# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-04-28T19:45:52+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Organic & biomolecular chemistry') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1544171","7.659","0.0004","20.714","0.001","10.7415","0.0006","90","","92.162","0.003","90","","1702.91","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18.5 H25 Cl O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","2","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0677","0.0444","","","0.0932","0.101","","","","","","1.033","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544172","28.082","0.004","9.2623","0.0011","12.2258","0.0016","90","","99.923","0.007","90","","3132.4","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C152 H208 O16 -","8","2","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0483","0.0384","","","0.0984","0.1063","","","","","","1.021","","","","has coordinates","188283","2020-10-21","18:00:00",""
"1544173","5.917","0.0003","11.503","0.0006","12.0635","0.0006","90","","98.153","0.002","90","","812.78","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","1","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0376","0.0353","","","0.0917","0.0935","","","","","","1.034","","","","has coordinates","188283","2020-10-21","18:00:00",""
"1544174","6.4809","0.0007","9.8124","0.0013","21.726","0.002","90","","90","","90","","1381.6","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0749","0.0493","","","0.0855","0.0949","","","","","","1.006","","","","has coordinates","188283","2020-10-21","18:00:00",""
"1544175","8.424","0.005","9.093","0.007","12.323","0.007","71.63","0.02","89.35","0.02","74.44","0.03","860.2","1","293","2","293","2","","","","","","","Salvia miltiorrhiza Bge.","3","P -1","-P 1","2","DS-1","miltiolactone A","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Li, Ling-Zhi; Liang, Xiao; Sun, Xue; Qi, Xiao-Li; Wang, Jian; Zhao, Qing-Chun; Song, Shao-Jiang","Bioactive norditerpenoids and neolignans from the roots of salvia miltiorrhiza.","Organic & biomolecular chemistry","2016","14","42","10050","10057","10.1039/c6ob01784c","","","0.71073","MoKα","","0.0641","0.0458","","","0.1268","0.1355","","","","","","1.118","","","","has coordinates","188309","2020-10-21","18:00:00",""
"1546832","8.6241","0.0004","12.8186","0.0006","18.8093","0.0011","90","","94.972","0.005","90","","2071.52","0.18","297.4","","297.4","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","","Luo, Wenjun; Hu, Haiwen; Nian, Sanfei; Qi, Liang; Ling, Fei; Zhong, Weihui","Phosphine-catalyzed [3 + 2] annulation reaction: highly regio- and diastereoselective synthesis of 2-azaspiro[4.4]nonene-1,3-diones","Organic & Biomolecular Chemistry","2017","15","36","7523","7526","10.1039/C7OB01957B","","","0.71073","MoKα","","0.0902","0.0527","","","0.1261","0.1497","","","","","","1.022","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1549028","7.5979","0.0005","14.0001","0.001","19.629","0.0012","90","","90","","90","","2088","0.2","170.8","","170.8","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Br2 O2 -","- C23 H26 Br2 O2 -","- C92 H104 Br8 O8 -","4","1","","Chang, Shirui; Wang, Lei; Lin, Xufeng","Synthesis and application of a new hexamethyl-1,1'-spirobiindane-based chiral bisphosphine (HMSI-PHOS) ligand in asymmetric allylic alkylation.","Organic & biomolecular chemistry","2018","16","13","2239","2247","10.1039/c8ob00279g","","","0.71073","MoKα","","0.0443","0.0354","","","0.0781","0.0832","","","","","","1.017","","","","has coordinates","230785","2020-10-21","18:00:00",""
"1549215","18.3692","0.0007","13.9179","0.0005","18.6682","0.0009","90","","107.269","0.005","90","","4557.6","0.3","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dimethyl 2-tert-butyl-1-isopentyl-4-phenyl-2H-pyridine-5,6-dicarboxylate","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C192 H264 N8 O32 -","8","2","","Shehzadi, Syeda Aaliya; Vande Velde, Christophe M. L.; Saeed, Aamer; Abbaspour Tehrani, Kourosch","Synthesis of highly functionalized 1,6-dihydropyridines via the Zn(OTf)<sub>2</sub>-catalyzed three-component cascade reaction of aldimines and two alkynes (IA<sup>2</sup>-coupling).","Organic & biomolecular chemistry","2018","16","17","3241","3247","10.1039/c8ob00195b","","x-ray","1.54184","CuKα","","0.0815","0.0543","","","0.1332","0.1524","","","","","","1.018","","","","has coordinates","230709","2020-10-21","18:00:00",""
"1549216","11.9792","0.0006","12.1131","0.0005","13.4962","0.0007","94.97","0.004","103.881","0.004","109.494","0.004","1762.21","0.16","99.96","0.1","99.96","0.1","","","","","","","","4","P -1","-P 1","2","","methyl-2-(tert-butyl)-4-phenyl-1-propyl-1,2 dihydropyridine-3-carboxylate'","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","2","","Shehzadi, Syeda Aaliya; Vande Velde, Christophe M. L.; Saeed, Aamer; Abbaspour Tehrani, Kourosch","Synthesis of highly functionalized 1,6-dihydropyridines via the Zn(OTf)<sub>2</sub>-catalyzed three-component cascade reaction of aldimines and two alkynes (IA<sup>2</sup>-coupling).","Organic & biomolecular chemistry","2018","16","17","3241","3247","10.1039/c8ob00195b","","x-ray","1.54184","CuKα","","0.0517","0.043","","","0.113","0.122","","","","","","1.023","","","","has coordinates","230709","2020-10-21","18:00:00",""
"1549217","17.6414","0.0012","17.596","0.0012","17.5732","0.0011","90","","103.004","0.002","90","","5315.1","0.6","120","","119.97","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 Cl N2 O2 S -","- C32 H27 Cl N2 O2 S -","- C256 H216 Cl8 N16 O16 S8 -","8","1","","Bao, Ming; Lu, Wei; Su, Han; Qiu, Lihua; Xu, Xinfang","A convergent formal [4 + 2] cycloaddition of 1,6-diynes and benzyl azides: construction of spiro-polyheterocycles.","Organic & biomolecular chemistry","2018","16","17","3258","3265","10.1039/c8ob00735g","","","0.71073","MoKα","","0.1351","0.0565","","","0.1267","0.184","","","","","","1.108","","","","has coordinates","230708","2020-10-21","18:00:00",""
"1549221","21.348","0.004","9.871","0.002","17.745","0.004","90","","92.423","0.005","90","","3736","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C192 H144 N16 O16 -","8","1","","Kumari, Santosh; Shakoor, S. M. Abdul; Khullar, Sadhika; Mandal, Sanjay K.; Sakhuja, Rajeev","An unprecedented tandem synthesis of fluorescent coumarin-fused pyrimidines via copper-catalyzed cross-dehydrogenative C(sp<sup>3</sup>)-N bond coupling.","Organic & biomolecular chemistry","2018","16","17","3220","3228","10.1039/c8ob00586a","","","0.71073","MoKα","","0.073","0.046","","","0.1064","0.1199","","","","","","1.024","","","","has coordinates","230710","2020-10-21","18:00:00",""
"1549719","9.662","0.003","15.701","0.005","14.746","0.005","90","","94.165","0.005","90","","2231.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O9 -","- C24 H21 N O9 -","- C96 H84 N4 O36 -","4","1","","Mal, Kajal; Naskar, Barnali; Mondal, Animesh; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Keya; Mukhopadhyay, Chhanda","Dihydroindeno[1,2-b]pyrroles: new Al<sup>3+</sup> selective off-on chemosensors for bio-imaging in living HepG2 cells.","Organic & biomolecular chemistry","2018","16","32","5920","5931","10.1039/c8ob01411f","","","0.71073","MoKα","","0.1117","0.0536","","","0.1358","0.1697","","","","","","0.983","","","","has coordinates","230632","2020-10-21","18:00:00",""
"1552259","8.082","0.004","5.884","0.002","19.02","0.008","90","","101.21","0.006","90","","887.2","0.7","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl N O2 -","- C10 H6 Cl N O2 -","- C40 H24 Cl4 N4 O8 -","4","1","","Wang, Qiaotian; Feng, Xiangqing; Meng, Wei; Du, Haifeng","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed divergent cyanosilylations of chromones dependent on temperature.","Organic & biomolecular chemistry","2019","17","36","8354","8357","10.1039/c9ob01710k","","","0.71073","MoKα","","0.0434","0.0411","","","0.0934","0.0947","","","","","","1.157","","","","has coordinates,has disorder","225268","2020-10-21","18:00:00",""
"1552260","10.406","0.003","9.108","0.002","10.949","0.003","90","","104.637","0.004","90","","1004","0.5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl N O2 -","- C11 H8 Cl N O2 -","- C44 H32 Cl4 N4 O8 -","4","1","","Wang, Qiaotian; Feng, Xiangqing; Meng, Wei; Du, Haifeng","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed divergent cyanosilylations of chromones dependent on temperature.","Organic & biomolecular chemistry","2019","17","36","8354","8357","10.1039/c9ob01710k","","","0.71073","MoKα","","0.037","0.0358","","","0.0943","0.0954","","","","","","1.101","","","","has coordinates","225268","2020-10-21","18:00:00",""
"1557297","11.2231","0.0013","8.1552","0.0009","11.9835","0.0014","90","","115.45","0.005","90","","990.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N3 O5 -","- C23 H19 N3 O5 -","- C46 H38 N6 O10 -","2","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Bhat, Ramakrishna G.","Access to highly enantioselective and diastereoselective spirooxindole dihydrofuran fused pyrazolones.","Organic & biomolecular chemistry","2020","18","9","1794","1799","10.1039/d0ob00007h","","","1.54178","CuKα","","0.0421","0.0368","","","0.0889","0.0954","","","","","","1.071","","","","has coordinates","257911","2020-10-21","18:00:00",""
"1560013","5.2406","0.0007","6.5334","0.0008","31.137","0.004","90","","91.691","0.005","90","","1065.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","0.5","","Goudappagouda, ?; Nidhankar, Aakash D.; Nayak, Rashmi A.; Santhosh Babu, Sukumaran","Aggregation-induced phosphorescence of an anthraquinone based emitter.","Organic & biomolecular chemistry","2021","19","5","1004","1008","10.1039/d0ob02505d","","","0.71073","MoKα","","0.1008","0.0708","","","0.1768","0.1926","","","","","","1.099","","","","has coordinates","262709","2021-03-05","02:23:44",""
"1562756","11.746","0.002","12.121","0.002","20.783","0.004","90","","90","","90","","2958.9","0.9","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N3 Ni O3 -","- C34 H37 N3 Ni O3 -","- C136 H148 N12 Ni4 O12 -","4","1","","Gugkaeva, Zalina T.; Smol'yakov, Alexander F.; Maleev, Victor I.; Larionov, Vladimir A.","A general asymmetric synthesis of artificial aliphatic and perfluoroalkylated α-amino acids by Luche's cross-electrophile coupling reaction.","Organic & biomolecular chemistry","2021","19","24","5327","5332","10.1039/d1ob00805f","","","0.71073","MoKα","","0.0638","0.0445","","","0.0944","0.103","","","","","","1.02","","","","has coordinates","267227","2021-07-05","18:10:29",""
"1562757","10.1084","0.0004","12.8143","0.0005","21.4068","0.0009","90","","90","","90","","2772.87","0.19","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N3 Ni O3 -","- C31 H33 N3 Ni O3 -","- C124 H132 N12 Ni4 O12 -","4","1","","Gugkaeva, Zalina T.; Smol'yakov, Alexander F.; Maleev, Victor I.; Larionov, Vladimir A.","A general asymmetric synthesis of artificial aliphatic and perfluoroalkylated α-amino acids by Luche's cross-electrophile coupling reaction.","Organic & biomolecular chemistry","2021","19","24","5327","5332","10.1039/d1ob00805f","","","0.71073","MoKα","","0.0314","0.028","","","0.0709","0.073","","","","","","1.033","","","","has coordinates","267227","2021-07-05","18:10:29",""
"1567143","10.087","0.003","24.117","0.007","10.137","0.003","90","","119.385","0.008","90","","2148.7","1.1","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-(4-Bromobenzylidene)-4-((4-bromophenyl)ethynyl)-4-cyclopropyl-5-oxaspiro[2.4]heptan-7-one","","- C24 H18 Br2 O2 -","- C24 H18 Br2 O2 -","- C96 H72 Br8 O8 -","4","1","","Samultceva, Sofia O.; Dvorko, Marina Yu.; Shabalin, Dmitrii A.; Ushakov, Igor’ A.; Vashchenko, Alexander V.; Schmidt, Elena Yu.; Trofimov, Boris A.","Regio- and stereoselective base-catalyzed assembly of 6-methylene-5-oxaspiro[2.4]heptanones from alkynyl cyclopropyl ketones","Organic & Biomolecular Chemistry","2022","20","26","5325","5333","10.1039/D2OB00854H","","","0.71073","MoKα","","0.1971","0.0694","","","0.1007","0.127","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:53",""
"7101000","13.0132","0.001","8.6004","0.0007","14.162","0.0011","90","","91.558","0.002","90","","1584.4","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Clarke, Paul A.; Martin, William H. C.; Hargreaves, Jason M.; Wilson, Claire; Blake, Alexander J.","The one-pot, multi-component construction of highly substituted tetrahydropyran-4-ones using the Maitland–Japp reaction","Organic & Biomolecular Chemistry","2005","3","19","3551","","10.1039/b508252h","","","","","","","","","","","","","","","","","","","","","has coordinates","282904","2023-04-28","18:18:01",""
"7101001","5.5429","0.0005","9.5351","0.0008","15.1955","0.0013","82.937","0.002","85.273","0.002","77.19","0.002","775.9","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Clarke, Paul A.; Martin, William H. C.; Hargreaves, Jason M.; Wilson, Claire; Blake, Alexander J.","The one-pot, multi-component construction of highly substituted tetrahydropyran-4-ones using the Maitland–Japp reaction","Organic & Biomolecular Chemistry","2005","3","19","3551","","10.1039/b508252h","","","","","","","","","","","","","","","","","","","","","has coordinates","282904","2023-04-28","18:18:02",""
"7150000","5.773","0.001","22.641","0.003","10.86","0.02","90","","105.38","0.002","90","","1369","3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C22 H31 N O15 -","- C22 H31 N O15 -","- C44 H62 N2 O30 -","2","1","","Pritchard, Robin G.; Stoodley, Richard J.; Yuen, Wai-Hung","Studies related to carba-pyranoses: synthesis of acetylated derivatives of 4-amino-2,4-dideoxy-3-O-(beta-D-glucopyranosyl)-beta-L-(and beta-D-) altrocarba-pyranose from a D-glucose template.","Organic & biomolecular chemistry","2005","3","1","162","171","10.1039/b410556g","","x-ray","0.71069","MoKα","","0.1852","0.0617","","","0.0844","0.1141","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150001","5.356","0.002","6.688","0.002","16.787","0.007","90","","96.99","0.03","90","","596.9","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N O4 -","- C4 H5 N O4 -","- C16 H20 N4 O16 -","4","1","","Pritchard, Robin G.; Stoodley, Richard J.; Yuen, Wai-Hung","Studies related to carba-pyranoses: synthesis of acetylated derivatives of 4-amino-2,4-dideoxy-3-O-(beta-D-glucopyranosyl)-beta-L-(and beta-D-) altrocarba-pyranose from a D-glucose template.","Organic & biomolecular chemistry","2005","3","1","162","171","10.1039/b410556g","","x-ray","0.71073","MoKα","","0.0829","0.0534","","","0.1216","0.1404","","","","","","1.146","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150002","10.131","0.002","20.904","0.004","12.459","0.002","90","","92.53","0.03","90","","2636","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N3 O7 -","- C26 H35 N3 O7 -","- C104 H140 N12 O28 -","4","2","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.0439","0.0359","","","0.0845","0.0883","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150003","10.967","0.002","14.024","0.003","16.422","0.003","90","","90","","90","","2525.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N3 O7 -","- C24 H33 N3 O7 -","- C96 H132 N12 O28 -","4","1","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.1221","0.0647","","","0.1538","0.1809","","","","","","0.947","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150004","9.491","0.002","9.73","0.002","28.504","0.006","90","","90","","90","","2632.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 N3 O7 -","- C26 H37 N3 O7 -","- C104 H148 N12 O28 -","4","1","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.0592","0.0358","","","0.0665","0.0737","","","","","","0.948","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150005","20.362","0.002","7.2285","0.0013","10.2891","0.0014","90","","90","","90","","1514.4","0.4","175","2","175","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C20 H10 Ag Cl O4 -","- C20 H10 Ag Cl O4 -","- C80 H40 Ag4 Cl4 O16 -","4","0.5","","Elliott, Eric L.; Hernández, Gerardo A; Linden, Anthony; Siegel, Jay S.","Anion mediated structural motifs in silver(I) complexes with corannulene.","Organic & biomolecular chemistry","2005","3","3","407","413","10.1039/b411987h","","","0.71073","MoKα","","0.0818","0.0597","","","0.1483","0.1632","","","","","","1.067","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150006","12.6903","0.0015","22.206","0.002","12.8975","0.0017","90","","107.637","0.008","90","","3463.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H20 Ag2 F6 O6 S2 -","- C42 H20 Ag2 F6 O6 S2 -","- C168 H80 Ag8 F24 O24 S8 -","4","1","","Elliott, Eric L.; Hernández, Gerardo A; Linden, Anthony; Siegel, Jay S.","Anion mediated structural motifs in silver(I) complexes with corannulene.","Organic & biomolecular chemistry","2005","3","3","407","413","10.1039/b411987h","","","0.71073","MoKα","","0.0637","0.0496","","","0.1319","0.1609","","","","","","1.08","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150007","9.5741","0.0002","9.6621","0.0002","10.6735","0.0002","98.3042","0.0013","110.394","0.0013","101.488","0.0009","882.01","0.03","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 Ag2 B2 F8 -","- C20 H10 Ag2 B2 F8 -","- C40 H20 Ag4 B4 F16 -","2","1","","Elliott, Eric L.; Hernández, Gerardo A; Linden, Anthony; Siegel, Jay S.","Anion mediated structural motifs in silver(I) complexes with corannulene.","Organic & biomolecular chemistry","2005","3","3","407","413","10.1039/b411987h","","","0.71073","MoKα","","0.04","0.0301","","","0.0705","0.0752","","","","","","1.025","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7150008","3.9763","0.0003","11.8245","0.001","24.323","0.002","90","","94.353","0.007","90","","1140.31","0.16","122","","","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","","Pittelkow, Michael; Boas, Ulrik; Jessing, Mikkel; Jensen, Knud J.; Christensen, Jørn B","Role of the peri-effect in synthesis and reactivity of highly substituted naphthaldehydes: a novel backbone amide linker for solid-phase synthesis.","Organic & biomolecular chemistry","2005","3","3","508","514","10.1039/b412971g","","","0.71073","MoKα","","0.1029","0.0587","","","0.1606","0.19","","","","","","1.255","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150009","18.985","0.003","3.9181","0.0006","14.504","0.002","90","","103.443","0.011","90","","1049.3","0.3","122","","","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Pittelkow, Michael; Boas, Ulrik; Jessing, Mikkel; Jensen, Knud J.; Christensen, Jørn B","Role of the peri-effect in synthesis and reactivity of highly substituted naphthaldehydes: a novel backbone amide linker for solid-phase synthesis.","Organic & biomolecular chemistry","2005","3","3","508","514","10.1039/b412971g","","","0.71073","MoKα","","0.0875","0.0529","","","0.1476","0.1729","","","","","","1.176","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150010","9.766","0.003","9.337","0.002","13.7672","0.0017","90","","102.381","0.017","90","","1226.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 N O -","- C13 H23 N O -","- C52 H92 N4 O4 -","4","1","","Rejzek, Martin; Stockman, Robert A.; Hughes, David L.","Combining two-directional synthesis and tandem reactions: an efficient strategy for the total syntheses of (+/-)-hippodamine and (+/-)-epi-hippodamine.","Organic & biomolecular chemistry","2005","3","1","73","83","10.1039/b413052a","","","0.71069","Mo-Kα","","0.0814","0.047","","","0.1114","0.1362","","","","","","1.048","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150011","7.66","0.002","14.61","0.003","10.367","0.002","90","","91.13","0.03","90","","1160","0.4","140","1","140","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 N O -","- C13 H23 N O -","- C52 H92 N4 O4 -","4","1","","Rejzek, Martin; Stockman, Robert A.; Hughes, David L.","Combining two-directional synthesis and tandem reactions: an efficient strategy for the total syntheses of (+/-)-hippodamine and (+/-)-epi-hippodamine.","Organic & biomolecular chemistry","2005","3","1","73","83","10.1039/b413052a","","","0.71073","Mo-Kα","","0.0422","0.0389","","","0.1015","0.1034","","","","","","1.067","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150012","10.263","0.001","16.066","0.002","16.779","0.002","82.544","0.005","85.022","0.006","80.666","0.006","2700.8","0.5","173.1","","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C149 H116 N4 Zn -","- C100 H60 N4 Zn -","- C100 H60 N4 Zn -","1","0.5","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0554","0.0484","","","0.1467","0.1515","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150013","22.627","0.0013","22.627","0.0013","12.7634","0.0008","90","","90","","90","","6534.6","0.7","123.1","","123","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C162 H107 Br9 N4 -","- C132 H82 Br4 N4 -","- C264 H164 Br8 N8 -","2","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.1168","0.089","","","0.2291","0.2378","","","","","","1.242","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150014","22.4739","0.0008","22.4739","0.0008","12.8564","0.0003","90","","90","","90","","6493.5","0.4","123.2","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C168 H110 Cl10 N4 Zn -","- C108 H60 N4 Zn -","- C216 H120 N8 Zn2 -","2","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0851","0.0684","","","0.1946","0.1987","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150015","19.39","0.001","19.39","0.001","36.077","0.002","90","","90","","90","","13563.9","1.2","173.2","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C180 H134 N4 -","- C180 H134 N4 -","- C720 H536 N16 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","","0.065","","","","0.1587","","","","","","1.117","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150016","19.3904","0.001","19.3904","0.001","36.077","0.002","90","","90","","90","","13564.5","1.2","173","2","173","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C180 H134 N4 -","- C108 H62 N4 -","- C432 H248 N16 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0789","0.0658","","","0.191","0.198","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150017","19.72","0.001","19.72","0.001","35.239","0.004","90","","90","","90","","13703.7","1.8","173.2","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C168 H134 Cl8 N4 O4 -","- C168 H134 Cl8 N4 O4 -","- C672 H536 Cl32 N16 O16 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","","0.0968","","","","0.2407","","","","","","1.214","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150018","19.612","0.003","19.612","0.002","36.445","0.008","90","","90","","90","","14018","4","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C180 H132 N4 Zn -","- C180 H132 N4 Zn -","- C720 H528 N16 Zn4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.1355","0.0592","","","0.1342","0.1589","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150019","19.2176","0.0008","19.2176","0.0008","36.142","0.002","90","","90","","90","","13347.8","1.1","123.2","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C180 H132 N4 Ni -","- C180 H132 N4 Ni -","- C720 H528 N16 Ni4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","","0.0697","","","","0.173","","","","","","1.412","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150020","19.6502","0.001","19.6502","0.001","35.387","0.003","90","","90","","90","","13664","1.5","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C168 H132 Cl8 N4 Ni O4 -","- C108 H60 N4 Ni -","- C432 H240 N16 Ni4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.111","0.0747","","","0.1976","0.2036","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150021","19.2176","0.0008","19.2176","0.0008","36.142","0.002","90","","90","","90","","13347.8","1.1","123.1","","123","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C180 H132 N4 Ni -","- C132 H84 N4 Ni -","- C528 H336 N16 Ni4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0743","0.0614","","","0.164","0.17","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150022","16.2354","0.0018","18.758","0.003","19.2789","0.0017","78.364","0.009","63.381","0.006","88.391","0.01","5128","1.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C127 H88 Cl14 N4 -","- C114 H68 N4 -","- C228 H136 N8 -","2","1","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.1245","0.0844","","","0.1909","0.2006","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150023","8.0407","0.0008","11.7673","0.0011","11.2852","0.001","90","","108.476","0.002","90","","1012.74","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 O6 -","- C7 H6 N4 O6 -","- C28 H24 N16 O24 -","4","1","","Katritzky, Alan R.; Scriven, Eric F. V.; Majumder, Suman; Akhmedova, Rena G.; Vakulenko, Anatoliy V.; Akhmedov, Novruz G.; Murugan, Ramiah; Abboud, Khalil A.","Preparation of nitropyridines by nitration of pyridines with nitric acid.","Organic & biomolecular chemistry","2005","3","3","538","541","10.1039/b413285h","","","0.71073","MoKα","","0.0496","0.0358","","","0.102","0.1057","","","","","","1.109","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150024","16.7651","0.0015","29.395","0.003","24.507","0.002","90","","95.993","0.007","90","","12011.3","1.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C64 H64 N4 O12 -","- C64 H64 N4 O12 -","- C512 H512 N32 O96 -","8","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.2104","0.0948","","","0.2458","0.3033","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150025","14.1953","0.0007","14.6587","0.0007","15.3671","0.0007","111.121","0.004","92.666","0.004","99.425","0.004","2923.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H64 N4 O12 -","- C64 H64 N4 O12 -","- C128 H128 N8 O24 -","2","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.0605","0.0511","","","0.1427","0.1492","","","","","","1.047","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150026","13.4904","0.0006","14.1373","0.0007","17.7409","0.0008","83.459","0.004","69.464","0.004","76.454","0.004","3078.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H70 Cl2 N4 O12 -","- C67 H70 Cl2 N4 O12 -","- C134 H140 Cl4 N8 O24 -","2","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.106","0.0896","","","0.2944","0.3124","","","","","","1.29","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150027","10.3423","0.0007","13.161","0.0009","16.5605","0.0011","101.868","0.005","96.988","0.005","91.968","0.005","2185.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H58 N2 O8 -","- C48 H58 N2 O8 -","- C96 H116 N4 O16 -","2","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.0503","0.0388","","","0.1039","0.1077","","","","","","1.045","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150028","5.5369","0.0004","8.5297","0.0008","27.769","0.003","90","","90","","90","","1311.5","0.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Cobb, Alexander J. A.; Shaw, David M.; Longbottom, Deborah A.; Gold, Johan B.; Ley, Steven V.","Organocatalysis with proline derivatives: improved catalysts for the asymmetric Mannich, nitro-Michael and aldol reactions.","Organic & biomolecular chemistry","2005","3","1","84","96","10.1039/b414742a","","","0.71073","MoKα","","0.0855","0.0649","","","0.1626","0.1726","","","","","","1.17","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150029","6.4273","0.0003","15.6636","0.0008","18.992","0.0009","90","","90","","90","","1912.01","0.16","100","1","100","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 O S -","- C27 H20 O S -","- C108 H80 O4 S4 -","4","1","","ter Wiel, Matthijs K. J.; Vicario, Javier; Davey, Stephen G.; Meetsma, Auke; Feringa, Ben L.","New procedure for the preparation of highly sterically hindered alkenes using a hypervalent iodine reagent.","Organic & biomolecular chemistry","2005","3","1","28","30","","","","0.71073","MoKα","","0.0298","0.0292","","","0.0767","0.0773","","","","","","0.956","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150030","10.5744","0.0004","9.1217","0.0003","11.7111","0.0004","90","","115.825","0.002","90","","1016.8","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","stb8b1","","","- C11 H14 O2 S -","- C11 H14 O2 S -","- C44 H56 O8 S4 -","4","1","","Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia","Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.","Organic & biomolecular chemistry","2005","3","3","404","406","10.1039/b415529g","","","0.71073","MoKα","","0.0522","0.0418","","","0.0963","0.1014","","","","","","1.181","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150031","7.5387","0.0005","6","0.0005","11.4544","0.0008","90","","91.308","0.005","90","","517.97","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","stb8b2","","","- C11 H14 O2 S -","- C11 H14 O2 S -","- C22 H28 O4 S2 -","2","1","","Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia","Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.","Organic & biomolecular chemistry","2005","3","3","404","406","10.1039/b415529g","","","0.71073","MoKα","","0.1133","0.11","","","0.2717","0.2753","","","","","","1.179","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150032","20.9699","0.0009","20.9699","0.0009","11.2756","0.0006","90","","90","","90","","4958.3","0.4","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","pt1812","","","- C12 H19 N O2 S -","- C12 H19 N O2 S -","- C192 H304 N16 O32 S16 -","16","1","","Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia","Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.","Organic & biomolecular chemistry","2005","3","3","404","406","10.1039/b415529g","","","0.71073","MoKα","","0.0866","0.0434","","","0.0804","0.093","","","","","","1.003","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150033","7.4377","0.0002","8.3035","0.0002","9.2515","0.0003","73.265","0.002","67.994","0.002","71.219","0.002","492.34","0.03","100","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N2 O5 -","- C8 H12 N2 O5 -","- C16 H24 N4 O10 -","2","1","","Hibbs, David E.; Overgaard, Jacob; Howard, Siân T; Nguyen, Thanh Ha","Experimental charge density of a potential DHO synthetase inhibitor: dimethyl-trans-2-oxohexahydro-pyrimidine-4,6-dicarboxylate.","Organic & biomolecular chemistry","2005","3","3","441","447","10.1039/b416118a","","","0.71069","MoKα","","0.0584","0.051","","","0.1431","0.1529","","","","","","1.063","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150034","6.6491","0.0004","6.8227","0.0004","25.8973","0.0014","90","","90","","90","","1174.83","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 I O2 -","- C12 H13 I O2 -","- C48 H52 I4 O8 -","4","1","","Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian","Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.","Organic & biomolecular chemistry","2005","3","5","809","815","10.1039/b416179c","","","0.71073","MoKα","","0.0158","0.015","","","0.0336","0.0338","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150035","4.9818","0.0005","9.4157","0.001","37.792","0.004","90","","90","","90","","1772.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian","Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.","Organic & biomolecular chemistry","2005","3","5","809","815","10.1039/b416179c","","","0.71073","MoKα","","0.0618","0.0432","","","0.0963","0.1036","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150036","7.997","0.002","12.221","0.002","11.812","0.002","90","","100.647","0.004","90","","1134.5","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","3-(Diethoxy-phosphoryl)-3-methyl-4-oxo-2-(toluene-4-sulfonylamino)- pentanoic acid ethyl ester","","- C19 H30 N O8 P S -","- C19 H30 N O8 P S -","- C38 H60 N2 O16 P2 S2 -","2","1","","Kjaersgaard, Anne; Jørgensen, Karl Anker","Catalytic asymmetric addition of beta-keto phosphonates to an activated imine‒formation of optically active functionalized phosphonate alpha-amino acid derivatives.","Organic & biomolecular chemistry","2005","3","5","804","808","10.1039/b416294c","","","0.71073","MoKα","","","0.033","","","","0.048","","","","","","1.188","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150037","8.3773","0.0002","9.1657","0.0003","12.7261","0.0004","94.81","0.001","96.374","0.001","108.948","0.001","910.99","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","","- C24 H21 O3 -","- C24 H21 O3 -","- C48 H42 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0879","0.0567","","","0.1596","0.2074","","","","","","1.165","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150038","8.3762","0.0002","9.1588","0.0003","12.7193","0.0004","94.893","0.001","96.401","0.001","108.872","0.001","909.89","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","","- C24 H21 O3 -","- C24 H21 O3 -","- C48 H42 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.133","0.1137","","","0.3574","0.3761","","","","","","1.711","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150039","8.3719","0.0004","9.1093","0.0005","12.6935","0.0007","97.482","0.002","103.946","0.002","109.425","0.003","862.3","0.08","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","","- C23 H19 O3 -","- C23 H19 O3 -","- C46 H38 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.2241","0.2028","","","0.5102","0.5249","","","","","","2.409","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150040","8.3763","0.0001","9.0965","0.0002","12.6943","0.0003","97.485","0.001","104.164","0.001","109.388","0.001","860.68","0.03","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","","- C23 H19 O3 -","- C23 H19 O3 -","- C46 H38 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.089","0.051","","","0.1457","0.2044","","","","","","1.107","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150041","8.3757","0.0001","9.1004","0.0001","12.6928","0.0002","97.541","0.001","104.053","0.001","109.405","0.001","861.14","0.02","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","","- C23 H19 O3 -","- C23 H19 O3 -","- C46 H38 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0486","0.0396","","","0.1032","0.1087","","","","","","1.048","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150042","8.3654","0.0001","9.0652","0.0001","12.873","0.0003","96.696","0.001","94.048","0.001","109.717","0.001","906.38","0.03","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol o-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol o-xylene clathrate","","- C24 H21 O3 -","- C24 H16 O3 -","- C48 H32 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.099","0.0904","","","0.2273","0.2341","","","","","","1.071","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150043","8.4902","0.0001","9.1923","0.0001","12.9946","0.0002","95.62","0.001","94.84","0.001","109.66","0.001","942.97","0.02","283","","283","","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","","- C24 H21 O3 -","- C24 H16 O3 -","- C48 H32 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0904","0.0746","","","0.2286","0.2463","","","","","","1.085","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150044","8.415","0.0002","18.2852","0.0003","12.7741","0.0004","95.637","0.001","94.919","0.001","109.717","0.001","1826.48","0.08","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","","- C48 H42 O6 -","- C48 H42 O6 -","- C96 H84 O12 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0914","0.0485","","","0.1133","0.13","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150045","10.197","0.005","16.139","0.008","10.043","0.005","90","","114.16","0.006","90","","1508","1.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 N2 O4 -","- C35 H36 N2 O4 -","- C70 H72 N4 O8 -","2","1","","Kawabata, Takeo; Majumdar, Swapan; Tsubaki, Kazunori; Monguchi, Daiki","Memory of chirality in intramolecular conjugate addition of enolates: a novel access to nitrogen heterocycles with contiguous quaternary and tertiary stereocenters.","Organic & biomolecular chemistry","2005","3","9","1609","1611","10.1039/b416535g","","","0.7107","MoKα","","0.0875","0.0621","","","0.1216","0.1359","","","","","","1.103","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150046","8.964","0.006","6.265","0.004","11.241","0.008","90","","107.109","0.018","90","","603.4","0.7","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,3'-Biquinoline","3,3'-Biquinoline","","- C18 H12 N2 -","- C18 H12 N2 -","- C36 H24 N4 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.1043","0.0433","","","0.0907","0.1035","","","","","","0.843","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150047","8.557","0.004","6.33","0.003","11.841","0.005","90","","106.689","0.006","90","","614.4","0.5","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7","2,2'-biquinazoline","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0802","0.0547","","","0.1184","0.1328","","","","","","1.026","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150048","5.779","0.003","5.35","0.003","18.906","0.01","90","","91.466","0.007","90","","584.3","0.5","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","8","2,2'-biquinoxaline","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0438","0.0359","","","0.1067","0.1112","","","","","","1.064","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150049","22.523","0.017","3.912","0.003","6.979","0.005","90","","106.14","0.01","90","","590.7","0.8","163","2","163","2","","","","","","","","3","C 1 2 1","C 2y","5","4,4'-Biquinazoline","4,4'-Biquinazoline","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0608","0.0457","","","0.1045","0.1082","","","","","","0.965","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150050","4.627","0.001","16.48","0.002","7.004","0.001","90","","94.34","0.01","90","","532.54","0.15","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,2'-Bibenzoxazole","2,2'-Bibenzoxazole","","- C14 H8 N2 O2 -","- C14 H8 N2 O2 -","- C28 H16 N4 O4 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0656","0.0441","","","0.1071","0.1126","","","","","","0.92","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150051","8.993","0.001","5.988","0.001","11.445","0.002","90","","110.87","0.01","90","","575.88","0.16","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2'-Bibenzothiazole","2,2'-Bibenzothiazole","","- C14 H8 N2 S2 -","- C14 H8 N2 S2 -","- C28 H16 N4 S4 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0483","0.0342","","","0.0841","0.0876","","","","","","0.928","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150052","7.277","0.003","7.639","0.003","19.94","0.008","90","","90","","90","","1108.4","0.8","168","2","168","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,1'-bibenzotriazole","1,1'-bibenzotriazole","","- C12 H8 N6 -","- C12 H8 N6 -","- C48 H32 N24 -","4","1","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0781","0.0558","","","0.1233","0.1331","","","","","","1.146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150053","13.3374","0.0017","7.6406","0.001","15.5158","0.0019","90","","98.311","0.004","90","","1564.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","28-epi-cyasterone 2","","","- C29 H50 O11 -","- C29 H44 O11 -","- C58 H88 O22 -","2","1","","Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori","Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.","Organic & biomolecular chemistry","2005","3","7","1227","1232","10.1039/b416868b","","","1.54184","CuKα","","0.2112","0.1447","","","0.3689","0.4073","","","","","","1.303","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150054","13.6542","0.0011","7.7755","0.0004","15.7636","0.0012","90","","100.215","0.003","90","","1647.1","0.2","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","cyasterone 1","","","- C32 H56 O11 -","- C32 H56 O11 -","- C64 H112 O22 -","2","1","","Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori","Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.","Organic & biomolecular chemistry","2005","3","7","1227","1232","10.1039/b416868b","","","1.54184","CuKα","","0.0667","0.0647","","","0.1674","0.1693","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150055","22.845","0.004","11.858","0.002","7.188","0.001","90","","90","","90","","1947.2","0.5","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","1-Methyl-3-phenyl-5-(thienyl-2)-7,8- dimethoxypyrazolo(3,4)isoquinoline","1-Methyl-3-phenyl-5-(thienyl-2)-7,8-dimethoxypyrazolo[3,4]isoquinoline","","- C23 H19 N3 O2 S -","- C23 H19 N3 O2 S -","- C92 H76 N12 O8 S4 -","4","1","","Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.","A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.","Organic & biomolecular chemistry","2005","3","5","932","940","10.1039/b417002d","","","0.71073","MoKα","","0.0528","0.0392","","","0.0797","0.0847","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150056","7.086","0.001","10.791","0.003","12.85","0.002","104.16","0.02","105.87","0.02","95.86","0.01","901.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","1-methyl-3-phenyl-7,8-dimethoxypyrazolo(3,4-c)isoquinoline, acetonitile solvate","1-methyl-3-phenyl-7,8-dimethoxypyrazolo[3,4-c]isoquinoline, acetonitile solvate","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C42 H40 N8 O4 -","2","1","","Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.","A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.","Organic & biomolecular chemistry","2005","3","5","932","940","10.1039/b417002d","","","0.71073","MoKα","","0.0653","0.0404","","","0.0951","0.105","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150057","8.944","0.004","12.945","0.005","13.918","0.007","64.13","0.02","73.04","0.02","81","0.02","1386.1","1.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-(4-(dimethylamino)phenyl)-7,8-dimethoxypyrazolo(3,4- c)isoquinoline","5-{4-(dimethylamino)phenyl}- 7,8-dimethoxypyrazolo[3,4-c]isoquinoline","","- C35 H34 N4 O2 -","- C35 H34 N4 O2 -","- C70 H68 N8 O4 -","2","1","","Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.","A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.","Organic & biomolecular chemistry","2005","3","5","932","940","10.1039/b417002d","","","0.71073","MoKα","","0.1166","0.0505","","","0.0787","0.0932","","","","","","0.835","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150058","10.113","0.002","10.206","0.002","29.277","0.007","90","","90","","90","","3021.8","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 O2 -","- C40 H36 O2 -","- C160 H144 O8 -","4","1","","Huang, Jin-Wen; Shi, Min","Carbolithiation of gem-aryl disubstituted methylenecyclopropanes.","Organic & biomolecular chemistry","2005","3","3","399","400","10.1039/b417139j","","","0.71073","MoKα","","0.2113","0.0555","","","0.0742","0.1046","","","","","","0.635","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150059","19.3595","0.0013","8.8441","0.0006","16.7833","0.0011","90","","115.701","0.001","90","","2589.3","0.3","115","2","115","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Foot, Jonathan S.; Giblin, Gerard M. P.; Whitwood, A. C.; Taylor, R. J. K.","Unexpected Z-stereoselectivity in the Ramberg-Bäcklund reaction of diarylsulfones leading to cis-stilbenes: the effect of aryl substituents and application in the synthesis of the integrastatin nucleus.","Organic & biomolecular chemistry","2005","3","5","756","763","10.1039/b418426b","","","0.71073","MoKα","","0.0421","0.0383","","","0.1048","0.1087","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150060","9.2508","0.0009","9.313","0.0009","15.5363","0.0015","100.325","0.002","90.36","0.002","99.592","0.002","1297.5","0.2","115","2","115","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","2","","Foot, Jonathan S.; Giblin, Gerard M. P.; Whitwood, A. C.; Taylor, R. J. K.","Unexpected Z-stereoselectivity in the Ramberg-Bäcklund reaction of diarylsulfones leading to cis-stilbenes: the effect of aryl substituents and application in the synthesis of the integrastatin nucleus.","Organic & biomolecular chemistry","2005","3","5","756","763","10.1039/b418426b","","","0.71073","MoKα","","0.0713","0.0427","","","0.0917","0.1019","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150061","9.7754","0.0007","9.7754","0.0007","20.3627","0.0019","90","","90","","120","","1685.1","0.2","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C9 H12 N6 O4 -","- C9 H12 N6 O4 -","- C54 H72 N36 O24 -","6","1","","Lin, Wenqing; Li, Hong; Ming, Xin; Seela, Frank","1,N6-Etheno-7-deaza-2,8-diazaadenosine: syntheses, properties and conversion to 7-deaza-2,8-diazaadenosine.","Organic & biomolecular chemistry","2005","3","9","1714","1718","10.1039/b418849g","","","0.71073","MoKα","","0.0424","0.0396","","","0.1159","0.1207","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150062","10.0036","0.0007","27.0011","0.0018","12.1811","0.0008","90","","95.159","0.001","90","","3276.9","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-hydroxy-3,6,11-trimethyl-1,2,4a,13a-tetrahydro-5,12-dioxa- dibenzo(a,e)cyclo-nonan-13-one","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","4","","Lemiègre, Loïc; Stevens, Richard L.; Combret, Jean-Claude; Maddaluno, Jacques","Ring fission of chiral cyclic acetals plus intramolecular [4 + 2] cycloaddition: a sequential access to medium-size lactones. Application to the synthesis of carbasugars.","Organic & biomolecular chemistry","2005","3","7","1308","1318","10.1039/b419381d","","","0.71073","MoKα","","0.0581","0.045","","","0.0854","0.0901","","","","","","1.035","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150063","9.3969","0.0003","10.5034","0.0003","10.5516","0.0004","71.075","0.001","88.902","0.002","81.541","0.001","973.97","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Br N3 O -","- C22 H18 Br N3 O -","- C44 H36 Br2 N6 O2 -","2","1","","Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín","Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.","Organic & biomolecular chemistry","2005","3","7","1217","1226","10.1039/b500173k","","","0.7107","MoKα","","0.0409","0.0342","","","0.0812","0.085","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150064","25.8225","0.0003","10.7493","0.0002","15.627","0.0003","90","","117.694","0.001","90","","3840.74","0.12","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H24 N4 O -","- C21.5 H23.5 N4 O -","- C172 H188 N32 O8 -","8","1","","Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín","Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.","Organic & biomolecular chemistry","2005","3","7","1217","1226","10.1039/b500173k","","","0.7107","MoKα","","0.059","0.0519","","","0.1198","0.1259","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150065","5.7502","0.0001","29.873","0.001","9.1184","0.0003","90","","101.11","0.002","90","","1536.97","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","","Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín","Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.","Organic & biomolecular chemistry","2005","3","7","1217","1226","10.1039/b500173k","","","0.71073","MoKα","","0.1437","0.0587","","","0.1075","0.1347","","","","","","1.031","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150066","11.48","0.0003","12.8012","0.0004","28.1994","0.0008","90","","90","","90","","4144.1","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 Cu N4 O6 -","- C41 H56 Cu N4 O6 -","- C164 H224 Cu4 N16 O24 -","4","1","","Gottschaldt, Michael; Koth, Daniel; Görls, Helmar","Synthesis and crystal structure of a salen-type copper(II) complex derived from 3,5'-O-dimethyl-2',3'-diamino-2',3'-dideoxy-beta-D-xylo-uridine.","Organic & biomolecular chemistry","2005","3","7","1170","1171","10.1039/b500785b","","","0.71073","MoKα","","0.0775","0.0534","","","0.1039","0.1155","","","","","","1.065","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150067","5.7388","0.0001","9.4909","0.0001","38.243","0.0008","90","","90","","90","","2082.96","0.06","100","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 N O6 -","- C19 H33 N O6 -","- C76 H132 N4 O24 -","4","1","","Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam","Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues.","Organic & biomolecular chemistry","2005","3","9","1795","1800","10.1039/b501503k","","x-ray","0.71073","MoKα","","0.0715","0.043","","","0.098","0.1113","","","","","","1.044","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150068","8.7774","0.0004","8.3066","0.0004","13.4961","0.0008","90","","96.211","0.0017","90","","978.23","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H31 N O7 -","- C17 H31 N O7 -","- C34 H62 N2 O14 -","2","1","","Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam","Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues.","Organic & biomolecular chemistry","2005","3","9","1795","1800","10.1039/b501503k","","x-ray","0.71073","MoKα","","0.0491","0.0437","","","0.1123","0.1169","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150069","6.3217","0.0002","13.4551","0.0004","17.512","0.0005","90","","93.06","0.0016","90","","1487.43","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","(1R,5S,5S)-Spiro(6,6-dimethyl-bicyclo(3.1.1)heptane)-2,5-(5,6- dihydro-(1,3)dithiolo(4,5-b)(1,4)dithiine-2-thione)","(1R,5S,5S)-Spiro[6,6-dimethyl-bicyclo[3.1.1]heptane]-2,5- [5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione]","","- C13 H16 S5 -","- C13 H16 S5 -","- C52 H64 S20 -","4","2","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0682","0.0422","","","0.0989","0.1131","","","","","","0.82","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150070","7.2322","0.0002","9.3635","0.0002","11.3961","0.0003","90","","106.405","0.0011","90","","740.31","0.03","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","(4aR,5R,7S,8aS)-4a,5,6,7,8,8a-Hexahydro-5,7-methano-4a,6,6- trimethyl-1,3-dithiolo(4,5-b)-(1,4)benzodithiin-2-thione","(4aR,5R,7S,8aS)-4a,5,6,7,8,8a-Hexahydro-5,7-methano-4a,6,6-trimethyl- 1,3-dithiolo[4,5-b]-[1,4]benzodithiin-2-thione","","- C13 H16 S5 -","- C13 H16 S5 -","- C26 H32 S10 -","2","1","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0418","0.0386","","","0.091","0.0932","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150071","7.609","0.0001","9.789","0.0002","20.1711","0.0005","90","","90","","90","","1502.43","0.05","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(4aR,7R,8S,8aS)-4a,5,6,7,8,8a-Hexahydro-7,8-isopropano-4a- methyl-1,3-dithiolo (4,5-b)(1,4)benzodithiin-2-thione","(4aR,7R,8S,8aS)-4a,5,6,7,8,8a-Hexahydro-7,8-isopropano-4a-methyl-1,3-dithiolo [4,5-b][1,4]benzodithiin-2-thione","","- C13 H16 S5 -","- C13 H16 S5 -","- C52 H64 S20 -","4","1","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0283","0.0253","","","0.0594","0.0603","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150072","14.324","0.006","22.806","0.006","26.47","0.008","90","","97.2","0.03","90","","8579","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.26 H53.06 F6 N O12.27 P -","- C42.265 H52.795 F6 N O12.265 P -","- C338.12 H422.36 F48 N8 O98.12 P8 -","8","1","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","","0.71073","MoKα","","0.1119","0.0578","","","0.1477","0.1901","","","","","","0.962","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150073","10.3429","0.0007","12.6823","0.0009","13.1381","0.0009","83.774","0.001","72.711","0.001","77.938","0.001","1607.17","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 F6 K O12 P -","- C28 H36 F6 K O12 P -","- C56 H72 F12 K2 O24 P2 -","2","1","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","","0.71073","MoKα","","0.0466","0.0392","","","0.095","0.0988","","","","","","1.035","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150074","13.8926","0.0014","12.4235","0.0011","8.2043","0.0008","90","","105.243","0.009","90","","1366.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","HW-trans-24C8","","","- C28 H36 O12 -","- C28 H36 O12 -","- C56 H72 O24 -","2","0.5","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","x-ray","0.71073","MoKα","","0.0845","0.0649","","","0.1886","0.2109","","","","","","1.139","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150075","16.84","0.002","19.447","0.003","19.41","0.002","90","","91.429","0.011","90","","6354.6","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[K-trans24c8][PF6]","","","- C28 H36 F6 K O12 P -","- C28 H36 F6 K O12 P -","- C224 H288 F48 K8 O96 P8 -","8","1","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","","0.71073","MoKα","","0.0756","0.0585","","","0.1704","0.1926","","","","","","1.139","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150076","7.7237","0.0007","9.8885","0.0009","11.0929","0.001","81.444","0.002","70.937","0.002","89.529","0.002","791.12","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(cyclopentadienyl)-p-toluoyltitanium bromide","","","- C18 H17 Br O Ti -","- C18 H17 Br O Ti -","- C36 H34 Br2 O2 Ti2 -","2","1","","Han, Zhenfu; Fujioka, Takuma; Usugi, Shin-Ichi; Yorimitsu, Hideki; Shinokubo, Hiroshi; Oshima, Koichiro","A new method for the synthesis of acyltitanium complexes and their application to copper-mediated acylmetallation of carbon-carbon multiple bonds in aqueous media.","Organic & biomolecular chemistry","2005","3","9","1622","1623","10.1039/b503117f","","","0.71073","MoKα","","0.0417","0.0335","","","0.0892","0.0926","","","","","","0.98","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150077","6.9505","0.0008","28.848","0.003","7.3706","0.0008","90","","116.961","0.002","90","","1317.2","0.3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0512","0.041","","","0.0964","0.1006","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150078","5.1517","0.0014","11.726","0.003","18.705","0.005","90","","94.289","0.005","90","","1126.8","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O5 S -","- C10 H10 N2 O5 S -","- C40 H40 N8 O20 S4 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0746","0.0545","","","0.1061","0.1137","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150079","10.162","0.0008","21.4665","0.0017","5.435","0.0004","90","","90","","90","","1185.6","0.16","130","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H10 N2 O6 -","- C11 H10 N2 O6 -","- C44 H40 N8 O24 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.039","0.0375","","","0.0915","0.0924","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150080","11.503","0.002","7.7574","0.0016","12.737","0.003","90","","111.04","0.004","90","","1060.8","0.4","130","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0702","0.046","","","0.0923","0.0991","","","","","","0.94","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150081","11.1796","0.0017","7.2234","0.0011","12.745","0.002","90","","115.033","0.003","90","","932.5","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0783","0.0496","","","0.1028","0.1123","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150082","14.0459","0.0019","7.8502","0.0011","14.279","0.002","90","","115.424","0.002","90","","1422","0.3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0426","0.0379","","","0.1012","0.1037","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150083","10.3778","0.0008","12.0317","0.001","11.3503","0.0009","90","","104.395","0.002","90","","1372.73","0.19","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O5 S -","- C13 H14 N2 O5 S -","- C52 H56 N8 O20 S4 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.048","0.0381","","","0.0853","0.0888","","","","","","0.975","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150084","6.1596","0.0006","7.902","0.0008","24.235","0.002","90","","90","","90","","1179.59","0.19","130","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O7 -","- C10 H9 N3 O7 -","- C40 H36 N12 O28 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0433","0.0381","","","0.0793","0.0814","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150085","5.225","0.002","15.283","0.009","43.03","0.01","90","","90","","90","","3436","3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 N O5 -","- C41 H43 N O5 -","- C164 H172 N4 O20 -","4","1","","Masson, Géraldine; Philouze, Christian; Py, Sandrine","Cis-stereoselective SmI2-promoted reductive coupling of keto-nitrones: first synthesis of 1-epitrehazolamine.","Organic & biomolecular chemistry","2005","3","11","2067","2069","10.1039/b503981a","","","0.71073","MoKα","","0.0481","0.0481","","0.0516","","0.0516","","","1.839","","","1.839","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150086","11.2674","0.001","19.6076","0.0016","12.0348","0.001","90","","117.463","0.002","90","","2359.2","0.3","295","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O8 -","- C20 H32 O8 -","- C80 H128 O32 -","4","2","","Zammit, Steven C.; White, Jonathan M.; Rizzacasa, Mark A.","Enantiospecific synthesis of (-)-trachyspic acid.","Organic & biomolecular chemistry","2005","3","11","2073","2074","10.1039/b504258e","","","0.71073","MoKα","","0.0979","0.0457","","","0.074","0.0856","","","","","","0.787","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150087","23.6543","0.0005","30.2367","0.0001","31.2827","0.0006","90","","90","","90","","22374.3","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H82 N30 O31 Pt -","- C50 H56 N30 O31 Pt -","- C600 H672 N360 O372 Pt12 -","12","3","","Jeon, Young Jin; Kim, Soo-Young; Ko, Young Ho; Sakamoto, Shigeru; Yamaguchi, Kentaro; Kim, Kimoon","Novel molecular drug carrier: encapsulation of oxaliplatin in cucurbit[7]uril and its effects on stability and reactivity of the drug.","Organic & biomolecular chemistry","2005","3","11","2122","2125","10.1039/b504487a","","","0.71073","MoKα","","0.1643","0.0827","","","0.1744","0.2162","","","","","","1.04","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150088","12.723","0.001","5.3119","0.0003","17.908","0.001","90","","100.305","0.003","90","","1190.76","0.13","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 N3 O6 S -","- C22 H31 N3 O6 S -","- C44 H62 N6 O12 S2 -","2","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.08","","","","0.154","","","","","","1.389","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150089","11.2302","0.0004","5.539","0.0002","17.85","0.001","90","","95.444","0.002","90","","1105.33","0.08","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 N3 O5 S -","- C22 H29 N3 O5 S -","- C44 H58 N6 O10 S2 -","2","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.067","","","","0.067","","","","","","1.447","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150090","5.0426","0.0006","7.6092","0.0007","21.615","0.003","90","","90","","90","","829.37","0.17","293.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Cl N2 O -","- C6 H13 Cl N2 O -","- C24 H52 Cl4 N8 O4 -","4","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.046","","","","0.092","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150091","5.212","0.004","13.5426","0.0008","22.162","0.002","90","","90","","90","","1564.3","1.2","293.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.056","","","","0.109","","","","","","0.948","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150092","10.7","0.04","13.81","0.05","15.55","0.06","90","","90","","90","","2298","15","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Br K N5 O4 -","- C20 H31 Br K N5 O4 -","- C80 H124 Br4 K4 N20 O16 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.0823","0.0584","","","0.1436","0.1558","","","","","","0.984","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150093","8.321","0.007","9.079","0.007","14.321","0.012","101.75","0.02","101.706","0.016","103.15","0.02","995.6","1.4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N5 O S2 -","- C18 H26 N5 O S2 -","- C36 H52 N10 O2 S4 -","2","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.0682","0.0533","","","0.136","0.1444","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150094","9.572","0.002","23.209","0.005","10.117","0.002","90","","112.214","0.004","90","","2080.7","0.8","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 N5 O4 -","- C20 H31 N5 O4 -","- C80 H124 N20 O16 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.1184","0.0539","","","0.1016","0.1216","","","","","","0.999","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150095","8.324","0.004","17.781","0.009","13.033","0.005","90","","103.797","0.013","90","","1873.3","1.5","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 N5 O3 -","- C18 H27 N5 O3 -","- C72 H108 N20 O12 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.1343","0.0706","","","0.1572","0.186","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150096","12.683","0.006","14.165","0.006","23.626","0.01","90","","98.43","0.01","90","","4199","3","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N10 S6 -","- C36 H54 N10 S6 -","- C144 H216 N40 S24 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.1224","0.0683","","","0.1551","0.1807","","","","","","1.025","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150097","10.7399","0.0006","12.8444","0.0008","17.6182","0.0011","90","","90","","90","","2430.4","0.3","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O4 P -","- C29 H27 O4 P -","- C116 H108 O16 P4 -","4","1","","Boesen, Thomas; Fox, David J.; Galloway, Warren; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions.","Organic & biomolecular chemistry","2005","3","4","630","637","10.1039/b413500h","","","0.71073","MoKα","","0.1374","0.069","","","0.1201","0.1428","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150098","13.165","0.0008","28.102","0.002","7.2735","0.0003","90","","90","","90","","2690.9","0.3","180","2","180","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Boesen, Thomas; Fox, David J.; Galloway, Warren; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions.","Organic & biomolecular chemistry","2005","3","4","630","637","10.1039/b413500h","","","0.71073","MoKα","","0.0798","0.0579","","","0.1182","0.1265","","","","","","1.269","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150099","7.32","0.008","8.396","0.006","13.236","0.014","90","","90.07","0.09","90","","813.5","1.4","150","0.2","150","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Hayes, Christopher J.; Herbert, Nicola M. A.; Harrington-Frost, Nicole M; Pattenden, Gerald","alpha,beta-Unsaturated and cyclopropyl acyl radicals, and their ketene alkyl radical equivalents. Ring synthesis and tandem cyclisation reactions.","Organic & biomolecular chemistry","2005","3","2","316","327","10.1039/b413815p","","","0.71073","MoKα","","0.0651","0.0485","","","0.112","0.127","","","","","","1.05","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150100","10.245","0.002","7.16","0.0013","15.02","0.003","90","","107.943","0.004","90","","1048.2","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Broussy, Sylvain; Bernardes-Génisson, Vania; Gornitzka, Heinz; Bernadou, Jean; Meunier, Bernard","Studies on the 4-benzoylpyridine-3-carboxamide entity as a fragment model of the Isoniazid-NAD adduct.","Organic & biomolecular chemistry","2005","3","4","666","669","10.1039/b415439h","","","0.71073","MoKα","","0.0593","0.0411","","","0.0887","0.0962","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150101","8.889","0.001","11.196","0.001","13.856","0.001","90","","92.09","0.01","90","","1378","0.2","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H39 N3 O6 -","- C25 H39 N3 O6 -","- C50 H78 N6 O12 -","2","1","","Dutt, Anita; Fröhlich, Roland; Pramanik, Animesh","Beta-turn mimic in tripeptide with Phe(1)-Aib(2) as corner residues and beta-strand structure in an isomeric tripeptide: an X-ray diffraction study.","Organic & biomolecular chemistry","2005","3","4","661","665","10.1039/b415455j","","","0.71073","MoKα","","0.0925","0.0601","","","0.1092","0.1232","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150102","47.011","0.001","13.325","0.001","14.106","0.001","90","","95.26","0.01","90","","8799.1","0.9","198","2","198","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C76 H123 N9 O20 -","- C76 H121 N9 O20 -","- C304 H484 N36 O80 -","4","1","","Dutt, Anita; Fröhlich, Roland; Pramanik, Animesh","Beta-turn mimic in tripeptide with Phe(1)-Aib(2) as corner residues and beta-strand structure in an isomeric tripeptide: an X-ray diffraction study.","Organic & biomolecular chemistry","2005","3","4","661","665","10.1039/b415455j","","","0.71073","MoKα","","0.1121","0.0665","","","0.1548","0.1804","","","","","","1.019","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150103","25.9377","0.0017","31.857","0.002","26.5255","0.0018","90","","106.746","0.002","90","","20988","2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C136 H191 N2 Na7 O69 S8 -","- C132 H134 N2 Na7 O67.5 S8 -","- C528 H536 N8 Na28 O270 S32 -","4","2","","Cooper, Alan; Nutley, Margaret; MacLean, Elizabeth J.; Cameron, Ken; Fielding, Lee; Mestres, Jordi; Palin, Ronald","Mutual induced fit in cyclodextrin-rocuronium complexes.","Organic & biomolecular chemistry","2005","3","10","1863","1871","10.1039/b415903a","","","0.6883","synchrotron","","0.2131","0.1806","","","0.4369","0.4681","","","","","","1.979","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150104","23.135","0.002","23.135","0.002","31.904","0.003","90","","90","","90","","17076","3","150","2","150","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C104 H83 Na8 O63 S8 -","- C104 H88 Na8 O59.52 S8 -","- C416 H352 Na32 O238.08 S32 -","4","0.25","","Cooper, Alan; Nutley, Margaret; MacLean, Elizabeth J.; Cameron, Ken; Fielding, Lee; Mestres, Jordi; Palin, Ronald","Mutual induced fit in cyclodextrin-rocuronium complexes.","Organic & biomolecular chemistry","2005","3","10","1863","1871","10.1039/b415903a","","","0.6883","synchrotron","","0.2","0.1842","","","0.4216","0.4435","","","","","","1.939","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7150105","15.44","0.002","15.483","0.002","17.971","0.003","112.852","0.003","99.09","0.003","103.334","0.003","3702.5","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C108 H192 N4 O88 -","- C108 H160 N4 O88 -","- C108 H160 N4 O88 -","1","1","","Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng","Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene.","Organic & biomolecular chemistry","2005","3","4","584","591","10.1039/b415946b","","","0.71073","MoKα","","0.1346","0.082","","","0.2006","0.2431","","","","","","1.051","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150106","15.46","0.004","32.209","0.008","15.512","0.004","90","","103.096","0.004","90","","7523","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H205 N6 O91.5 -","- C108 H156 N6 O91.5 -","- C216 H312 N12 O183 -","2","1","","Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng","Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene.","Organic & biomolecular chemistry","2005","3","4","584","591","10.1039/b415946b","","","0.71073","MoKα","","0.1371","0.0972","","","0.2595","0.2859","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150107","9.6984","0.0002","16.5958","0.0003","25.445","0.0006","90","","90","","90","","4095.44","0.15","93.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C192 H224 N32 O16 -","16","2","","Nitta, Makoto; Sakakida, Tsuyoshi; Miyabara, Hideo; Yamamoto, Hiroyuki; Naya, Shin-ichi","Novel synthesis, static and dynamic properties, and structural characteristics of 5-cyano[n](2,4)pyridinophane-6-ones (n= 9-6) and their chemical transformations.","Organic & biomolecular chemistry","2005","3","4","638","644","10.1039/b416013d","","","0.7107","MoKα","","","0.056","","","","0.098","","","","","","1.184","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150108","7.4175","0.0004","8.7683","0.0005","12.4464","0.0007","90","","90.586","0.001","90","","809.46","0.08","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 N O5 S -","- C5 H11 N O5 S -","- C20 H44 N4 O20 S4 -","4","1","","Kenworthy, Martin N.; Taylor, Richard J. K.","Tethered aminohydroxylation using acyclic homo-allylic sulfamate esters and sulfonamides as substrates.","Organic & biomolecular chemistry","2005","3","4","603","611","10.1039/b416477f","","","0.71073","MoKα","","0.0296","0.0279","","","0.0773","0.0784","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150109","7.3712","0.0005","7.4301","0.0005","9.0586","0.0006","66.362","0.001","87.942","0.001","64.538","0.001","404.73","0.05","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 N O5 S -","- C5 H11 N O5 S -","- C10 H22 N2 O10 S2 -","2","1","","Kenworthy, Martin N.; Taylor, Richard J. K.","Tethered aminohydroxylation using acyclic homo-allylic sulfamate esters and sulfonamides as substrates.","Organic & biomolecular chemistry","2005","3","4","603","611","10.1039/b416477f","","","0.71073","MoKα","","0.031","0.0291","","","0.0825","0.0841","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150110","17.705","0.002","21.289","0.002","19.354","0.002","90","","96.336","0.003","90","","7250.4","1.3","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 -","- C52 H40 -","- C416 H320 -","8","1","","Elliott, Eric L.; Orita, Akihiro; Hasegawa, Daiki; Gantzel, Peter; Otera, Junzo; Siegel, Jay S.","Synthesis and properties of 1,6,7,12,13,18,19,24-octamethylacenaphthyleno[b,l]tetraphenylene.","Organic & biomolecular chemistry","2005","3","4","581","583","10.1039/b416820h","","","0.71073","MoKα","","0.0693","0.0401","","","0.0997","0.108","","","","","","0.875","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150111","15.676","0.004","6.4009","0.0004","18.702","0.003","90","","112.578","0.008","90","","1732.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Br6 -","- C12 H18 Br6 -","- C48 H72 Br24 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0618","0.0451","","0.1116","0.1098","","","","1.001","1.163","1.163","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150112","6.574","0.0002","31.53","0.0006","7.667","0.0004","90","","108.03","0.006","90","","1511.16","0.11","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0415","0.0396","","0.105","0.1047","","","","1.101","1.144","1.144","","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150113","9.9321","0.001","13.1468","0.0005","11.9463","0.0005","90","","109.373","0.008","90","","1471.57","0.18","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0618","0.0496","","0.1349","0.132","","","","0.95","1.067","1.067","","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150114","11.4559","0.0014","7.4771","0.0013","17.7504","0.0008","90","","91.342","0.007","90","","1520","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0566","0.0442","","0.1089","0.1075","","","","0.967","1.117","1.117","","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150115","7.733","","15.842","","10.62","","90","","102.83","","90","","1268.53","","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 Br2 -","- C12 H18 Br2 -","- C48 H72 Br8 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","Mokalpha","","","0.079","","","","0.076","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"7150116","10.2529","0.0007","13.9866","0.0017","14.4984","0.0013","75.851","0.007","79.144","0.007","83.639","0.008","1975.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 Br6 N -","- C14 H21 Br6 N -","- C56 H84 Br24 N4 -","4","2","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71073","MoKα","","0.0634","0.0484","","","0.1124","0.1201","","","","","","1.028","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150117","17.163","0.002","12.517","0.001","14.25","0.001","90","","90","","90","","3061.3","0.5","","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C96 H144 Br32 -","8","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","Mokα","","","0.068","","","","0.087","","","","","","","","","","has coordinates","277892","2022-09-15","16:23:53",""
"7150118","11.67","0.002","28.998","0.006","10.483","0.003","90","","90","","90","","3547.5","1.4","","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Br6 -","- C12 H18 Br6 -","- C96 H144 Br48 -","8","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","MoKα","","","0.054","","","","0.072","","","","","","","","","","has coordinates","277893","2022-09-15","16:27:41",""
"7150119","10.057","0.002","13.722","0.003","15.423","0.003","72.17","0.03","80.39","0.03","86.9","0.03","1997.7","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9.43 N3 O -","- C12.9294 H9.42857 N2.98371 O0.994571 -","- C90.506 H66 N20.886 O6.962 -","7","3.5","","Jónsson, Stefán; Arribas, Carlos Solano; Wendt, Ola F.; Siegel, Jay S.; Wärnmark, Kenneth","Synthesis of 2-pyridone-fused 2,2'-bipyridine derivatives. An unexpectedly complex solid state structure of 3,6-dimethyl-9H-4,5,9-triazaphenanthren-10-one.","Organic & biomolecular chemistry","2005","3","6","996","1001","10.1039/b417485b","","","0.71073","MoKα","","0.2038","0.0977","","","0.283","0.3289","","","","","","1.149","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150120","15.358","0.0004","15.358","0.0004","20.1237","0.0012","90","","90","","120","","4110.6","0.3","130","2","130","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C39 H24 O3 -","- C39 H24 O3 -","- C234 H144 O18 -","6","0.5","","Wooi, Goh Yit; White, Jonathan M.","Structural manifestations of the cheletropic reaction.","Organic & biomolecular chemistry","2005","3","6","972","974","10.1039/b417538g","","","0.71073","MoKα","","0.0966","0.0497","","","0.0773","0.0881","","","","","","0.887","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150121","20.7668","0.0018","10.7728","0.0008","25.164","0.0018","90","","104.376","0.002","90","","5453.3","0.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H26.5 N1.5 O -","- C38 H26.5 N1.5 O -","- C304 H212 N12 O8 -","8","1","","Wooi, Goh Yit; White, Jonathan M.","Structural manifestations of the cheletropic reaction.","Organic & biomolecular chemistry","2005","3","6","972","974","10.1039/b417538g","","","0.71073","MoKα","","0.0526","0.0481","","","0.1329","0.1369","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150122","10.0236","0.0011","10.4368","0.0011","12.1152","0.0013","109.755","0.002","103.475","0.002","90.167","0.002","1155.4","0.2","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H22 O3 -","- C35 H22 O3 -","- C70 H44 O6 -","2","1","","Wooi, Goh Yit; White, Jonathan M.","Structural manifestations of the cheletropic reaction.","Organic & biomolecular chemistry","2005","3","6","972","974","10.1039/b417538g","","","0.71073","","","0.0788","0.0456","","","0.0676","0.0753","","","","","","0.803","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150123","7.0435","0.0001","16.1734","0.0004","16.3288","0.0004","90","","90","","90","","1860.13","0.07","200","","200","","","","","","","","?","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C.","A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer.","Organic & biomolecular chemistry","2005","3","6","1081","1088","10.1039/b417685e","","","0.71073","MoKα","","0.0431","0.0276","","0.034","0.0297","0.0297","","","","","","1.1307","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150124","18.685","0.0002","18.685","0.0002","12.2539","0.0001","90","","90","","120","","3705.03","0.06","200","","","","","","","","","","Local laboratory","3","P 31","P 31","144","","","","- C16 H26 O6 -","- C16 H26 O6 -","- C144 H234 O54 -","9","3","","Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C.","A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer.","Organic & biomolecular chemistry","2005","3","6","1081","1088","10.1039/b417685e","","","0.71073","MoKα","","0.043","0.038","","0.05","0.048","0.048","","","1.281","1.292","1.292","1.292","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150125","17.357","0.008","13.487","0.005","14.83","0.006","90","","90","","90","","3472","2","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C46 H38 O6 -","- C46 H32 O6 -","- C184 H128 O24 -","4","0.5","","Tellenbröker, Jörg; Barth, Dieter; Neumann, Beate; Stammler, Hans-Georg; Kuck, Dietmar","Methoxy-substituted centrohexaindanes through the fenestrane route.","Organic & biomolecular chemistry","2005","3","4","570","571","10.1039/b417837h","","","0.71073","MoKα","","0.1294","0.0753","","","0.1787","0.2126","","","","","","1.018","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150126","12.543","0.006","7.122","0.003","12.956","0.006","90","","102.4","0.03","90","","1130.4","0.9","188","2","188","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4`-diformylphenyl ether","","","- C14 H10 O3 -","- C14 H10 O3 -","- C56 H40 O12 -","4","1","","Kuhnert, Nikolai; Burzlaff, Nicolai; Patel, Chirag; Lopez-Periago, Ana","Tuning the size of macrocyclic cavities in trianglimine macrocycles.","Organic & biomolecular chemistry","2005","3","10","1911","1921","10.1039/b417941b","","","0.71073","MoKα","","0.0744","0.0495","","","0.1211","0.1366","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150127","6.7991","0.0003","14.3737","0.0007","18.467","0.0008","90","","90","","90","","1804.75","0.14","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B F4 O3 S -","- C17 H25 B F4 O3 S -","- C68 H100 B4 F16 O12 S4 -","4","1","","Aggarwal, Varinder K.; Hebach, Christina","Carboxylate-stabilised sulfur ylides (thetin salts) in asymmetric epoxidation for the synthesis of glycidic acids. Mechanism and implications.","Organic & biomolecular chemistry","2005","3","8","1419","1427","10.1039/b418740g","","","0.71073","MoKα","","0.0319","0.0292","","","0.0745","0.0761","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7150128","8.5216","0.0013","8.6643","0.0013","10.4987","0.0016","92.857","0.003","96.328","0.003","113.673","0.003","701.82","0.19","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C31 H38 O9 -","- C31 H38 O9 -","- C31 H38 O9 -","1","1","","Loeb, Stephen J.; Tramontozzi, David A.","Branched [n]rotaxanes (n = 2-4) from multiple dibenzo-24-crown-8 ether wheels and 1,2-bis(4,4'-dipyridinium)ethane axles.","Organic & biomolecular chemistry","2005","3","8","1393","1401","10.1039/b418772e","","","0.71073","MoKα","","0.1038","0.0965","","","0.2346","0.2429","","","","","","1.146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150129","5.6","0.001","24.29","0.002","7.74","0.001","90","","96.24","0.004","90","","1046.6","0.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4R-(1R-hydroxy-(4-nitrophenyl)-methyl)-1,3-oxazolidin-2-one","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","2","","Cwik, Agnieszka; Fuchs, Aliz; Hell, Zoltán; Böjtös, Ildikó; Halmai, Dóra; Bombicz, Petra","Modified Mg : Al hydrotalcite in the synthesis of oxazolidin-2-ones.","Organic & biomolecular chemistry","2005","3","6","967","969","10.1039/b418848a","","","1.54178","CuKα","","0.0478","0.0452","","","0.0867","0.0885","","","","","","0.909","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150130","9.891","0.005","10.066","0.005","11.732","0.005","90","","96.743","0.005","90","","1160","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-isopropyl-4H-3-oxo-1,9a,10-triazaanthracen-9-one","4-isopropyl-4H-3-oxo-1,9a,10-triazaanthracen-9-one","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Coogan, Michael P.; Ooi, Li-ling; Pertusati, Fabrizio","Synthesis of unsymmetrical 3,3'-biquinazoline-2,2'-diones by condensation of 3-aminoquinazolinones with benzoxazinones; fortuitous discovery, and further syntheses of 4-H-3-oxo-1,9a,10-triazaanthracen-9-ones.","Organic & biomolecular chemistry","2005","3","6","1134","1139","10.1039/b419108k","","","0.71069","MoKα","","0.0974","0.0584","","","0.141","0.1609","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150131","10.6747","0.0006","12.0073","0.0003","15.319","0.0011","101.634","0.003","99.209","0.004","90.717","0.004","1896.34","0.18","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.1544","0.0775","","","0.211","0.2478","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150132","14.266","0.006","12.599","0.004","19.587","0.004","90","","100.86","0.02","90","","3457","2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C132 H180 N12 O24 -","12","3","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.1816","0.0478","","","0.1214","0.1588","","","","","","0.971","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150133","10.0678","0.0016","12.211","0.003","9.0829","0.0012","97.147","0.015","92.285","0.015","109.753","0.014","1038.7","0.4","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H36 N2 O3 -","- C19 H34 N2 O3 -","- C38 H68 N4 O6 -","2","1","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.3179","0.0688","","","0.1691","0.2319","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150134","12.233","0.004","13.207","0.004","11.841","0.004","105.46","0.02","109.07","0.03","90.81","0.03","1731.8","1.1","298","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 N2 O3 -","- C16 H24 N2 O3 -","- C64 H96 N8 O12 -","4","2","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.1885","0.0605","","","0.1706","0.2267","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150135","13.2912","0.0006","13.0775","0.0005","12.1094","0.0005","90","","90","","90","","2104.8","0.15","200","","200","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C20 H35 N3 O3 -","- C20 H35 N3 O3 -","- C80 H140 N12 O12 -","4","0.5","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.0445","0.0387","","","0.0906","0.0928","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150136","10.5772","0.0004","17.2951","0.0007","9.394","0.0004","90","","109.781","0.001","90","","1617.08","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F2 N3 O3 S -","- C16 H15 F2 N3 O3 S -","- C64 H60 F8 N12 O12 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.0542","0.0505","","","0.1276","0.1317","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150137","31.208","0.004","5.051","0.001","21.756","0.002","90","","110.08","0.01","90","","3221","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 F3 N3 O2 S -","- C16 H12 F3 N3 O2 S -","- C128 H96 F24 N24 O16 S8 -","8","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.0695","0.0445","","","0.1021","0.1176","","","","","","1.043","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150138","10.614","0.002","7.484","0.001","20.523","0.003","90","","96.25","0.01","90","","1620.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F2 N3 O2 S -","- C16 H13 F2 N3 O2 S -","- C64 H52 F8 N12 O8 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.064","0.0419","","","0.1017","0.1139","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150139","15.9809","0.001","9.4557","0.0006","10.5313","0.0007","90","","90.471","0.001","90","","1591.34","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C64 H68 N12 O12 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","0.71073","MoKα","","0.0467","0.037","","","0.0928","0.0978","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150140","8.3741","0.0005","19.8459","0.0013","10.4665","0.0007","90","","108.845","0.001","90","","1646.2","0.18","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F3 N3 O3 S -","- C16 H14 F3 N3 O3 S -","- C64 H56 F12 N12 O12 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","0.71073","MoKα","","0.0355","0.0295","","","0.0767","0.0788","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150141","8.46","0.001","16.282","0.002","10.706","0.001","90","","107.52","0.01","90","","1406.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 F3 N2 -","- C16 H11 F3 N2 -","- C64 H44 F12 N8 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.0818","0.0461","","","0.1104","0.1322","","","","","","0.99","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150142","5.0885","0.0003","15.5224","0.0017","16.5379","0.0016","102.839","0.008","95.947","0.006","94.025","0.007","1260.9","0.2","150","","150","","","","","","","","see text","5","P -1","-P 1","2","","","","- C25 H37 N2 O4 S2 -","- C25 H37 N2 O4 S2 -","- C50 H74 N4 O8 S4 -","2","1","","Marsman, Albert W.; van Poecke, Bart L. A.; Jenneskens, Leonardus W.; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H.","4-(Tetrahydro-4H-thiopyran-1-oxide-4-ylidene)-cyclohexanone oxime in the solid-state. A two-dimensional network of enantiomorphous chains interconnected by weak hydrogen bonds.","Organic & biomolecular chemistry","2005","3","8","1402","1409","10.1039/b500527b","","","0.71073","MoKα","","0.1689","0.101","","","0.2367","0.2801","","","","","","1.035","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150143","13.383","0.0004","7.0716","0.0002","13.9236","0.0005","90","","110.93","0.0015","90","","1230.77","0.07","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C54 H68 N4 O8 -","2","1","","Davies, Stephen G.; Rodriguez-Solla, Humberto; Tamayo, Juan A.; Cowley, Andrew R.; Concellon, Carmen; Garner, A. Christopher; Parkes, Alastair L.; Smith, Andrew D.","Asymmetric conjugate reductions with samarium diiodide: asymmetric synthesis of (2S,3R)- and (2S,3S)-[2-2H,3-2H]-leucine-(S)-phenylalanine dipeptides and (2S,3R)-[2-(2)H,3-2H]-phenylalanine methyl ester.","Organic & biomolecular chemistry","2005","3","8","1435","1447","10.1039/b500566c","","","0.71073","MoKα","","","0.0316","","","","0.0354","","","","","","1.0513","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150144","6.2236","0.0012","9.575","0.002","10.455","0.002","90","","92.63","0.01","90","","622.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Glytham","(4aR*,4bR*,8aS*,8bS*)-[6a-(Hydroxymethyl)hexahydro-2H,6H-1,4,5,8-tetraoxa- 6b,8c-diazadicyclopent[cd,ij]-s-indacen-2(3H)-yl]methanol","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C24 H36 N4 O12 -","2","0.5","","Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio","Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.","Organic & biomolecular chemistry","2005","3","8","1489","1494","10.1039/b500580a","","","0.71073","MoKα","","0.0373","0.0338","","","0.0944","0.0967","","","","","","1.047","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150145","15.63","0.0019","12.6665","0.0015","7.9832","0.001","90","","93.946","0.003","90","","1576.7","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(1R*,2R*,5S*)-1-Hydroxymethyl-4,5-diphenyl-3,6-dioxa-8-azabicyclo[3.2.1]octan- 4-ol","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio","Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.","Organic & biomolecular chemistry","2005","3","8","1489","1494","10.1039/b500580a","","","0.71073","MoKα","","0.0357","0.0328","","","0.0811","0.0845","","","","","","1.122","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150146","12.47","0.008","15.549","0.008","16.864","0.003","90","","98.63","0.04","90","","3233","3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H41 N3 O7 -","- C37 H41 N3 O7 -","- C148 H164 N12 O28 -","4","1","","Banthia, Sandip; Samanta, Anunay","Calix[4]azacrown and 4-aminophthalimide-appended calix[4]azacrown: synthesis, structure, complexation and fluorescence signaling behaviour.","Organic & biomolecular chemistry","2005","3","8","1428","1434","10.1039/b500912j","","","0.71073","MoKα","","0.2698","0.0654","","","0.0855","0.1298","","","","","","0.96","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150147","12.7722","0.0018","15.865","0.002","20.138","0.003","78.132","0.002","71.638","0.002","69.81","0.002","3613.3","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H86 Cl2 N6 O25 -","- C72 H80 Cl2 N6 O25 -","- C144 H160 Cl4 N12 O50 -","2","1","","Banthia, Sandip; Samanta, Anunay","Calix[4]azacrown and 4-aminophthalimide-appended calix[4]azacrown: synthesis, structure, complexation and fluorescence signaling behaviour.","Organic & biomolecular chemistry","2005","3","8","1428","1434","10.1039/b500912j","","","0.71073","MoKα","","0.172","0.091","","","0.2634","0.3236","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150148","6.622","0.002","8.534","0.002","39.364","0.013","90","","90","","90","","2224.5","1.1","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methyl 6,7-di(benzoyloxy)-2,2-dimethylperhydro-1,3- benzodioxole-4-carboxylate","Methyl 6,7-di(benzoyloxy)-2,2-dimethylperhydro-1,3-benzodioxole-4-carboxylate","","- C25 H26 O8 -","- C25 H26 O8 -","- C100 H104 O32 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.","Chemoenzymatic synthesis of carbasugars from iodobenzene.","Organic & biomolecular chemistry","2005","3","10","1953","1963","10.1039/b502009c","","","0.71073","MoKα","","0.2819","0.0963","","","0.1863","0.26","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150149","5.871","0.003","9.395","0.004","16.257","0.007","87.588","0.007","86.434","0.007","81.819","0.007","885.4","0.7","150","2","150","2","","","","","","","","3","P 1","P 1","1","Methyl(1R,2S,3R,4R,5S)-2,3,4,5-tetra(acetyloxy)cyclohexane-1- carboxylate","Methyl(1R,2S,3R,4R,5S)-2,3,4,5-tetra(acetyloxy)cyclohexane-1-carboxylate","","- C16 H22 O10 -","- C16 H22 O10 -","- C32 H44 O20 -","2","2","","Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.","Chemoenzymatic synthesis of carbasugars from iodobenzene.","Organic & biomolecular chemistry","2005","3","10","1953","1963","10.1039/b502009c","","","0.71073","MoKα","","0.1069","0.0671","","","0.1686","0.1891","","","","","","0.982","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150150","11.8427","0.0009","6.0131","0.0003","20.0259","0.0011","90","","90.914","0.005","90","","1425.89","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O2 Te -","- C17 H12 O2 Te -","- C68 H48 O8 Te4 -","4","1","","Fry, Fiona H.; Holme, Andrea L.; Giles, Niroshini M.; Giles, Gregory I.; Collins, Catriona; Holt, Kim; Pariagh, Sandra; Gelbrich, Thomas; Hursthouse, Michael B.; Gutowski, Nick J.; Jacob, Claus","Multifunctional redox catalysts as selective enhancers of oxidative stress.","Organic & biomolecular chemistry","2005","3","14","2579","2587","10.1039/b502197a","","","0.71073","MoKα","","0.0424","0.0327","","","0.0804","0.0849","","","","","","1.019","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150151","9.3004","0.0005","14.8301","0.0009","11.6244","0.0004","90","","108.528","0.003","90","","1520.2","0.14","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Br O4 -","- C16 H21 Br O4 -","- C64 H84 Br4 O16 -","4","1","","Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon","A synthesis of (+/-)-sparteine.","Organic & biomolecular chemistry","2005","3","8","1557","1567","10.1039/b502213d","","","0.71073","MoKα","","0.0637","0.0473","","","0.1163","0.1242","","","","","","1.092","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150152","9.6393","0.0002","9.6637","0.0002","17.7208","0.0004","78.728","0.001","79.019","0.001","76.781","0.001","1557.5","0.06","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","2","","Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon","A synthesis of (+/-)-sparteine.","Organic & biomolecular chemistry","2005","3","8","1557","1567","10.1039/b502213d","","","0.71073","MoKα","","0.0419","0.0376","","","0.0875","0.0904","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150153","6.4839","0.0004","12.5501","0.001","13.7734","0.0007","90","","90","","90","","1120.79","0.13","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Cl N2 O3 -","- C10 H15 Cl N2 O3 -","- C40 H60 Cl4 N8 O12 -","4","1","","Duggan, Heather M. E.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of 5/7-, 5/8- and 5/9-bicyclic lactam templates as constraints for external beta-turns.","Organic & biomolecular chemistry","2005","3","12","2287","2295","10.1039/b503014e","","x-ray","0.71073","MoKα","","0.0454","0.0364","","","0.076","0.0802","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150154","6.0476","0.0001","10.1799","0.0003","32.0263","0.0009","90","","90","","90","","1971.67","0.09","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N3 O5 S -","- C20 H21 N3 O5 S -","- C80 H84 N12 O20 S4 -","4","1","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.0364","0.0325","","","0.0734","0.076","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150155","15.717","0.003","6.1884","0.0012","39.42","0.008","90","","90","","90","","3834.1","1.3","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H25 N O2 S2 -","- C20 H25 N O2 S2 -","- C160 H200 N8 O16 S16 -","8","2","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.0583","0.0418","","","0.0976","0.1047","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150156","8.5638","0.0003","14.0302","0.0005","23.1201","0.0009","90","","90","","90","","2777.92","0.18","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H20 Cl N S -","- C13 H20 Cl N S -","- C104 H160 Cl8 N8 S8 -","8","1","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.085","0.0699","","","0.1926","0.2037","","","","","","1.189","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150157","24.525","0.005","8.188","0.002","26.609","0.004","90","","116.853","0.014","90","","4767.2","1.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","(8a R,14a R,14b S)-11-(Carboxyethyl)-9,9-dimethyl-5,7,8,8a,9,9a,14a,15- octa-hydro-14H-benzo[g]quinolino-[2,3-a]quinolidine","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","2","","Koepler, Oliver; Mazzini, Stefania; Bellucci, Maria Cristina; Mondelli, Rosanna; Baro, Angelika; Laschat, Sabine; Hotfilder, Marc; Viseur, Christophle; Frey, Wolfgang","Synthesis and DNA binding properties of novel benzo[b]isoquino[2,3-h]-naphthyridines.","Organic & biomolecular chemistry","2005","3","15","2848","2858","10.1039/b503281d","","","0.71073","MoKα","","0.1373","0.0806","","","0.2046","0.2376","","","","","","1.022","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150158","22.385","0.006","16.653","0.004","7.093","0.004","90","","90","","90","","2644.1","1.8","293","","293","","","","","","","","?","6","P b c n","-P 2n 2ab","60","potassium salt of bis (N- (trifluoromethylsulfonylimino))trifluoro-methanesulfonic acid","potassium salt of bis [N-(trifluoromethylsulfonylimino)]trifluoro- methanesulfonic acid","","- C3 F9 K N2 O5 S3 -","- C3 F9 K N2 O5 S3 -","- C24 F72 K8 N16 O40 S24 -","8","1","","Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M.","Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide.","Organic & biomolecular chemistry","2005","3","12","2239","2243","10.1039/b503286p","","","0.71073","MoKα","","0.1687","0.0674","","0.0831","0.0649","0.0649","","","","","","1.1658","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150159","13.479","0.007","11.203","0.004","24.545","0.008","90","","90","","90","","3706","3","293","","293","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","potassium solt of N-bis(N- (trifluoromethylsulfonylimido))trifluoromethane-sulfoximidoyl imide","potassium solt of N-bis[N-(trifluoromethylsulfonylimido)]trifluoromethane- sulfoximidoyl imide","","- C4 F12 K N3 O6 S4 -","- C4 F12 K N3 O6 S4 -","- C32 F96 K8 N24 O48 S32 -","8","1","","Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M.","Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide.","Organic & biomolecular chemistry","2005","3","12","2239","2243","10.1039/b503286p","","","0.71073","MoKα","","0.1409","0.0401","","0.0833","0.0443","0.0443","","","","","","1.1501","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150160","17.354","0.0002","9.797","0.0001","17.737","0.0002","90","","104.153","0.001","90","","2924.06","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 N O2 -","- C14 H25 N O2 -","- C112 H200 N8 O16 -","8","2","","Feuillet, Fred J. P.; Cheeseman, Matt; Mahon, Mary F.; Bull, Steven D.","Stereoselective synthesis of (E)-trisubstituted alpha,beta-unsaturated amides and acids.","Organic & biomolecular chemistry","2005","3","16","2976","2989","10.1039/b503633j","","","0.71073","MoKα","","0.0818","0.0453","","","0.1035","0.1198","","","","","","1.007","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150161","11.4775","0.0005","11.1987","0.0005","24.918","0.001","90","","90","","90","","3202.8","0.2","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N'-Cyclopent-2-enyl-N'-(2-oxo-oxazolidine-3-carbonyl)- hydrazinecarboxylic acid 2,2,2-tricloro-ethyl ester","","- C12 H14 Cl3 N3 O5 -","- C12 H14 Cl3 N3 O5 -","- C96 H112 Cl24 N24 O40 -","8","1","","Aburel, Pompiliu S.; Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Catalytic and enantioselective aza-ene and hetero-Diels-Alder reactions of alkenes and dienes with azodicarboxylates.","Organic & biomolecular chemistry","2005","3","12","2344","2349","10.1039/b503744a","","","0.71073","MoKα","","","0.048","","","","0.054","","","","","","1.54","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150162","12.9893","0.0012","22.218","0.002","5.2165","0.0005","90","","90","","90","","1505.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C11 H22 N6 O4 -","- C11 H20 N6 O4 -","- C44 H80 N24 O16 -","4","1","","Hysell, Michelle; Siegel, Jay S.; Tor, Yitzhak","Synthesis and stability of exocyclic triazine nucleosides.","Organic & biomolecular chemistry","2005","3","16","2946","2952","10.1039/b503757c","","","0.71073","MoKα","","0.0581","0.0526","","","0.1361","0.1396","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150163","15.095","0.001","10.338","0.006","11.718","0.005","90","","97.582","0.004","90","","1812.6","1.3","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 N O6 S -","- C16 H27 N O6 S -","- C64 H108 N4 O24 S4 -","4","1","","Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry","The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.","Organic & biomolecular chemistry","2005","3","10","1942","1952","10.1039/b503758a","","","0.71073","MoKα","","0.123","0.0943","","","0.2759","0.295","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150164","6.8076","0.0009","9.3008","0.0012","12.201","0.0018","96.4","0.008","105.284","0.009","92.286","0.009","738.62","0.18","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 O5 S -","- C14 H22 O5 S -","- C28 H44 O10 S2 -","2","1","","Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry","The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.","Organic & biomolecular chemistry","2005","3","10","1942","1952","10.1039/b503758a","","","0.71073","MoKα","","0.0441","0.0368","","","0.0994","0.1012","","","","","","1.008","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150165","10.927","0.008","8.372","0.006","14.62","0.01","90","","96.444","0.014","90","","1329","1.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 N O4 S -","- C12 H18 N O4 S -","- C48 H72 N4 O16 S4 -","4","2","","Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry","The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.","Organic & biomolecular chemistry","2005","3","10","1942","1952","10.1039/b503758a","","","0.71073","MoKα","","0.0938","0.0842","","","0.2226","0.2352","","","","","","0.93","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150166","6.9456","0.0005","8.5692","0.0005","12.8364","0.0008","95.764","0.004","92.302","0.003","113.556","0.003","694.09","0.08","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N2 O10 P2 -","- C24 H34 N2 O10 P2 -","- C24 H34 N2 O10 P2 -","1","0.5","","Siu, Jason; Baxendale, Ian R.; Lewthwaite, Russell A.; Ley, Steven V.","A phase-switch purification approach for the expedient removal of tagged reagents and scavengers following their application in organic synthesis.","Organic & biomolecular chemistry","2005","3","17","3140","3160","10.1039/b503778f","","","0.71073","MoKα","","0.0678","0.0575","","","0.1411","0.1479","","","","","","1.079","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150167","22.3809","0.0009","17.2516","0.0008","9.034","0.001","90","","90","","90","","3488.1","0.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C168 H160 O32 -","8","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0575","","","","0.2055","","","","","","1.934","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150168","8.471","0.001","11.811","0.002","16.531","0.003","90","","90","","90","","1653.9","0.5","296.2","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0606","","","","0.1894","","","","","","1.744","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150169","9.275","0.001","13.425","0.002","7.83","0.001","106.14","0.01","114.52","0.01","71.4","0.01","828.6","0.2","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C36 H40 O12 -","2","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0564","","","","0.2208","","","","","","1.913","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150170","11.759","0.001","9.091","0.002","15.774","0.001","90","","103.766","0.006","90","","1637.8","0.4","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0606","","","","0.2411","","","","","","1.173","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150171","16.378","0.0003","27.7666","0.0004","30.3256","0.0005","90","","90","","90","","13790.9","0.4","120","1","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C123 H193.5 O35.5 -","- C124.7 H177.6 O35.6 -","- C498.8 H710.4 O142.4 -","4","1","","Armspach, Dominique; Poorters, Laurent; Matt, Dominique; Benmerad, Belkacem; Balegroune, Fadila; Toupet, Loic","A new approach to A,B-difunctionalisation of cyclodextrins using bulky 1,3-bis[bis(aryl)chloromethyl]benzenes as capping reagents.","Organic & biomolecular chemistry","2005","3","14","2588","2592","10.1039/b504012d","","","0.71073","MoKα","","0.1472","0.0828","","","0.2019","0.2537","","","","","","1.107","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150172","5.108","0.007","5.71","0.007","14.903","0.016","79.659","0.01","81.128","0.01","89.62","0.01","422.4","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","1","1","","Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh","beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state.","Organic & biomolecular chemistry","2005","3","12","2250","2254","10.1039/b504112k","","","0.71073","MoKα","","0.067","0.052","","0.1329","0.1146","","","","1.109","1.165","1.165","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150173","5.448","0.006","11.674","0.012","14.81","0.014","79.936","0.01","79.89","0.01","85.346","0.01","911.8","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C34 H48 N4 O10 -","2","1","","Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh","beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state.","Organic & biomolecular chemistry","2005","3","12","2250","2254","10.1039/b504112k","","","0.71073","MoKα","","0.1709","0.0931","","","0.2465","0.2686","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150174","6.565","0.004","8.698","0.005","34.72","0.02","90","","90","","90","","1983","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C88 H104 O24 -","4","1","","Cases, Manuel; Gonzalez-Lopez de Turiso, Felix; Hadjisoteriou, Maria S.; Pattenden, Gerald","Synthetic studies towards furanocembrane diterpenes. A total synthesis of bis-deoxylophotoxin.","Organic & biomolecular chemistry","2005","3","15","2786","2804","10.1039/b504545b","","","0.6861","synchrotron","","0.0982","0.0878","","","0.216","0.222","","","","","","1.09","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150175","10.816","0.002","16.904","0.003","19.35","0.004","90","","90","","90","","3537.8","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C144 H184 N8 O48 -","8","2","","Cases, Manuel; Gonzalez-Lopez de Turiso, Felix; Hadjisoteriou, Maria S.; Pattenden, Gerald","Synthetic studies towards furanocembrane diterpenes. A total synthesis of bis-deoxylophotoxin.","Organic & biomolecular chemistry","2005","3","15","2786","2804","10.1039/b504545b","","","0.71073","MoKα","","0.0647","0.04","","","0.0724","0.0789","","","","","","0.921","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150176","9.408","0.009","11.05","0.01","31.83","0.03","90","","90","","90","","3309","5","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 Na2 O14 P -","- C24 H38 Na2 O14 P -","- C96 H152 Na8 O56 P4 -","4","1","","Babu, Ponnusamy; Chopra, D.; Row, T. N. Guru; Maitra, Uday","Micellar aggregates and hydrogels from phosphonobile salts.","Organic & biomolecular chemistry","2005","3","20","3695","3700","10.1039/b504656d","","","0.71073","MoKα","","0.0563","0.0537","","","0.1508","0.1534","","","","","","1.091","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150177","17.059","0.003","19.498","0.005","19.657","0.003","90","","90","","90","","6538","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis-tetrabutylammonium bis-dihydrogenphosphate 1-(4-nitrophenyl)-3-{2-[3-(4-nitrophenyl)ureido]-cyclohexyl}-urea acetonitrile","","- C54 H101 N9 O14 P2 -","- C54 H101 N9 O14 P2 -","- C216 H404 N36 O56 P8 -","4","1","","Amendola, Valeria; Boiocchi, Massimo; Esteban-Gómez, David; Fabbrizzi, Luigi; Monzani, Enrico","Chiral receptors for phosphate ions.","Organic & biomolecular chemistry","2005","3","14","2632","2639","10.1039/b504931h","","","0.71073","MoKα","","0.1662","0.0771","","","0.1864","0.2367","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150178","11.9376","0.0016","14.0036","0.0019","13.9101","0.0019","90","","107.916","0.002","90","","2212.6","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Acetyl-3-(4-methylphenyl)-1,3,4-thiadiazol-2(3H)-one","","","- C22 H20 N4 O4 S2 -","- C22 H20 N4 O4 S2 -","- C88 H80 N16 O16 S8 -","4","1","","Zahra, Jalal A.; Abu Thaher, Bassam A.; El-Abadelah, Mustafa M; Boese, Roland","3-Mercaptopropionic acid-nitrile imine adducts. An unprecedented cyclization into 1,3,4-thiadiazol-2(3H)-ones and -2(3H)-thiones.","Organic & biomolecular chemistry","2005","3","14","2599","2603","10.1039/b505010c","","","0.71073","MoKα","","0.053","0.0388","","","0.1007","0.1141","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150179","10.0175","0.0008","10.0175","0.0008","21.2378","0.0013","90","","90","","120","","1845.7","0.2","225","2","225","2","","","","","","","synthesis as described","5","P 31","P 31","144","","","","- C31 H25 Cl N2 O -","- C31 H25 Cl N2 O -","- C93 H75 Cl3 N6 O3 -","3","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","x-ray","0.71073","MoKα","","0.0761","0.0387","","","0.0805","0.0905","","","","","","0.962","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150180","12.2564","0.0003","12.2564","0.0003","13.4713","0.0006","90","","90","","90","","2023.65","0.11","100","","100","","","","","","","","","6","P 41 2 2","P 4w 2c","91","","(R,R) N-(1-tert-Butyl-3,3-dimethyl-2-trifluoromethanesulfonylamino-butyl)- C,C,C-trifluoro-methanesulfonamide","","- C12 H22 F6 N2 O4 S2 -","- C12 H22 F6 N2 O4 S2 -","- C48 H88 F24 N8 O16 S8 -","4","0.5","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.044","","","","0.093","","","","","","0.904","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150181","20.6214","0.0006","10.7987","0.0007","9.401","0.003","90","","95.972","0.003","90","","2082.1","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(R,R) N-(1,2-Dicyclohexyl-2-trifluoromethanesulfonylamino-ethyl9- C,C,C-trifluoro-methanesulfonamide","","- C16 H26 F6 N2 O4 S2 -","- C16 H26 F6 N2 O4 S2 -","- C64 H104 F24 N8 O16 S8 -","4","0.5","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.143","","","","0.169","","","","","","1.166","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150182","14.3841","0.0002","14.3841","0.0002","13.98","0.0004","90","","90","","120","","2504.97","0.09","100","","100","","","","","","","","","6","P 32 2 1","P 32 2""","154","","(S,S) C,C,C-Trifluoro-N-(2-trifluoromethanesulfonylamino-cyclohexyl) -methanesulfonamide","","- C9.8 H12 F6 N2 O4 S2 -","- C9.59 H12 F6 N2 O4 S2 -","- C57.54 H72 F36 N12 O24 S12 -","6","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.034","","","","0.036","","","","","","1.027","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150183","11.6353","0.001","11.6353","0.001","52.806","0.009","90","","90","","120","","6191.1","1.3","100","","100","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","(R,R) N-(1,2-Diphenyl-2-trifluoromethanesulfonylamino-ethyl)- C,C,C-trifluoro-methanesulfonamide","","- C16 H14 F6 N2 O4 S2 -","- C16 H14 F6 N2 O4 S2 -","- C192 H168 F72 N24 O48 S24 -","12","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.064","","","","0.081","","","","","","1.7","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150184","11.503","0.008","15.7","0.02","18.53","0.01","90","","92.82","0.03","90","","3342","5","100.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H32 F6 N2 Ni O8 S2 -","- C30 H32 F6 N2 Ni O8 S2 -","- C120 H128 F24 N8 Ni4 O32 S8 -","4","1","","Fossey, John S.; Matsubara, Ryosuke; Vital, Paulo; Kobayashi, Shū","A C2-symmetric nickel diamine complex as an asymmetric catalyst for enecarbamate additions to butane-2,3-dione.","Organic & biomolecular chemistry","2005","3","16","2910","2913","10.1039/b505404d","","","0.7107","MoKα","","","0.024","","","","0.03","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150185","10.055","0.002","13.297","0.002","15.802","0.003","75.124","0.001","74.149","0.002","69.449","0.001","1872.5","0.6","293","","293","","","","","","","","?","4","P -1","-P 1","2","","","","- C40 H44 Br2 O4 -","- C40 H44 Br2 O4 -","- C80 H88 Br4 O8 -","2","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","1.5418","CuKα","","","0.0736","","","","0.0701","","","","","","1.0267","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150186","24.088","0.001","12.665","0.001","17.274","0.001","90","","126.477","0.001","90","","4237.5","0.5","150","","150","","","","","","","","?","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 O2 -","- C26 H28 O2 -","- C208 H224 O16 -","8","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0493","","","","0.0183","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150187","14.921","0.001","18.436","0.002","19.88","0.003","90","","108.21","0.01","90","","5194.8","1.1","293","","293","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 O4 -","- C64 H64 O4 -","- C256 H256 O16 -","4","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","1.5418","CuKα","","","0.1015","","","","0.0829","","","","","","1.0786","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150188","23.851","0.0003","12.333","0.0003","13.074","0.0004","90","","90","","90","","3845.77","0.16","200","","200","","","","","","","","?","4","P n m a","-P 2ac 2n","62","","","","- C20 H22 Br2 O2 -","- C20 H22 Br2 O2 -","- C160 H176 Br16 O16 -","8","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0321","","","","0.0242","","","","","","1.0311","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150189","13.9231","0.0001","35.1563","0.0002","25.7578","0.0002","90","","94.5875","0.0003","90","","12567.7","0.15","150","","150","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C144 H192 O12 -","- C48 H64 O4 -","- C576 H768 O48 -","12","3","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0765","","","","0.08","","","","","","1.0633","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150190","25.714","0.0004","8.002","0.0001","19.113","0.0004","90","","121.009","0.0009","90","","3370.71","0.1","150","","150","","","","","","","","?","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0545","","","","0.0671","","","","","","1.0196","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150191","10.3974","0.0002","13.0709","0.0003","19.4131","0.0003","107.941","0.001","93.567","0.001","97.093","0.001","2476.72","0.09","150","","293","","","","","","","","?","3","P -1","-P 1","2","","","","- C56 H80 O4 -","- C56 H80 O4 -","- C112 H160 O8 -","2","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0537","","","","0.0594","","","","","","1.0599","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150192","7.707","0.0015","17.374","0.004","16.622","0.003","90","","92.17","0.03","90","","2224.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,4,7,10,13,16-hexaoxacyclooctadecane pyrimidine-2,4(1H,3H)- dithione monohydrate","1,4,7,10,13,16-hexaoxacyclooctadecane pyrimidine-2,4(1H,3H)-dithione monohydrate","","- C16 H30 N2 O7 S2 -","- C16 H30 N2 O7 S2 -","- C64 H120 N8 O28 S8 -","4","1","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.0667","0.0452","","","0.1237","0.132","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150193","11.624","0.002","12.698","0.003","12.093","0.002","90","","109.69","0.03","90","","1680.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-anti-cis (B) isomer (2,3,11,12-Dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane) bis(pyrimidine-2,4(1H,3H)- dithione) clathrate","cis-anti-cis (B) isomer (2,3,11,12-Dicyclohexano-1,4,7,10,13,16-hexaoxacyclooctadecane) bis(pyrimidine-2,4(1H,3H)-dithione) clathrate","","- C28 H44 N4 O6 S4 -","- C28 H44 N4 O6 S4 -","- C56 H88 N8 O12 S8 -","2","0.5","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.1279","0.0536","","","0.1129","0.1316","","","","","","0.853","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150194","7.988","0.0016","21.627","0.004","16.439","0.003","90","","93.17","0.03","90","","2835.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-syn-cis (A) isomer (2,3,11,12-Dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane) pyrimidine-2,4(1H,3H)-dithione monohydrate","cis-syn-cis (A) isomer (2,3,11,12-Dicyclohexano-1,4,7,10,13,16-hexaoxacyclooctadecane) pyrimidine-2,4(1H,3H)-dithione monohydrate","","- C24 H42 N2 O7 S2 -","- C24 H42 N2 O7 S2 -","- C96 H168 N8 O28 S8 -","4","1","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.2645","0.0556","","","0.0668","0.0929","","","","","","0.709","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150195","7.973","0.0016","16.918","0.003","17.566","0.004","90","","90","","90","","2369.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,3-benzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2-ene pyrimidine-2,4(1H,3H)-dithione monohydrate","2,3-benzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2-ene pyrimidine-2,4(1H,3H)-dithione monohydrate","","- C20 H30 N2 O7 S2 -","- C20 H30 N2 O7 S2 -","- C80 H120 N8 O28 S8 -","4","1","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.1051","0.0446","","","0.0805","0.0922","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150196","6.936","0.002","16.389","0.003","9.833","0.003","90","","92.78","0.03","90","","1116.4","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","imine","8(R),13(R),23(S),28(S)-7,14,22,29,31,32-hexaazapentacyclo [25.3.1.1^16,20^.0^8,13^.0^23,28^]-dotriconta- 1(31),2,4,6,14,16(32),17,19,21,29-decaene","","- C26 H30 N6 -","- C26 H30 N6 -","- C52 H60 N12 -","2","0.5","","Gregoliński, Janusz; Lisowski, Jerzy; Lis, Tadeusz","New 2+2, 3+3 and 4+4 macrocycles derived from 1,2-diaminocyclohexane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2005","3","17","3161","3166","10.1039/b505909g","","","0.71073","MoKα","","0.11","0.063","","","0.1471","0.1656","","","","","","1.123","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150197","15.577","0.004","30.563","0.009","5.46","0.003","90","","90","","90","","2599.4","1.8","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","imine","8(R),13(R),23(S),28(S),38(R),43(R),53(S),58(S)- 7,14,22,29,37,44,52,59,61,62,63,64-dodecaazananocyclo [55.3.1.1^16,20^.1^31,35^.1^46,50^.0^8,13^.0^23,28^.0^38,43^.0^53,58^] -tetrahexaconta- 1(61),2,4,6,14,16(62),17,19,21,29,31(63),32,34,44,46(64),47,49,51,59 -eicosaene","","- C52 H60 N12 -","- C52 H60 N12 -","- C104 H120 N24 -","2","0.5","","Gregoliński, Janusz; Lisowski, Jerzy; Lis, Tadeusz","New 2+2, 3+3 and 4+4 macrocycles derived from 1,2-diaminocyclohexane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2005","3","17","3161","3166","10.1039/b505909g","","","1.5418","CuKα","","0.1073","0.0655","","","0.1495","0.1754","","","","","","0.903","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150198","14.526","0.0009","7.068","0.0005","13.3397","0.0009","90","","91.506","0.001","90","","1369.11","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 F2 N O4 -","- C13 H19 F2 N O4 -","- C52 H76 F8 N4 O16 -","4","1","","Griffith, Gerry A.; Percy, Jonathan M.; Pintat, Stéphane; Smith, Clive A.; Spencer, Neil; Uneyama, Emi","Towards novel difluorinated sugar mimetics; syntheses and conformational analyses of highly-functionalised difluorinated cyclooctenones.","Organic & biomolecular chemistry","2005","3","15","2701","2712","10.1039/b505978j","","","0.71073","MoKα","","0.0342","0.0323","","","0.0806","0.0818","","","","","","1.042","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150199","9.7709","0.0004","12.8905","0.0005","13.2494","0.0006","70.822","0.002","68.573","0.0018","76.36","0.002","1454.45","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","N-Phenyl-8-methoxy-1-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","2","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.1308","0.0641","","","0.1522","0.1759","","","","","","0.909","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150200","9.377","0.0002","9.7055","0.0002","16.7953","0.0003","90","","91.3607","0.0012","90","","1528.08","0.05","293","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-(Dimethylamino)-N-phenyl-1-naphthamide","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0567","0.0449","","","0.1189","0.1259","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150201","9.8308","0.0002","9.664","0.0003","12.0688","0.0003","85.4547","0.0015","68.6506","0.0014","78.8152","0.0015","1047.58","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","N-(8-Dimethylamino-1-naphthoyl)-N,N-diphenylurea","","- C26 H23 N3 O2 -","- C26 H23 N3 O2 -","- C52 H46 N6 O4 -","2","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0741","0.0511","","","0.1239","0.1357","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150202","15.87","0.0003","5.4817","0.0001","28.7715","0.0008","90","","101.03","0.0008","90","","2456.73","0.09","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(8-Dimethylaminonaphth-1-yl)-2-nitroethene","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0739","0.0482","","","0.117","0.1271","","","","","","0.99","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150203","10.3347","0.0003","7.0992","0.0002","18.2556","0.0005","90","","102.897","0.002","90","","1305.59","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(8-Dimethylaminonaphth-1-yl)-2-nitropropene","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0567","0.0497","","","0.1579","0.1664","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150204","7.7283","0.0002","13.6696","0.0004","15.7465","0.0006","90","","95.5779","0.0012","90","","1655.63","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1-Dimethylbenzo(cd)indolium-2-benzoylnitromethide","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0681","0.0471","","","0.1159","0.1248","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150205","16.1362","0.0014","17.4816","0.0016","30.711","0.003","77.635","0.002","75.632","0.002","65.267","0.002","7562.2","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C172.23 H106 Cl3.11 F12 N6 O15 P2 Ru -","- C172.355 H106 Cl3.058 F12 N6 O15 P2 Ru -","- C344.71 H212 Cl6.116 F24 N12 O30 P4 Ru2 -","2","1","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.1317","0.098","","","0.2824","0.3071","","","","","","1.088","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150206","23.3906","0.0005","11.4829","0.0002","23.2945","0.0006","90","","90","","90","","6256.7","0.2","160","1","160","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H64 F12 Fe N6 O5 P2 -","- C66 H62 F12 Fe N6 O5 P2 -","- C264 H248 F48 Fe4 N24 O20 P8 -","4","0.5","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.1491","0.0751","","","0.1913","0.2337","","","","","","1.021","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150207","23.1733","0.0003","11.9603","0.0001","22.8083","0.0003","90","","90","","90","","6321.54","0.13","160","1","160","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H64 F12 N6 O5 P2 Ru -","- C66 H62 F12 N6 O5 P2 Ru -","- C264 H248 F48 N24 O20 P8 Ru4 -","4","0.5","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.0871","0.0609","","","0.1664","0.1893","","","","","","1.044","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150208","10.8116","0.0001","11.8065","0.0001","40.9023","0.0004","90","","91.049","0.0004","90","","5220.19","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Fe N2 O4 -","- C20 H28 Fe N2 O4 -","- C200 H280 Fe10 N20 O40 -","10","2.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0767","0.0476","","","0.1013","0.1136","","","","","","1.022","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150209","15.479","0.0003","9.342","0.0003","11.04","0.0003","90","","117.071","0.002","90","","1421.54","0.07","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H38 Fe N4 O6 -","- C26 H38 Fe N4 O6 -","- C52 H76 Fe2 N8 O12 -","2","0.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0432","0.0346","","","0.0717","0.0753","","","","","","1.069","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150210","15.49","0.003","9.339","0.0019","11.036","0.002","90","","117.09","0.03","90","","1421.3","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H38 Fe N4 O6 -","- C26 H38 Fe N4 O6 -","- C52 H76 Fe2 N8 O12 -","2","0.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0488","0.0393","","","0.0755","0.081","","","","","","1.058","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150211","14.5548","0.0002","7.2083","0.0001","17.2662","0.0004","90","","103.938","0.001","90","","1758.15","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C80 H88 N8 O20 -","4","1","","Mateo Alonso, A.; Horcajada, Roberto; Groombridge, Helen J.; Chudasama Née Mandalia, Reshma; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","Synthesis of phenazine derivatives for use as precursors to electrochemically generated bases.","Organic & biomolecular chemistry","2005","3","15","2832","2841","10.1039/b506295k","","","0.71073","MoKα","","0.067","0.0432","","","0.1058","0.1167","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150212","21.854","0.012","10.992","0.005","7.77","0.01","90","","90.01","0.07","90","","1867","3","160","2","160","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Mateo Alonso, A.; Horcajada, Roberto; Groombridge, Helen J.; Chudasama Née Mandalia, Reshma; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","Synthesis of phenazine derivatives for use as precursors to electrochemically generated bases.","Organic & biomolecular chemistry","2005","3","15","2832","2841","10.1039/b506295k","","","0.71073","MoKα","","0.1357","0.066","","","0.1564","0.1887","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150213","8.6059","0.0001","11.6484","0.0001","25.9199","0.0003","90","","90","","90","","2598.34","0.05","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O4 -","- C30 H35 N O4 -","- C120 H140 N4 O16 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","0.0417","0.0322","","0.047","0.0381","0.0381","","","","","","1.1199","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150214","9.4415","0.0001","15.0875","0.0002","18.297","0.0003","90","","90","","90","","2606.38","0.06","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","0.0444","0.0379","","0.0501","0.0442","0.0442","","","","","","1.1113","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150215","10.0421","0.0002","9.1315","0.0002","25.1731","0.0008","90","","95.1151","0.0009","90","","2299.17","0.1","190","","190","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O2 -","- C28 H31 N O2 -","- C112 H124 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","","0.0873","","","","0.0784","","","","","","1.0124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150216","10.54","0.02","25.92","0.02","16.25","0.01","90","","100.15","0.02","90","","4370","9","153.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 O4 -","- C58 H48 O4 -","- C232 H192 O16 -","4","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.0437","","","","0.1093","","","","","","1.146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150217","11.977","0.003","24.465","0.006","12.25","0.004","90","0.002","110.328","0.002","90","0.002","3365.9","1.6","293.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 O2 -","- C48 H30 O2 -","- C192 H120 O8 -","4","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.062","","","","0.164","","","","","","0.888","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150218","18.425","0.007","34.5","0.01","10.674","0.004","90","0.002","115.457","0.003","90","0.002","6126","4","293.1","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H42 Cl12 O4 Sb2 -","- C52 H42 Cl12 O4 Sb2 -","- C208 H168 Cl48 O16 Sb8 -","4","0.5","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.0542","","","","0.1598","","","","","","0.74","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150219","11.219","0.004","12.48","0.005","16.557","0.007","86.02","0.01","89.83","0.01","64.63","0.01","2088.7","1.4","293.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H32 Cl6 O3 -","- C50 H32 Cl6 O3 -","- C100 H64 Cl12 O6 -","2","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.0676","","","","0.1756","","","","","","1.357","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150220","57.17","0.01","35.88","0.009","10.483","0.003","90","","90","","90","","21503","9","153.1","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C49.5 H30 Cl15 O2 Sb2 -","- C49.5 H30 Cl15 O2 Sb2 -","- C792 H480 Cl240 O32 Sb32 -","16","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.056","","","","0.2134","","","","","","0.451","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150221","14.9686","0.0005","17.0315","0.0008","24.6488","0.0011","102.373","0.005","91.482","0.005","107.245","0.005","5835.1","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H138 N8 O17 -","- C120 H138 N8 O17 -","- C240 H276 N16 O34 -","2","1","","Ghosh, Pradyut; Federwisch, Guido; Kogej, Michael; Schalley, Christoph A.; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Gschwind, Ruth M.","Controlling the rate of shuttling motions in [2]rotaxanes by electrostatic interactions: a cation as solvent-tunable brake.","Organic & biomolecular chemistry","2005","3","15","2691","2700","10.1039/b506756a","","","0.71073","MoKα","","0.2041","0.1215","","","0.3191","0.3678","","","","","","1.048","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150222","10.805","0.002","10.863","0.002","19.502","0.004","90","","90","","90","","2289","0.8","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N3 -","- C12 H19 N3 -","- C96 H152 N24 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1854","0.128","","","0.1902","0.2049","","","","","","1.259","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150223","10.0306","0.0011","13.513","0.0013","14.3379","0.0015","108.817","0.005","104.119","0.015","103.132","0.006","1682","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Revised CIF","","","- C33.33 H37.33 Cl N3 O6 S3 -","- C33.33 H37 Cl0.99 N3 O6 S3 -","- C66.66 H74 Cl1.98 N6 O12 S6 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1009","0.0619","","","0.1396","0.1598","","","","","","1.033","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150224","8.7647","0.0004","11.2725","0.0006","12.7812","0.0008","82.1469","0.0024","71.7511","0.0023","69.0389","0.0032","1119.48","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Cl3 N3 O13 -","- C14 H28 Cl3 N3 O13 -","- C28 H56 Cl6 N6 O26 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0841","0.0662","","","0.1489","0.1571","","","","","","1.114","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150225","16.6393","0.0008","12.0999","0.0007","18.0854","0.0011","90","","115.568","0.0028","90","","3284.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 N3 O6 S3 -","- C35 H41 N3 O6 S3 -","- C140 H164 N12 O24 S12 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1006","0.0549","","","0.1075","0.1234","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150226","11.0558","0.0005","11.6209","0.0005","15.1984","0.0007","90","","107.842","0.0026","90","","1858.75","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Br3 N3 -","- C14 H26 Br3 N3 -","- C56 H104 Br12 N12 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0811","0.0555","","","0.1253","0.1371","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150227","9.5996","0.0003","10.1003","0.0004","17.1572","0.0006","90","","93.8496","0.002","90","","1659.79","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl3 N3 -","- C14 H26 Cl3 N3 -","- C56 H104 Cl12 N12 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.043","0.0313","","","0.0645","0.0681","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150228","5.4382","0.0003","16.5549","0.0009","19.6525","0.0013","90","","91.581","0.002","90","","1768.62","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 F5 N3 O -","- C14 H29 F5 N3 O -","- C56 H116 F20 N12 O4 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.2775","0.0713","","","0.1104","0.1605","","","","","","0.886","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150229","12.5482","0.0008","14.9721","0.0011","17.298","0.0014","90","","91.7346","0.0029","90","","3248.3","0.4","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 N4 -","- C16 H28 N4 -","- C128 H224 N32 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1595","0.0572","","","0.1109","0.1485","","","","","","0.957","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150230","14.893","0.0004","18.055","0.0006","10.0567","0.0009","90","","90","","90","","2704.2","0.3","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H34 Br Cl3 N4 O13 -","- C16 H32 Br Cl3 N4 O13 -","- C64 H128 Br4 Cl12 N16 O52 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1153","0.0922","","","0.1944","0.2047","","","","","","1.137","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150231","11.8732","0.0012","13.1219","0.001","15.1537","0.0011","88.4512","0.0067","86.6823","0.0059","68.4241","0.0061","2191.8","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H52 N4 O8 S4 -","- C44 H52 N4 O8 S4 -","- C88 H104 N8 O16 S8 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1759","0.0988","","","0.1352","0.1583","","","","","","1.107","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150232","21.1345","0.0008","11.3695","0.0005","19.3298","0.0007","90","","111.385","0.004","90","","4324.9","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","L3-HF","","","- C16 H39 F5 N4 O3 -","- C16 H38.79 F4.79 N4 O3 -","- C128 H310.32 F38.32 N32 O24 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1535","0.0523","","","0.084","0.1087","","","","","","0.929","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150233","9.4815","0.0008","11.0386","0.001","11.4504","0.001","88.5738","0.0023","68.2659","0.0019","86.0713","0.0022","1110.62","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 Br4 N4 -","- C16 H32 Br4 N4 -","- C32 H64 Br8 N8 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.235","0.1621","","","0.2677","0.3011","","","","","","1.166","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150234","29.725","0.003","6.348","0.0007","22.054","0.003","90","","93.999","0.004","90","","4151.3","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Revised CIF","","","- C14 H30 Cl4 N4 O1.5 -","- C14 H30 Cl4 N4 O1.5 -","- C112 H240 Cl32 N32 O12 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1095","0.0457","","","0.0864","0.1099","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150235","10.0881","0.001","30.6387","0.0009","15.8038","0.001","90","","94.292","0.003","90","","4871","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Cl4 N4 O8 S4 -","- C44 H50 Cl3.98 N4 O8 S4 -","- C176 H200 Cl15.92 N16 O32 S16 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0982","0.0526","","","0.111","0.1294","","","","","","1.022","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150236","33.7945","0.0018","11.5702","0.0008","15.8028","0.0009","90","","103.859","0.005","90","","5999.1","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 I7 N5 -","- C16 H34 I7 N5 -","- C128 H272 I56 N40 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.133","0.0555","","","0.1082","0.1306","","","","","","1.011","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150237","8.4897","0.0009","11.1914","0.0011","14.9026","0.001","82.7077","0.0064","81.8566","0.0054","69.501","0.0058","1308.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H38 Br5 N5 O2 -","- C16 H34 Br5 N5 O2 -","- C32 H68 Br10 N10 O4 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0987","0.0707","","","0.1473","0.1597","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150238","10.5378","0.0008","11.8423","0.0006","20.8415","0.0012","81.0248","0.0041","78.1161","0.0036","87.7689","0.0035","2513.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","CIF","","","- C16 H39 Cl5 N5 O2.5 -","- C16 H36 Cl5 N5 O2.5 -","- C64 H144 Cl20 N20 O10 -","4","2","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1771","0.1078","","","0.1783","0.2058","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150239","9.862","0.002","10.525","0.002","12.113","0.002","97.654","0.002","100.99","0.002","103.968","0.003","1176.4","0.4","120","2","173","2","","","","","","","","5","P -1","-P 1","2","2,5,8,11,14-pentazaz(15)metacyclophane pentahydrochloride monohydrate","2,5,8,11,14-pentazaz[15]metacyclophane pentahydrochloride monohydrate","","- C16 H38 Cl5 N5 O -","- C16 H32 Cl5 N5 O -","- C32 H64 Cl10 N10 O2 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0655","0.0434","","","0.093","0.1029","","","","","","1.048","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150240","13.925","0.002","16.012","0.002","22.88","0.002","90","","98.651","0.008","90","","5043.4","1.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","l5-tS5","","","- C51 H59 N5 O10 S5 -","- C51 H59 N5 O10 S5 -","- C204 H236 N20 O40 S20 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.2499","0.187","","","0.294","0.3184","","","","","","1.319","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150241","9.319","0.002","12.579","0.003","27.029","0.007","90","","90","","90","","3168.4","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H21 F2 N O5 -","- C15 H21 F2 N O5 -","- C120 H168 F16 N8 O40 -","8","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0395","0.0338","","","0.082","0.0849","","","","","","1.038","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150242","10.4325","0.0007","11.7993","0.0008","14.7171","0.001","90","","92.051","0.001","90","","1810.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F2 N O5 S -","- C18 H19 F2 N O5 S -","- C72 H76 F8 N4 O20 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0443","0.0386","","","0.1049","0.1079","","","","","","1.051","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150243","9.9999","0.0005","8.3226","0.0004","19.8738","0.001","90","","94.609","0.001","90","","1648.65","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F2 O6 S -","- C17 H16 F2 O6 S -","- C68 H64 F8 O24 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0336","0.0309","","","0.0796","0.0816","","","","","","1.053","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150244","8.806","0.002","22.25","0.006","11.795","0.003","90","","98.871","0.004","90","","2283.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 F2 N O6 S -","- C21 H27 F2 N O6 S -","- C84 H108 F8 N4 O24 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0485","0.0406","","","0.1051","0.1097","","","","","","1.038","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150245","17.875","0.003","6.5609","0.0012","15.029","0.003","90","","93.158","0.003","90","","1759.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 F2 O5 S -","- C18 H20 F2 O5 S -","- C72 H80 F8 O20 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0929","0.0611","","","0.1416","0.1545","","","","","","1.054","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150246","10.5327","0.0018","11.552","0.002","16.158","0.003","75.465","0.003","71.827","0.003","68.79","0.003","1720.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 F2 O4 -","- C18 H22 F2 O4 -","- C72 H88 F8 O16 -","4","2","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0459","0.0381","","","0.0923","0.0968","","","","","","1.019","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150247","14.113","0.001","12.461","0.001","8.528","0.001","90","","90","","90","","1499.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 I N O3 -","- C14 H18 I N O3 -","- C56 H72 I4 N4 O12 -","4","1","","Adler, Thomas; Bonjoch, Josep; Clayden, Jonathan; Font-Bardía, Mercè; Pickworth, Mark; Solans, Xavier; Solé, Daniel; Vallverdú, Lluís","Slow interconversion of enantiomeric conformers or atropisomers of anilide and urea derivatives of 2-substituted anilines.","Organic & biomolecular chemistry","2005","3","17","3173","3183","10.1039/b507202f","","","0.71069","MoKα","","0.0471","0.0389","","","0.0889","0.0945","","","","","","1.12","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150248","9.7073","0.0014","10.569","0.0014","10.9986","0.0015","92.126","0.011","109.791","0.01","101.734","0.011","1032.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 O8 -","- C46 H48 N4 O8 -","- C46 H48 N4 O8 -","1","0.5","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.0674","0.0434","","","0.1031","0.1098","","","","","","0.972","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150249","11.4637","0.0008","18.3534","0.0012","19.8397","0.0014","74.256","0.005","85.809","0.006","83.824","0.005","3990.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 Cl N4 O8.5 -","- C41 H43 Cl N4 O8.5 -","- C164 H172 Cl4 N16 O34 -","4","2","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.0916","0.0753","","","0.2126","0.226","","","","","","1.01","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150250","10.3157","0.0011","12.4728","0.0012","17.753","0.002","99.611","0.008","103.81","0.008","99.245","0.008","2138.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 O8 -","- C46 H48 N4 O8 -","- C92 H96 N8 O16 -","2","1","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.0964","0.0661","","","0.1962","0.2161","","","","","","0.971","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150251","10.4041","0.0019","10.6679","0.0019","11.557","0.002","105.672","0.014","91.147","0.015","108.061","0.014","1166.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 N2 O4 -","- C54 H66 N2 O4 -","- C54 H66 N2 O4 -","1","0.5","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.1132","0.0983","","","0.316","0.3313","","","","","","1.222","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150252","7.6807","0.0001","13.2365","0.0001","24.25","0.0003","90","","93.2","0.001","90","","2461.55","0.05","100","","100","","","","","","","","solvent","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 -","- C32 H34 -","- C128 H136 -","4","1","","Nehls, Benjamin S.; Galbrecht, Frank; Bilge, Askin; Brauer, David J.; Lehmann, Christian W.; Scherf, Ullrich; Farrell, Tony","Synthesis and spectroscopy of an oligophenyl based cruciform with remarkable pi-pi assisted folding.","Organic & biomolecular chemistry","2005","3","17","3213","3219","10.1039/b508125d","","","1.54178","CuKα","","0.0431","0.0424","","","0.1072","0.1078","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150253","26.1849","0.0006","15.839","0.0004","10.076","0.0002","90","","103.728","0.001","90","","4059.57","0.16","100","","100","","","","","","","","deuterated THF","2","C 1 2/c 1","-C 2yc","15","","","","- C52 H58 -","- C52 H58 -","- C208 H232 -","4","0.5","","Nehls, Benjamin S.; Galbrecht, Frank; Bilge, Askin; Brauer, David J.; Lehmann, Christian W.; Scherf, Ullrich; Farrell, Tony","Synthesis and spectroscopy of an oligophenyl based cruciform with remarkable pi-pi assisted folding.","Organic & biomolecular chemistry","2005","3","17","3213","3219","10.1039/b508125d","","","0.71073","MoKα","","0.0946","0.0636","","","0.1381","0.1529","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150254","8.7805","0.0017","9.1484","0.0019","13.906","0.003","79.21","0.017","87.892","0.017","84.473","0.016","1092","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","6,8-Dichloro-7-methyl-7H-(1,2,3,4,5)pentathiepino(6,7- c)pyrrole","6,8-Dichloro-7-methyl-7H-[1,2,3,4,5]pentathiepino[6,7-c]pyrrole","","- C5 H3 Cl2 N S5 -","- C5 H3 Cl2 N S5 -","- C20 H12 Cl8 N4 S20 -","4","2","","Amelichev, Stanislav A.; Konstantinova, Lidia S.; Lyssenko, Konstantin A.; Rakitin, Oleg A.; Rees, Charles W.","Direct synthesis of fused 1,2,3,4,5-pentathiepins.","Organic & biomolecular chemistry","2005","3","19","3496","3501","10.1039/b508186f","","","0.71073","MoKα","","0.0673","0.0384","","","0.0968","0.1022","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150255","8.7306","0.0012","9.4354","0.0013","16.064","0.002","90","","93.761","0.003","90","","1320.4","0.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6,8-Dichloro-7-t-butyl-7H-(1,2,3,4,5)pentathiepino(6,7- c)pyrrole","6,8-Dichloro-7-t-butyl-7H-[1,2,3,4,5]pentathiepino[6,7-c]pyrrole","","- C8 H9 Cl2 N S5 -","- C8 H9 Cl2 N S5 -","- C32 H36 Cl8 N4 S20 -","4","1","","Amelichev, Stanislav A.; Konstantinova, Lidia S.; Lyssenko, Konstantin A.; Rakitin, Oleg A.; Rees, Charles W.","Direct synthesis of fused 1,2,3,4,5-pentathiepins.","Organic & biomolecular chemistry","2005","3","19","3496","3501","10.1039/b508186f","","","0.71073","MoKα","","0.0416","0.0362","","","0.0841","0.0876","","","","","","0.978","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150256","7.569","0.004","18.652","0.002","8.388","0.002","90","","103.69","0.03","90","","1150.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C48 H56 N8 O4 S4 -","4","1","","Pesquet, Anthony; Daïch, Adam; Decroix, Bernard; Van Hijfte, Luc","Acid-catalysed formation of tricyclic N,S-acetals in imidazolinone series based on the use of the unprecedented N-acyliminium ion cascade reaction involving transposition, heterocyclisation and pi-cyclisation.","Organic & biomolecular chemistry","2005","3","21","3937","3947","10.1039/b508214e","","","0.71069","MoKα","","0.0555","0.0358","","","0.0944","0.0996","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150257","19.225","0.008","10.95","0.004","6.047","0.009","90","","90","","90","","1273","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Pesquet, Anthony; Daïch, Adam; Decroix, Bernard; Van Hijfte, Luc","Acid-catalysed formation of tricyclic N,S-acetals in imidazolinone series based on the use of the unprecedented N-acyliminium ion cascade reaction involving transposition, heterocyclisation and pi-cyclisation.","Organic & biomolecular chemistry","2005","3","21","3937","3947","10.1039/b508214e","","","0.71069","MoKα","","0.0614","0.0483","","","0.1457","0.154","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150260","7.6162","0.0005","9.1924","0.0005","10.6592","0.0006","107.647","0.001","97.265","0.001","110.172","0.001","644.88","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N O5 S -","- C12 H11 N O5 S -","- C24 H22 N2 O10 S2 -","2","1","","Nikolaev, Vsevolod; Hennig, Lothar; Sieler, Jochim; Rodina, Ludmila; Schulze, Barbel; Nikolaev, Valerij","Cyclic and acyclic sulfonimides in reactions with Rh(II)-ketocarbenoids: a new access to chemoselective O-functionalization of the imidic carbonyl groups.","Organic & biomolecular chemistry","2005","3","22","4108","4116","10.1039/b508317f","","","0.71073","MoKα","","0.0417","0.0379","","","0.1069","0.1104","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150261","8.0512","0.0014","8.7739","0.0016","11.745","0.002","91.894","0.003","105.771","0.003","90.555","0.003","797.9","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Cl N O7 S -","- C13 H14 Cl N O7 S -","- C26 H28 Cl2 N2 O14 S2 -","2","1","","Nikolaev, Vsevolod; Hennig, Lothar; Sieler, Jochim; Rodina, Ludmila; Schulze, Barbel; Nikolaev, Valerij","Cyclic and acyclic sulfonimides in reactions with Rh(II)-ketocarbenoids: a new access to chemoselective O-functionalization of the imidic carbonyl groups.","Organic & biomolecular chemistry","2005","3","22","4108","4116","10.1039/b508317f","","","0.71073","MoKα","","0.0639","0.0425","","","0.1046","0.1219","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150262","14.153","0.001","14.153","","25.881","0.002","90","","90","","120","","4489.6","0.5","296.2","","296.2","","","","","","","","","5","P 61","P 61","169","","","","- C27 H33 Cl O9 Si -","- C27 H32 Cl O9 Si -","- C162 H192 Cl6 O54 Si6 -","6","1","","Bailey, Simon; Helliwell, Madeleine; Teerawutgulrag, Aphiwat; Thomas, Eric J.","A total synthesis of milbemycin G: approaches to the C1-C10-fragment and completion of the synthesis.","Organic & biomolecular chemistry","2005","3","20","3654","3677","10.1039/b508675b","","","1.5418","CuKα","","","0.0907","","","0.0954","","","","","2.499","2.499","","","","","has coordinates","209484","2020-10-21","18:00:00",""
"7150263","14.792","0.002","28.3","0.004","8.5666","0.0009","90","","90","","90","","3586.1","0.8","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O10 Si -","- C35 H44 O10 Si -","- C140 H176 O40 Si4 -","4","1","","Bailey, Simon; Helliwell, Madeleine; Teerawutgulrag, Aphiwat; Thomas, Eric J.","A total synthesis of milbemycin G: approaches to the C1-C10-fragment and completion of the synthesis.","Organic & biomolecular chemistry","2005","3","20","3654","3677","10.1039/b508675b","","","1.5418","CuKα","","","0.0484","","","0.0602","","","","","2.173","2.173","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7150264","7.6072","0.0017","24.695","0.004","11.851","0.003","90","","108.06","0.03","90","","2116.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Anilino-6-(N-tert-butyloxycarbonylmethylanilino)-3-nitropyridine","","- C23 H24 N4 O4 -","- C23 H24 N4 O4 -","- C92 H96 N16 O16 -","4","1","","Schmid, Sylvia; Röttgen, Martin; Thewalt, Ulf; Austel, Volkhard","Synthesis and conformational properties of 2,6-bis-anilino-3-nitropyridines.","Organic & biomolecular chemistry","2005","3","18","3408","3421","10.1039/b508819b","","","0.71073","MoKα","","0.0595","0.037","","","0.08","0.0849","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150265","10.113","0.002","12.417","0.003","14.105","0.003","107.48","0.03","95.21","0.03","102.18","0.03","1628.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Anilino-2-(N-methylanilino)-3-nitropyridine","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","2","","Schmid, Sylvia; Röttgen, Martin; Thewalt, Ulf; Austel, Volkhard","Synthesis and conformational properties of 2,6-bis-anilino-3-nitropyridines.","Organic & biomolecular chemistry","2005","3","18","3408","3421","10.1039/b508819b","","","0.71073","MoKα","","0.0774","0.0415","","","0.087","0.0966","","","","","","0.985","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150266","8.5952","0.0016","9.79","0.002","13.308","0.002","72.57","0.02","83.91","0.02","75.36","0.02","1033.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-Anilino-6-(N-tert-bytyloxycarbonylanilino)-3-nitropyridine","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C44 H44 N8 O8 -","2","1","","Schmid, Sylvia; Röttgen, Martin; Thewalt, Ulf; Austel, Volkhard","Synthesis and conformational properties of 2,6-bis-anilino-3-nitropyridines.","Organic & biomolecular chemistry","2005","3","18","3408","3421","10.1039/b508819b","","","0.71073","MoKα","","0.0588","0.0401","","","0.1023","0.109","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150267","9.1402","0.0017","12.351","0.002","15.852","0.003","90","","97.942","0.003","90","","1772.4","0.6","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F3 N2 O3 Pd S -","- C15 H17 F3 N2 O3 Pd S -","- C60 H68 F12 N8 O12 Pd4 S4 -","4","1","","Lu, Zhong-Lin; Neverov, Alexei A.; Brown, R. Stan","An ortho-palladated dimethylbenzylamine complex as a highly efficient turnover catalyst for the decomposition of P=S insecticides. Mechanistic studies of the methanolysis of some P=S-containing phosphorothioate triesters.","Organic & biomolecular chemistry","2005","3","18","3379","3387","10.1039/b508917d","","","0.71073","MoKα","","0.046","0.03","","","0.0601","0.0649","","","","","","1.041","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150268","9.5463","0.0018","16.258","0.004","18.117","0.004","90","","90","","90","","2811.8","1.1","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cl N2 Pd -","- C14 H17 Cl N2 Pd -","- C112 H136 Cl8 N16 Pd8 -","8","1","","Lu, Zhong-Lin; Neverov, Alexei A.; Brown, R. Stan","An ortho-palladated dimethylbenzylamine complex as a highly efficient turnover catalyst for the decomposition of P=S insecticides. Mechanistic studies of the methanolysis of some P=S-containing phosphorothioate triesters.","Organic & biomolecular chemistry","2005","3","18","3379","3387","10.1039/b508917d","","","0.71073","MoKα","","0.0577","0.0329","","","0.0595","0.0641","","","","","","0.928","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150269","29.189","0.0014","4.9244","0.0003","19.8157","0.0011","90","","123.921","0.002","90","","2363.5","0.2","150","","150","","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C96 H112 O40 -","8","1","","Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E.","A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin.","Organic & biomolecular chemistry","2005","3","19","3488","3495","10.1039/b508972g","","","0.71073","MoKα","","0.0782","0.0483","","0.0712","0.0599","0.0599","","","","","","1.0723","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150270","19.4765","0.0003","9.6966","0.0002","21.0587","0.0004","90","","94.5151","0.0008","90","","3964.72","0.13","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 O2 -","- C23 H32 O2 -","- C184 H256 O16 -","8","2","","Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E.","A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin.","Organic & biomolecular chemistry","2005","3","19","3488","3495","10.1039/b508972g","","","0.71073","MoKα","","0.0853","0.0432","","0.0695","0.0524","0.0524","","","","","","1.1038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150271","8.8435","0.0003","13.404","0.0005","10.6982","0.0003","90","","105.571","0.0018","90","","1221.6","0.07","150","","150","","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","alboatrin","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E.","A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin.","Organic & biomolecular chemistry","2005","3","19","3488","3495","10.1039/b508972g","","","0.71073","MoKα","","0.0569","0.0378","","0.0544","0.0498","0.0498","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150272","16.999","0.005","11.735","0.008","17.495","0.01","90","","112.405","0.017","90","","3227","3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 O8 -","- C36 H44 O8 -","- C144 H176 O32 -","4","1","","Larsen, Lesley; Benn, Michael H.; Parvez, Masood; Perry, Nigel B.","A cytotoxic triketone-phloroglucinol-bullatenone hybrid from Lophomyrtus bullata.","Organic & biomolecular chemistry","2005","3","17","3236","3241","10.1039/b509076h","","","0.71073","MoKα","","0.122","0.061","","","0.145","0.177","","","","","","1.02","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150273","25.41","0.03","5.071","0.007","15.318","0.017","90","","106.77","0.01","90","","1890","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H54 N4 O10 S2 -","- C30 H54 N4 O10 S2 -","- C60 H108 N8 O20 S4 -","2","0.5","","Das, Apurba Kumar; Drew, Michael G. B.; Haldar, Debasish; Banerjee, Arindam","The role of the disulfide bond in amyloid-like fibrillogenesis in a model peptide system.","Organic & biomolecular chemistry","2005","3","19","3502","3507","10.1039/b509083k","","","0.71073","MoKα","","0.0927","0.0807","","","0.1717","0.1785","","","","","","1.176","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150274","9.934","0.004","5.408","0.002","22.042","0.001","90","","96.59","0.01","90","","1176.3","0.6","293","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","idoazeridine","idoazeridine","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C52 H62 N2 O12 -","2","1","","Dhavale, Dilip D.; Kumar, K. S. Ajish; Chaudhari, Vinod D.; Sharma, Tarun; Sabharwal, Sushma G.; Prakashareddy, J.","Aziridine carboxylate from D-glucose: synthesis of polyhydroxylated piperidine, pyrrolidine alkaloids and study of their glycosidase inhibition.","Organic & biomolecular chemistry","2005","3","20","3720","3726","10.1039/b509216g","","","0.71073","MoKα","","0.0814","0.0631","","","0.1485","0.1554","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150275","9.3831","0.0008","9.6997","0.0009","10.247","0.0009","117.46","0.002","95.447","0.001","106.754","0.001","763.39","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 O8 S2 -","- C32 H34 O8 S2 -","- C32 H34 O8 S2 -","1","0.5","","Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm","Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films.","Organic & biomolecular chemistry","2005","3","20","3757","3766","10.1039/b509917j","","","0.71073","MoKα","","0.1246","0.0619","","","0.1297","0.1559","","","","","","1.01","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150276","8.8583","0.0005","9.1667","0.0005","15.4654","0.0004","88.41","0.001","80.604","0.003","65.605","0.003","1127.25","0.1","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H70 O6 -","- C52 H70 O6 -","- C52 H70 O6 -","1","0.5","","Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm","Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films.","Organic & biomolecular chemistry","2005","3","20","3757","3766","10.1039/b509917j","","","0.71073","MoKα","","0.0778","0.0467","","","0.1298","0.1551","","","","","","0.983","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150277","8.72","0.005","12.944","0.009","8.918","0.005","90","0.02","100.47","0.04","90","0.03","989.8","1.1","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm","Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films.","Organic & biomolecular chemistry","2005","3","20","3757","3766","10.1039/b509917j","","","1.5418","CuKα","","0.0814","0.0606","","","0.1554","0.1744","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150278","9.932","0.0005","11.5642","0.0006","14.7502","0.0004","90","","90","","90","","1694.14","0.13","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O S -","- C20 H24 O S -","- C80 H96 O4 S4 -","4","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0532","0.0383","","","0.0887","0.0967","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150279","9.9622","0.0003","11.5421","0.0003","14.9696","0.0003","90","","90","","90","","1721.28","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O S -","- C20 H24 O S -","- C80 H96 O4 S4 -","4","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0487","0.0404","","","0.0953","0.1001","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150280","10.8751","0.0003","13.6785","0.0004","16.9532","0.0004","74.165","0.002","75.054","0.002","69.839","0.001","2239.71","0.11","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C27 H30 O2 S -","- C27 H30 O2 S -","- C108 H120 O8 S4 -","4","2","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0698","0.0448","","","0.0976","0.109","","","","","","1.044","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7150281","21.1744","0.0009","21.1744","0.0009","9.5008","0.0006","90","","90","","90","","4259.7","0.4","173","2","173","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","","","","- C24 H32 O2 S -","- C24 H32 O2 S -","- C192 H256 O16 S8 -","8","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.1263","0.0684","","","0.1453","0.178","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150282","25.1991","0.0004","8.6736","0.0002","12.6158","0.0002","90","","90","","90","","2757.4","0.09","150","","150","","","","","","","","synthesis as described","3","P b c n","-P 2n 2ab","60","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C136 H128 N32 -","8","1","","Wong, Wallace W. H.; Vickers, Matthew S.; Cowley, Andrew R.; Paul, Rowena L.; Beer, Paul D.","Tetrakis(imidazolium) macrocyclic receptors for anion binding.","Organic & biomolecular chemistry","2005","3","23","4201","4208","10.1039/b510068b","","","0.71073","MoKα","","0.0612","0.0337","","0.0596","0.0381","0.0381","","","","","","1.1219","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150283","9.6741","0.0002","12.6292","0.0002","13.1081","0.0002","65.7093","0.001","71.7542","0.0009","83.9297","0.0007","1385.83","0.04","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C46 H54 F24 N10 P4 -","- C46 H54 F24 N10 P4 -","- C46 H54 F24 N10 P4 -","1","0.5","","Wong, Wallace W. H.; Vickers, Matthew S.; Cowley, Andrew R.; Paul, Rowena L.; Beer, Paul D.","Tetrakis(imidazolium) macrocyclic receptors for anion binding.","Organic & biomolecular chemistry","2005","3","23","4201","4208","10.1039/b510068b","","","0.71073","MoKα","","0.1081","0.0526","","0.094","0.0611","0.0611","","","","","","1.1089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150284","17.771","0.005","10.833","0.002","15.115","0.004","90","","124.564","0.018","90","","2396.2","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,4'-dihydroxybenzil","","","- C14 H10 O4 -","- C14 H10 O4 -","- C112 H80 O32 -","8","1","","Lion, Cedric J.; Vasselin, David A.; Schwalbe, Carl H.; Matthews, Charles S.; Stevens, Malcolm F. G.; Westwell, Andrew D.","Novel reaction products from the hypervalent iodine oxidation of hydroxylated stilbenes and isoflavones.","Organic & biomolecular chemistry","2005","3","21","3996","4001","10.1039/b510240e","","","0.71073","MoKα","","0.07","0.0435","","","0.1113","0.1268","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150285","8.7617","0.0012","12.4255","0.0016","37.845","0.005","90","","94.123","0.003","90","","4109.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl2 N O3 S -","- C20 H19 Cl2 N O3 S -","- C160 H152 Cl16 N8 O24 S8 -","8","2","","Zhao, Gui-Ling; Shi, Min","Baylis-Hillman reactions of N-tosyl aldimines and aryl aldehydes with 3-methylpenta-3,4-dien-2-one.","Organic & biomolecular chemistry","2005","3","20","3686","3694","10.1039/b510572b","","","0.71073","MoKα","","0.1297","0.0653","","","0.1469","0.177","","","","","","0.92","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150286","7.7703","0.0001","20.6759","0.0003","11.1315","0.0002","90","","95.594","0.001","90","","1779.85","0.05","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-(4-Pyrrolidino)-(2,3,5,6-tetrachloropyridin-4-yl)- pyridinium tetrafluoroborate","1-(4-Pyrrolidino)-[2,3,5,6-tetrachloropyridin-4-yl]-pyridinium tetrafluoroborate","","- C14 H12 B Cl4 F4 N3 -","- C14 H12 B Cl4 F4 N3 -","- C56 H48 B4 Cl16 F16 N12 -","4","1","","Schmidt, Andreas; Mordhorst, Thorsten; Nieger, Martin","From uncharged to decacationic molecules: syntheses and spectroscopic properties of heteroarenium-substituted pyridines.","Organic & biomolecular chemistry","2005","3","20","3788","3793","10.1039/b510627c","","","0.71073","MoKα","","0.0392","0.032","","","0.0798","0.0831","","","","","","1.049","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150287","10.244","0.002","13.92","0.003","13.155","0.003","90","","92.4243","0.0017","90","","1874.2","0.7","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C80 H72 N8 O32 -","8","2","","Palmer, Francine N.; Lach, Franck; Poriel, Cyril; Pepper, Adrian G.; Bagley, Mark C.; Slawin, Alexandra M. Z.; Moody, Christopher J.","The diazo route to diazonamide A: studies on the tyrosine-derived fragment.","Organic & biomolecular chemistry","2005","3","20","3805","3811","10.1039/b510653b","","","0.71073","MoKα","","0.0471","0.0367","","","0.0886","0.0937","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150288","8.418","0.003","13.169","0.009","15.523","0.013","90","","90","","90","","1721","2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","bis(1,2,3,4-tetramethylcyclopentadienyl)selenium","bis(1,2,3,4-tetramethylcyclopentadienyl)selenium","","- C18 H26 Se -","- C18 H26 Se -","- C72 H104 Se4 -","4","1","","Ford, Susan; Hofmann, Marco; Morley, Christopher P.; Roberts, John L.; Di Vaira, Massimo","Tetramethylcyclopentadienylselenium derivatives.","Organic & biomolecular chemistry","2005","3","21","3990","3995","10.1039/b510981g","","","1.5418","CuKα","","0.0302","0.0295","","","0.0741","0.0748","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150289","7.325","0.002","8.283","0.003","8.758","0.003","62.64","0.03","84.18","0.03","67.59","0.03","434.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,4,5,6,7,10,11,12-octamethyltricyclo(7.3.0.0)-2,8- diselenadodeca-3,5,9,11-tetraene","1,4,5,6,7,10,11,12-octamethyltricyclo[7.3.0.0]- 2,8-diselenadodeca-3,5,9,11-tetraene","","- C9 H12 Se -","- C9 H12 Se -","- C18 H24 Se2 -","2","1","","Ford, Susan; Hofmann, Marco; Morley, Christopher P.; Roberts, John L.; Di Vaira, Massimo","Tetramethylcyclopentadienylselenium derivatives.","Organic & biomolecular chemistry","2005","3","21","3990","3995","10.1039/b510981g","","","0.71069","MoKα","","0.076","0.0489","","","0.112","0.1201","","","","","","1.154","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150290","6.7593","0.0005","7.8597","0.0006","18.4268","0.0014","90","","90.99","0.004","90","","978.8","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O5 -","- C21 H20 N2 O5 -","- C42 H40 N4 O10 -","2","1","","Basak, Amit; Ghosh, Subhash C.; Das, Amit K.; Bertolasi, Valerio","A novel azetidinyl gamma-lactam based peptide with a preference for beta-turn conformation.","Organic & biomolecular chemistry","2005","3","22","4050","4052","10.1039/b511029g","","","0.71073","MoKα","","0.1237","0.0517","","","0.1133","0.1422","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150291","10.712","","13.782","","14.26","","90","","90","","90","","2105.24","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Mitjans, David","Kinetic and thermodynamic stereocontrol in the atroposelective formation of sulfoxides by oxidation of 2-sulfanyl-1-naphthamides.","Organic & biomolecular chemistry","2005","3","21","3898","3904","10.1039/b511452g","","","0.71069","MoKα","","0.0328","0.0314","","","0.0877","0.089","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150292","9.413","0.0019","10.281","0.002","11.618","0.002","101.32","0.03","109.63","0.03","112.28","0.03","909.9","0.6","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C48 H44 N4 O2 -","2","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Shinkevich, Ekaterina Yu; Vidovic, Denis","Selective transannular ring transformations in azirino-fused eight-membered O,N- or S,N-heterocycles.","Organic & biomolecular chemistry","2005","3","22","4040","4042","10.1039/b512409c","","","0.71073","MoKα","","0.0616","0.0446","","","0.111","0.1196","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150293","9.8194","0.0002","20.3687","0.0009","10.7783","0.0004","90","","116.445","0.002","90","","1930.18","0.12","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0758","0.0472","","0.1615","0.1114","","","","1.042","1.098","1.098","","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150294","6.4142","0.0004","13.0225","0.0013","12.6626","0.0012","90","","91.031","0.005","90","","1057.52","0.16","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O9 -","- C21 H27 N O9 -","- C42 H54 N2 O18 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0857","0.0694","","","0.1661","0.176","","","","","","1.153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150295","6.8253","0.0002","12.1456","0.0006","15.2031","0.0012","113.501","0.002","93.419","0.003","92.824","0.005","1150.02","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.5 H28 Cl N O9 -","- C21.5 H28 Cl N O9 -","- C43 H56 Cl2 N2 O18 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0932","0.0541","","","0.1142","0.131","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150296","12.0281","0.0006","17.769","0.0009","14.0771","0.0005","90","","114.804","0.003","90","","2731.1","0.2","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 O8 -","- C32 H32 O8 -","- C128 H128 O32 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.079","0.0519","","","0.1151","0.1281","","","","","","1.015","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150297","6.6987","0.0003","13.8444","0.0007","14.0583","0.0007","105.07","0.002","101.138","0.003","95.648","0.003","1219.91","0.1","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 Cl2 O9 -","- C22 H30 Cl2 O9 -","- C44 H60 Cl4 O18 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0878","0.0522","","","0.1191","0.1345","","","","","","1.04","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150298","14.6048","0.0006","7.954","0.0004","19.9249","0.0009","90","","99.051","0.003","90","","2285.79","0.18","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O9 -","- C23 H29 N O9 -","- C92 H116 N4 O36 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.1226","0.0524","","0.1746","0.108","","","","1.012","1.14","1.14","","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150299","10.4467","0.0003","11.4334","0.0004","18.614","0.0007","90","","91.264","0.002","90","","2222.74","0.13","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 O10 -","- C21 H30 O10 -","- C84 H120 O40 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0877","0.0497","","0.1639","0.1135","","","","1.049","1.116","1.116","","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150300","9.2857","0.0003","10.4352","0.0003","21.127","0.0008","90","","90","","90","","2047.17","0.12","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O7 -","- C20 H34 O7 -","- C80 H136 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0955","0.0685","","","0.1884","0.2063","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150301","19.0707","0.0007","13.0777","0.0003","27.3853","0.0011","90","","90","","90","","6829.9","0.4","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O7 -","- C16 H21 N O7 -","- C256 H336 N16 O112 -","16","2","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.1362","0.0546","","0.1867","0.1189","","","","1.013","1.139","1.139","","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150302","14.2904","0.0008","10.495","0.0006","11.2184","0.0004","90","","108.84","0.003","90","","1592.37","0.14","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N O7 -","- C14 H23 N O7 -","- C56 H92 N4 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0923","0.0498","","0.187","0.1305","","","","1.068","1.119","1.119","","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150303","7.9383","0.0002","14.4423","0.0003","15.4979","0.0004","90","","90","","90","","1776.79","0.07","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O6 -","- C17 H28 O6 -","- C68 H112 O24 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0557","0.0439","","","0.1015","0.1075","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150304","8.5902","0.0002","10.0809","0.0002","16.5589","0.0004","90","","90","","90","","1433.95","0.06","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O6 -","- C14 H22 O6 -","- C56 H88 O24 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0419","0.0357","","","0.0792","0.0828","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150305","10.4635","0.0003","9.3926","0.0002","10.5987","0.0003","90","","111.888","0.001","90","","966.55","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27.5 Br O6.25 -","- C17 H27 Br O6.25 -","- C34 H54 Br2 O12.5 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0738","0.0635","","","0.1591","0.1663","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150306","9.9656","0.0007","17.1331","0.0013","8","0.0004","90","","100.757","0.004","90","","1341.93","0.16","180","2","180","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0506","0.0367","","0.145","0.0835","","","","1.073","1.088","1.088","","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150307","8.9592","0.0007","9.2569","0.0006","15.3512","0.0011","79.472","0.001","83.129","0.001","69.351","0.001","1169.19","0.15","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O7 S -","- C24 H27 N O7 S -","- C48 H54 N2 O14 S2 -","2","1","","Mitchell, Judith M.; Finney, Nathaniel S.","Synthetic studies of pseurotin A: preparation of an advanced lactam aldehyde intermediate.","Organic & biomolecular chemistry","2005","3","23","4274","4281","10.1039/b512701g","","","0.71073","MoKα","","0.0713","0.0596","","","0.1529","0.1614","","","","","","1.057","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150308","15.3223","0.0004","12.7909","0.0003","14.0095","0.0005","90","","104.82","0.0012","90","","2654.34","0.13","150","","150","","","","","","","","?","4","C 1 c 1","C -2yc","9","","","","- C33 H29 N O2 -","- C33 H29 N O2 -","- C132 H116 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.0952","0.0509","","0.1048","0.0508","0.0508","","","","","","1.0101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150309","9.6597","0.0002","14.5094","0.0002","17.0652","0.0003","90","","95.093","0.0006","90","","2382.35","0.07","190","","190","","","","","","","","?","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 N O2 -","- C32 H27 N O2 -","- C128 H108 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.0613","0.0413","","0.0644","0.0507","0.0507","","","","","","1.0614","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150310","11.608","0.0003","17.2569","0.0005","17.9855","0.0005","90","","103.702","0.0017","90","","3500.29","0.17","150","","150","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 N O3 -","- C46 H37 N O3 -","- C184 H148 N4 O12 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.1193","0.0463","","0.1191","0.0528","0.0528","","","","","","0.9006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150311","17.7513","0.0003","5.9105","0.0001","23.5922","0.0005","90","","96.6068","0.0009","90","","2458.83","0.08","190","","190","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O2 -","- C32 H27 N O2 -","- C128 H108 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.0723","0.0395","","0.0696","0.046","0.046","","","","","","1.0569","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150312","22.3209","0.0006","5.822","0.0002","22.4854","0.0007","90","","116.634","0.0012","90","","2611.97","0.14","120","","120","","","","","","","","?","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H27 N O2 -","- C36 H27 N O2 -","- C144 H108 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.084","0.0396","","0.079","0.0415","0.0415","","","","","","1.0962","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150313","10.455","0.003","10.733","0.003","12.049","0.004","81.24","0.02","83.93","0.02","73.22","0.02","1276.7","0.7","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Br4 Cl3 N2 -","- C24 H15 Br4 Cl3 N2 -","- C48 H30 Br8 Cl6 N4 -","2","1","","Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.","Organic & biomolecular chemistry","2004","2","2","175","182","10.1039/b310638a","","","0.71073","MoKα","","","0.051","","","","0.084","","","","","","1.73","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150314","13.179","0.005","13.971","0.007","20.762","0.009","78.6","0.03","79.29","0.03","80.08","0.03","3645","3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Br12 Cl2 N6 -","- C78 H46 Br12 Cl2 N6 -","- C156 H92 Br24 Cl4 N12 -","2","1","","Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.","Organic & biomolecular chemistry","2004","2","2","175","182","10.1039/b310638a","","","0.71073","MoKα","","","0.047","","","","0.054","","","","","","1.58","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150315","13.144","0.007","13.939","0.006","20.671","0.009","79.67","0.03","81.27","0.02","80.1","0.02","3642","3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H52 Br12 N6 O0.5 -","- C81 H51 Br12 N6 O0.5 -","- C162 H102 Br24 N12 O -","2","1","","Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.","Organic & biomolecular chemistry","2004","2","2","175","182","10.1039/b310638a","","","0.71073","MoKα","","","0.049","","","","0.053","","","","","","1.51","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150316","7.792","0.001","10.213","0.002","11.809","0.003","105.66","0.02","94.91","0.03","102.04","0.02","874.9","0.3","296","2","296","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C7 H7 Cl N4 O -","- C7 H7 Cl N4 O -","- C28 H28 Cl4 N16 O4 -","4","2","","Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt","Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.","Organic & biomolecular chemistry","2004","2","2","246","256","10.1039/b311247k","","x-ray","0.71073","MoKα","","0.1401","0.0438","","","0.0944","0.1235","","","","","","0.979","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150317","11.185","0.002","8.1266","0.0004","12.711","0.003","90","","107.343","0.009","90","","1102.9","0.3","296","2","296","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H17 N3 O -","- C10 H17 N3 O -","- C40 H68 N12 O4 -","4","1","","Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt","Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.","Organic & biomolecular chemistry","2004","2","2","246","256","10.1039/b311247k","","x-ray","0.71073","MoKα","","0.0581","0.0414","","","0.1066","0.1191","","","","","","1.065","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150318","10.9884","0.0009","11.953","0.001","12.2879","0.0008","65.573","0.006","79.7","0.006","63.521","0.006","1315.3","0.2","296","2","296","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C25 H38 N6 -","- C25 H38 N6 -","- C50 H76 N12 -","2","1","","Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt","Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.","Organic & biomolecular chemistry","2004","2","2","246","256","10.1039/b311247k","","x-ray","0.71073","MoKα","","0.0987","0.0577","","","0.1555","0.1826","","","","","","1.024","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7150319","5.8851","0.0013","10.029","0.002","12.416","0.003","112.711","0.004","91.376","0.004","97.897","0.004","667.2","0.3","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H35 N O6 -","- C29 H35 N O6 -","- C29 H35 N O6 -","1","1","","Adams, Luke A.; Charmant, Jonathan P. H.; Cox, Russell J.; Walter, Magnus; Whittingham, William G.","Efficient synthesis of protected cyclopropyl beta-aspartylphosphates.","Organic & biomolecular chemistry","2004","2","4","542","553","10.1039/b311322a","","","0.71073","MoKα","","0.1821","0.0891","","","0.1994","0.2349","","","","","","0.879","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150320","12.425","0.003","18.223","0.005","11.601","0.002","90","","103.042","0.017","90","","2559","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl3 N O4 -","- C24 H26 Cl3 N O4 -","- C96 H104 Cl12 N4 O16 -","4","1","","Adams, Luke A.; Charmant, Jonathan P. H.; Cox, Russell J.; Walter, Magnus; Whittingham, William G.","Efficient synthesis of protected cyclopropyl beta-aspartylphosphates.","Organic & biomolecular chemistry","2004","2","4","542","553","10.1039/b311322a","","","0.71073","MoKα","","0.0975","0.0726","","","0.1946","0.2173","","","","","","1.046","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150321","9.947","0.001","11.658","0.002","12.796","0.001","67.062","0.009","82.79","0.01","70.76","0.01","1306.7","1.1","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","4,4'-methylenebis(N-salicylidene-2,6-diimethylaniline)","","- C31 H30 N2 O2 -","- C31 H30 N2 O2 -","- C62 H60 N4 O4 -","2","1","","Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.","Organic & biomolecular chemistry","2004","2","4","499","504","10.1039/b311669g","","x-ray","0.71069","MoKα","","0.1687","0.0647","","","0.191","0.2723","","","","","","1.013","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7150322","36.7","0.004","8.747","0.004","10.687","0.004","90","","92.62","0.02","90","","3427","2","296","2","296","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline)","","- C39 H46 N2 O2 -","- C39 H46 N2 O2 -","- C156 H184 N8 O8 -","4","0.5","","Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.","Organic & biomolecular chemistry","2004","2","4","499","504","10.1039/b311669g","","x-ray","0.71073","MoKα","","","0.054","","","","0.065","","","","","","1.002","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150323","18.991","0.004","6.01","0.004","31.619","0.004","90","","103.22","0.01","90","","3513","2","296","2","296","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline)","","- C39 H46 N2 O2 -","- C39 H46 N2 O2 -","- C156 H184 N8 O8 -","4","1","","Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.","Organic & biomolecular chemistry","2004","2","4","499","504","10.1039/b311669g","","x-ray","0.71073","MoKα","","","0.077","","","","0.105","","","","","","1.189","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150324","17.709","0.003","7.553","0.002","19.656","0.002","90","","100.926","0.008","90","","2581.5","0.9","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 O5 -","- C29 H26 N4 O5 -","- C116 H104 N16 O20 -","4","1","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kuwata, Noriko; Kunitomo, Jun-Ichi; Yamashita, Masayuki; Ohta, Shunsaku; Kohno, Shigekatsu; Ohishi, Yoshitaka","Syntheses of 3-acetoacetylaminobenzo[b]furan derivatives having cysteinyl leukotriene 2 receptor antagonistic activity.","Organic & biomolecular chemistry","2004","2","4","625","635","10.1039/b312682j","","","1.5418","CuKα","","","0.0585","","","","0.1703","","","","","","1.491","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150325","7.357","0.002","9.914","0.002","40.665","0.001","90","","94.22","0.01","90","","2958","1","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br N2 O4 -","- C15 H11 Br N2 O4 -","- C120 H88 Br8 N16 O32 -","8","2","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kuwata, Noriko; Kunitomo, Jun-Ichi; Yamashita, Masayuki; Ohta, Shunsaku; Kohno, Shigekatsu; Ohishi, Yoshitaka","Syntheses of 3-acetoacetylaminobenzo[b]furan derivatives having cysteinyl leukotriene 2 receptor antagonistic activity.","Organic & biomolecular chemistry","2004","2","4","625","635","10.1039/b312682j","","","1.5418","CuKα","","","0.0513","","","","0.146","","","","","","1.776","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150326","7.2055","0.0006","7.8564","0.0007","9.9993","0.0008","101.554","0.006","92.508","0.006","103.229","0.003","537.48","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C22 H22 N6 O4 -","2","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1164","0.0787","","","0.2195","0.2499","","","","","","1.066","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150327","7.3056","0.0004","13.9174","0.0009","12.4289","0.0008","90","","106.53","0.003","90","","1211.48","0.13","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1502","0.0874","","","0.2058","0.2397","","","","","","1.073","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150328","11.8517","0.0004","7.48","0.0002","15.7266","0.0006","90","","96.839","0.001","90","","1384.25","0.08","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N4 O2 -","- C13 H18 N4 O2 -","- C52 H72 N16 O8 -","4","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.0765","0.0606","","","0.1483","0.1589","","","","","","1.064","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150329","10.7972","0.0007","11.4319","0.0008","11.7065","0.0008","105.934","0.002","112.814","0.003","101.936","0.003","1198.09","0.15","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","2","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1476","0.1003","","","0.2571","0.2837","","","","","","1.153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150330","8.9586","0.0005","16.1012","0.0009","18.1413","0.001","90","","97.258","0.002","90","","2595.8","0.3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 N4 O2 -","- C13 H14 N4 O2 -","- C104 H112 N32 O16 -","8","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1272","0.1086","","","0.3476","0.3693","","","","","","1.575","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150331","6.9777","0.0008","8.3569","0.001","9.3808","0.0011","82.847","0.002","71.23","0.002","77.901","0.002","505.45","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 F2 O5 -","- C8 H14 F2 O5 -","- C16 H28 F4 O10 -","2","1","","Audouard, Christophe; Fawcett, John; Griffiths, Gerry A.; Percy, Jonathan M.; Pintat, Stéphane; Smith, Clive A.","Synthesis of 4,4-difluoroglycosides using ring-closing metathesis.","Organic & biomolecular chemistry","2004","2","4","528","541","10.1039/b313731g","","","0.71073","MoKα","","0.0359","0.0334","","","0.0892","0.0907","","","","","","1.111","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150332","30.941","0.01","23.839","0.007","10.252","0.004","90","","90","","90","","7562","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","complex of (R)(+)2,2'-Dihydroxy-1,1'-binaphthyl with (R)(+)N- (3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium Chloride","","","- C78 H87 Cl6 N3 O9 -","- C78 H87 Cl6 N3 O9 -","- C312 H348 Cl24 N12 O36 -","4","1","","Toda, Fumio; Yoshizawa, Kazuhiro; Hyoda, Shunji; Toyota, Shinji; Chatziefthimiou, Spyros; Mavridis, Irene M.","Efficient resolution of 2,2'-dihydroxy-1,1'-binaphthyl by inclusion complexation with chiral N-(3-chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride.","Organic & biomolecular chemistry","2004","2","4","449","451","10.1039/b314040g","","","1.5418","CuKα","","0.0702","0.0446","","","0.1043","0.1202","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150333","7.578","0.0003","9.7836","0.0004","12.0885","0.0005","90","","92.028","0.002","90","","895.68","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 O2 S -","- C9 H14 O2 S -","- C36 H56 O8 S4 -","4","1","","Grainger, Richard S.; Tisselli, Patrizia; Steed, Jonathan W.","Diastereotopic group selective intramolecular cycloadditions of sulfenic acids to 1,4-dienes.","Organic & biomolecular chemistry","2004","2","2","151","153","10.1039/b314176d","","","0.71073","MoKα","","0.056","0.0361","","","0.0779","0.0839","","","","","","1.069","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150334","7.1304","0.0003","10.9979","0.0004","13.4699","0.0006","109.079","0.002","92.054","0.001","100.681","0.002","975.68","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","pt062a","","","- C9 H15 O2.5 S -","- C9 H15 O2.5 S -","- C36 H60 O10 S4 -","4","2","","Grainger, Richard S.; Tisselli, Patrizia; Steed, Jonathan W.","Diastereotopic group selective intramolecular cycloadditions of sulfenic acids to 1,4-dienes.","Organic & biomolecular chemistry","2004","2","2","151","153","10.1039/b314176d","","","0.71073","MoKα","","0.0475","0.0347","","","0.0832","0.0892","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150335","16.3285","0.0016","11.9385","0.0011","17.5557","0.0013","90","","116.7","0.04","90","","3057.4","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 F2 N O5 -","- C14 H19 F2 N O5 -","- C112 H152 F16 N8 O40 -","8","2","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71073","MoKα","","0.1446","0.0595","","","0.125","0.1588","","","","","","0.939","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150336","6.951","0.004","8.869","0.005","13.399","0.007","98.346","0.01","96.497","0.009","91.913","0.01","811","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 F2 N O5 -","- C15 H21 F2 N O5 -","- C30 H42 F4 N2 O10 -","2","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71073","MoKα","","0.178","0.0718","","","0.1506","0.1912","","","","","","0.887","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150337","7.8012","0.0005","8.9989","0.0005","14.119","0.0009","96.881","0.003","102.152","0.003","108.9","0.003","897.6","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 F2 N O5 -","- C16 H23 F2 N O5 -","- C32 H46 F4 N2 O10 -","2","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","1.54178","CuKα","","0.0638","0.0563","","","0.1632","0.1693","","","","","","1.08","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150338","7.3657","0.0007","7.5078","0.0007","10.1384","0.0009","77.063","0.002","78.383","0.002","89.452","0.002","534.86","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 F2 O6 -","- C10 H10 F2 O6 -","- C20 H20 F4 O12 -","2","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71073","MoKα","","0.0354","0.0316","","","0.0851","0.0871","","","","","","1.046","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150339","9.7681","0.0013","11.809","0.0015","10.5162","0.0015","90","","114.677","0.009","90","","1102.3","0.3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H14 F2 O3 -","- C11 H14 F2 O3 -","- C44 H56 F8 O12 -","4","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71069","MoKα","","0.0604","0.0563","","","0.1948","0.2013","","","","","","1.083","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150340","9.8294","0.0012","8.3435","0.0013","13.9113","0.0016","90","","98.998","0.01","90","","1126.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 F2 O3 -","- C11 H16 F2 O3 -","- C44 H64 F8 O12 -","4","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71069","MoKα","","0.086","0.0646","","","0.1743","0.2216","","","","","","1.011","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150341","7.6474","0.0007","21.062","0.005","3.6345","0.0002","90","","90","","90","","585.41","0.15","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","5-pyrimidylboronic acid hemihydrate","","- C4 H6 B N2 O2.5 -","- C4 H6 B N2 O2.5 -","- C16 H24 B4 N8 O10 -","4","1","","Saygili, Nezire; Batsanov, Andrei S.; Bryce, Martin R.","5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.","Organic & biomolecular chemistry","2004","2","6","852","857","10.1039/b314624n","","","0.71073","MoKα","","0.038","0.0318","","","0.0797","0.0835","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150342","9.1245","0.0011","3.7622","0.0007","20.595","0.006","90","","95.806","0.004","90","","703.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,6-bis(2-methoxy-3-pyridyl)pyrimidine","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C32 H28 N8 O4 -","2","1","","Saygili, Nezire; Batsanov, Andrei S.; Bryce, Martin R.","5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.","Organic & biomolecular chemistry","2004","2","6","852","857","10.1039/b314624n","","","0.71073","MoKα","","0.0547","0.0403","","","0.0965","0.104","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150343","9.6878","0.0016","5.3021","0.0006","15.229","0.003","90","","107.292","0.005","90","","746.9","0.2","173","2","173","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C6 H12 F N O2 -","- C6 H11 F N O2 -","- C24 H44 F4 N4 O8 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","x-ray","0.71073","MoKα","","0.0804","0.0669","","","0.1735","0.1826","","","","","","1.102","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150344","9.005","0.002","16.541","0.005","16.841","0.004","90","","90","","90","","2508.5","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C92 H144 N8 O20 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","","0.71073","MoKα","","0.1789","0.0672","","","0.1267","0.1668","","","","","","0.982","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150345","9.637","0.004","5.314","0.003","14.574","0.007","90","","93.1","0.03","90","","745.3","0.6","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C6 H12 F N O2 -","- C6 H8.76 F N O2 -","- C24 H35.04 F4 N4 O8 -","4","2","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","x-ray","0.71073","MoKα","","0.2149","0.1075","","","0.2256","0.2851","","","","","","1.035","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150346","7.356","0.002","19.87","0.005","15.136","0.004","90","","91.37","0.01","90","","2211.7","1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-tert-Butylphenyl)-5-[4-(3,3-diethoxy-propyn-1-yl)- phenyl]-1,3,4-oxadiazole","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0677","0.043","","","0.0958","0.1052","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150347","14.835","0.005","6.161","0.001","25.549","0.003","90","","91.14","0.01","90","","2334.7","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-tert-Butylphenyl)-5-[4-(5,5-diethoxy-1,3-pentadiyn-1-yl)- phenyl]-1,3,4-oxadiazole","","- C27 H28 N2 O3 -","- C27 H28 N2 O3 -","- C108 H112 N8 O12 -","4","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0838","0.0561","","","0.1371","0.152","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150348","11.945","0.002","6.183","0.001","23.46","0.005","90","","97.94","0.01","90","","1716","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{3-[5-(4-tert-Butylphenyl)-1,3,4-oxadiazol-2-yl]-phenyl}- propynal","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0737","0.0525","","","0.1459","0.1606","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150349","10.878","0.001","11","0.001","12.705","0.001","114.866","0.01","105.881","0.01","97.048","0.01","1276.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(3-{4-[5-(4-tert-Butylphenyl)-1,3,4-oxadiazol-2-yl]-phenyl}- prop-2-ynylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester","","- C28 H24 N2 O5 S2 -","- C28 H24 N2 O5 S2 -","- C56 H48 N4 O10 S4 -","2","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0406","0.0351","","","0.0904","0.0952","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150350","13.365","0.004","11.036","0.004","19.88","0.003","90","","94.05","0.02","90","","2924.9","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","","- C59 H71 N5 O6 Si3 -","- C59 H66 N5 O6 Si3 -","- C118 H132 N10 O12 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","0.7093","","","0.0995","0.0525","","","0.1492","0.1792","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150351","20.698","0.002","28.908","0.003","11.465","0.0018","90","","90","","90","","6859.9","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","","- C66 H83 N5 O9 Si3 -","- C66 H67 N5 O9 Si3 -","- C264 H268 N20 O36 Si12 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54178","CuKα","","0.0891","0.0807","","","0.1978","0.2047","","","","","","1.157","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150352","9.808","0.0005","10.901","0.0004","21.496","0.0008","90","","95.211","0.002","90","","2288.79","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(triisopropylsilyl)-guanosine","2',3',5'-O-tris(triisopropylsilyl)-guanosine","","- C37 H73 N5 O5 Si3 -","- C37 H73 N5 O5 Si3 -","- C74 H146 N10 O10 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.1122","0.1089","","","0.372","0.3936","","","","","","1.981","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150353","31.591","0.0006","10.875","0.0002","17.005","0.0002","90","","101.092","0.001","90","","5732.97","0.17","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","2'-deoxy-3',5'-O-bis(tert-butyldimethylsilyl)-guanosine","2'-deoxy-3',5'-O-bis(tert-butyldimethylsilyl)-guanosine","","- C22 H41 N5 O4 Si2 -","- C22 H41 N5 O4 Si2 -","- C176 H328 N40 O32 Si16 -","8","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0776","0.0768","","","0.2123","0.2138","","","","","","1.034","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150354","17.326","0.0004","11.369","0.0003","17.395","0.0004","90","","116.838","0.002","90","","3057.38","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","2',3'-O-bis(tert-butyldimethylsilyl)-guanosine","2',3'-O-bis(tert-butyldimethylsilyl)-guanosine","","- C24 H45 N5 O7 Si2 -","- C24 H45 N5 O7 Si2 -","- C96 H180 N20 O28 Si8 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0534","0.0533","","","0.1414","0.1415","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150355","10.168","0.0008","8.024","0.0006","22.947","0.0019","90","","90","0.004","90","","1872.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(tert-butyldimethylsilyl)-adenosine","2',3',5'-O-tris(tert-butyldimethylsilyl)-adenosine","","- C28 H55 N5 O4 Si3 -","- C28 H55 N5 O4 Si3 -","- C56 H110 N10 O8 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0858","0.0809","","","0.1898","0.1964","","","","","","1.086","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150356","16.428","0.004","7.794","0.006","23.465","0.005","90","","104.988","0.016","90","","2902","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3'-O-bis(tert-butyldimethylsilyl)-adenosine","2',3'-O-bis(tert-butyldimethylsilyl)-adenosine","","- C22 H41 N5 O4 Si2 -","- C22 H41 N5 O4 Si2 -","- C88 H164 N20 O16 Si8 -","4","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","0.7107","MoKα","","0.1288","0.0454","","","0.1035","0.1288","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150357","7.5","0.0001","8.329","0.0001","43.319","0.0004","90","","90","","90","","2706.03","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3',5'-O-bis(tert-butyldimethylsiyl)-2'-deoxy-adenosine","3',5'-O-bis(tert-butyldimethylsiyl)-2'-deoxy-adenosine","","- C22 H41 N5 O3 Si2 -","- C22 H41 N5 O3 Si2 -","- C88 H164 N20 O12 Si8 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.5418","CuKα","","0.0422","0.0416","","","0.1226","0.1256","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150358","7.955","0.0002","12.398","0.0004","18.035","0.0004","98.98","0.002","99.526","0.002","101.012","0.002","1689.22","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","2',3'-O-bis(triisopropylsilyl)-guanosine","2',3'-O-bis(triisopropylsilyl)-guanosine","","- C28 H53 N5 O5 Si2 -","- C28 H53 N5 O5 Si2 -","- C56 H106 N10 O10 Si4 -","2","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0883","0.0857","","","0.2408","0.2496","","","","","","1.056","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150359","8.124","0.004","16.606","0.01","7.179","0.003","90","","113.24","0.02","90","","889.9","0.8","150","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,5-diazido-4-methyl(1,5-b)tetrazolopridazine","3,5-diazido-4-methyl[1,5-b]tetrazolopridazine","","- C5 H3 N11 -","- C5 H3 N11 -","- C20 H12 N44 -","4","1","","Allan, Robin D.; Greenwood, Jeremy R.; Hambley, Trevor W.; Hanrahan, Jane R.; Hibbs, David E.; Itani, Samia; Tran, Hue W.; Turner, Peter","Studies on pyridazine azide cyclisation reactions.","Organic & biomolecular chemistry","2004","2","12","1782","1788","10.1039/b316190k","","","0.56356","synchrotron","","0.2443","0.2088","","","0.5283","0.5585","","","","","","2.339","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150360","5.7327","0.0008","7.6069","0.0006","10.45","0.002","96.967","0.013","104.847","0.014","109.68","0.008","403.83","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C5 H5 N9 -","- C5 H5 N9 -","- C10 H10 N18 -","2","1","","Allan, Robin D.; Greenwood, Jeremy R.; Hambley, Trevor W.; Hanrahan, Jane R.; Hibbs, David E.; Itani, Samia; Tran, Hue W.; Turner, Peter","Studies on pyridazine azide cyclisation reactions.","Organic & biomolecular chemistry","2004","2","12","1782","1788","10.1039/b316190k","","","1.54178","CuKα","","0.0773","0.0536","","","0.1246","0.1315","","","","","","1.284","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150361","19.275","0.004","8.415","0.003","23.953","0.005","90","","111.9","0.01","90","","3604.8","1.7","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","C36 H34 B2 F8 N6 O1 Pt1","","","- C36 H34 B2 F8 N6 O Pt -","- C36 H34 B2 F8 N6 O Pt -","- C144 H136 B8 F32 N24 O4 Pt4 -","4","1","","Sielemann, Dirk; Winter, Andreas; Flörke, Ulrich; Risch, Nikolaus","Selective synthesis of U-shaped terpyridines. Versatile ligands for the preparation of platinum complexes.","Organic & biomolecular chemistry","2004","2","6","863","868","10.1039/b316633c","","","0.71073","MoKα","","0.0902","0.0537","","","0.1207","0.1367","","","","","","1.025","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150362","6.8956","0.0002","8.0263","0.0002","25.0635","0.0007","90","","90","","90","","1387.17","0.07","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 F O3 -","- C15 H17 F O3 -","- C60 H68 F4 O12 -","4","1","","Buffet, Marianne F.; Dixon, Darren J.; Ley, Steven V.; Reynolds, Dominic J.; Storer, R. Ian","Anomeric oxygen to carbon rearrangements of alkynyl tributylstannane derivatives of furanyl (gamma)- and pyranyl (delta)-lactols.","Organic & biomolecular chemistry","2004","2","8","1145","1154","10.1039/b316858a","","","0.71073","MoKα","","0.0892","0.0625","","","0.1631","0.1868","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150363","9.642","0.007","10.277","0.007","10.081","0.007","90","","91.89","0.03","90","","998.4","1.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","5,6-Bis(trifluoromethyl)-2-methoxy-1H-1,3-diazepine","5,6-Bis(trifluoromethyl)-2-methoxy-1H-1,3-diazepine","","- C8 H6 F6 N2 O -","- C8 H6 F6 N2 O -","- C32 H24 F24 N8 O4 -","4","1","","Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt","1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.","Organic & biomolecular chemistry","2004","2","8","1227","1238","10.1039/b317099c","","x-ray","0.71073","MoKα","","0.0653","0.0494","","","0.149","0.1637","","","","","","1.1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150364","13.243","0.003","5.6585","0.0005","13.304","0.003","90","","116.61","0.01","90","","891.3","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","6,7-Bis(trifluoromethyl)-2,4-diazabicyclo(3.2.0)heptan-3-one","6,7-Bis(trifluoromethyl)-2,4-diazabicyclo[3.2.0]heptan-3-one","","- C7 H6 F6 N2 O -","- C7 H6 F6 N2 O -","- C28 H24 F24 N8 O4 -","4","1","","Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt","1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.","Organic & biomolecular chemistry","2004","2","8","1227","1238","10.1039/b317099c","","x-ray","0.71073","MoKα","","0.0909","0.0423","","","0.101","0.1223","","","","","","1.013","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150365","7.607","0.002","8.04","0.002","8.369","0.001","96.79","0.02","98.36","0.03","104.7","0.02","483.4","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","4-Diethylamino-1,5-dihydro-(1,3)diazepin-2-one","4-Diethylamino-1,5-dihydro-[1,3]diazepin-2-one","","- C9 H15 N3 O -","- C9 H15 N3 O -","- C18 H30 N6 O2 -","2","1","","Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt","1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.","Organic & biomolecular chemistry","2004","2","8","1227","1238","10.1039/b317099c","","x-ray","0.71073","MoKα","","0.0727","0.0434","","","0.1088","0.1244","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150366","5.8002","0.0001","14.4736","0.0003","15.751","0.0003","90","","91.141","0.001","90","","1322.03","0.04","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol","9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol","","- C38 H26 O2 -","- C38 H26 O2 -","- C76 H52 O4 -","2","0.5","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.0541","0.043","","","0.1123","0.1198","","","","","","1.008","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150367","10.2961","0.0001","14.9893","0.0002","17.8825","0.0003","108.255","0.001","91.524","0.001","109.284","0.001","2447.71","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 4(N,N- dimethylacetamide) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 4(N,N-dimethylacetamide) clathrate","","- C54 H62 N4 O6 -","- C54 H26 N4 O6 -","- C108 H52 N8 O12 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.1611","0.0894","","","0.2508","0.299","","","","","","1.071","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150368","7.9629","0.0003","9.0266","0.0004","13.5092","0.0007","77.015","0.002","83.033","0.002","84.212","0.002","936.47","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 2(N,N- dimethylacetamide) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 2(N,N-dimethylacetamide) clathrate","","- C46 H44 N2 O4 -","- C46 H44 N2 O4 -","- C46 H44 N2 O4 -","1","0.5","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.1197","0.0695","","","0.1722","0.2029","","","","","","1.046","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150369","13.1096","0.0003","12.8883","0.0002","12.0038","0.0002","90","","92.247","0.001","90","","2026.61","0.07","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 3(1,4-dioxane) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 3(1,4-dioxane) clathrate","","- C50 H50 O8 -","- C50 H50 O8 -","- C100 H100 O16 -","2","0.5","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.0729","0.0468","","","0.1071","0.1191","","","","","","1.024","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150370","7.7993","0.0001","21.9845","0.0004","21.0296","0.0004","90","","94.552","0.001","90","","3594.44","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9,9'-(Biphenyl-4,4'-diyl)bis(flouren-9-ol). 2(methyl ethyl ketone) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(flouren-9-ol). 2(methyl ethyl ketone) clathrate","","- C46 H42 O4 -","- C46 H42 O4 -","- C184 H168 O16 -","4","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.0582","0.044","","","0.1027","0.1106","","","","","","1.022","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150371","7.319","0.001","21.573","0.001","8.799","0.001","90","","108.02","0.01","90","","1321.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C44 H76 N4 O24 -","4","1","","Griesbeck, Axel G.; Bondock, Samir; Lex, Johann","Stereoselective generation of vicinal stereogenic quaternary centers by photocycloaddition of 5-methoxy oxazoles to alpha-keto esters: synthesis of erythro beta-hydroxy dimethyl aspartates.","Organic & biomolecular chemistry","2004","2","8","1113","1115","10.1039/b401990c","","","0.71073","MoKα","","0.1965","0.0562","","","0.1017","0.139","","","","","","0.956","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150372","25.75","0.01","11.464","0.002","20.37","0.007","90","","125.61","0.02","90","","4889","3","296","2","296","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Br N O5 -","- C23.992 H31.972 Br N O5 -","- C191.936 H255.776 Br8 N8 O40 -","8","1","","Williams, Craig M.; Heim, Ralf; Brecknell, Douglas J.; Bernhardt, Paul V.","Unprecedented photochemical induced cascading rearrangement of the 3-azabicyclo[3.3.1]nonane skeleton.","Organic & biomolecular chemistry","2004","2","6","806","807","10.1039/b402200a","","x-ray","0.71073","MoKα","","0.1682","0.0529","","","0.1241","0.1662","","","","","","0.998","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150373","7.2889","0.0008","12.26","0.001","16.917","0.004","99.24","0.01","97.78","0.02","90.4","0.01","1477.7","0.4","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C32 H39 N O8 -","- C32 H39 N O8 -","- C64 H78 N2 O16 -","2","1","","Williams, Craig M.; Heim, Ralf; Brecknell, Douglas J.; Bernhardt, Paul V.","Unprecedented photochemical induced cascading rearrangement of the 3-azabicyclo[3.3.1]nonane skeleton.","Organic & biomolecular chemistry","2004","2","6","806","807","10.1039/b402200a","","x-ray","0.71073","MoKα","","0.2611","0.0776","","","0.1871","0.2736","","","","","","0.961","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150374","8.827","0.002","21.647","0.004","11.075","0.002","90","","100.493","0.003","90","","2080.8","0.7","293","1","293","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 S2 -","- C27 H20 S2 -","- C108 H80 S8 -","4","1","","van Delden, Richard A.; ter Wiel, Matthijs K. J.; de Jong, Harmen; Meetsma, Auke; Feringa, Ben L.","Exploring the boundaries of a light-driven molecular motor design: new sterically overcrowded alkenes with preferred direction of rotation.","Organic & biomolecular chemistry","2004","2","10","1531","1541","10.1039/b402222j","","","0.71073","MoKα","","0.0834","0.0498","","","0.1179","0.1342","","","","","","1.022","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150375","15.582","0.0009","9.9509","0.0006","7.9189","0.0005","90","","97.128","0.003","90","","1218.37","0.13","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C52 H68 N12 O4 -","4","1","","Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian","Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.","Organic & biomolecular chemistry","2004","2","8","1258","1265","10.1039/b402307b","","","0.71073","MoKα","","0.033","0.0309","","","0.0718","0.0735","","","","","","1.098","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150376","5.8416","0.0001","6.9482","0.0002","31.7123","0.0012","86.981","0.001","89.733","0.001","68.635","0.001","1196.89","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C52 H68 N12 O4 -","4","2","","Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian","Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.","Organic & biomolecular chemistry","2004","2","8","1258","1265","10.1039/b402307b","","","0.71073","MoKα","","0.0836","0.0603","","","0.1211","0.1306","","","","","","1.145","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150377","12.61","0.003","12.464","0.003","16.763","0.003","90","","107.01","0.03","90","","2519.4","1","240","","240","","","","","","","","?","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C104 H136 N24 O8 -","8","2","","Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian","Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.","Organic & biomolecular chemistry","2004","2","8","1258","1265","10.1039/b402307b","","","0.71073","MoKα","","0.1194","0.0477","","0.0581","0.0443","0.0443","","","","","","1.1747","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150378","7.575","0.005","13.478","0.006","10.641","0.006","90","","109.04","0.05","90","","1027","1","295","","295","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C16 H33 N O5 Si -","- C16 H33 N O5 Si -","- C32 H66 N2 O10 Si2 -","2","1","","Li, Hongqing; Blériot, Yves; Chantereau, Caroline; Mallet, Jean-Maurice; Sollogoub, Matthieu; Zhang, Yongmin; Rodríguez-García, Eliazar; Vogel, Pierre; Jiménez-Barbero, Jesús; Sinaÿ, Pierre","The first synthesis of substituted azepanes mimicking monosaccharides: a new class of potent glycosidase inhibitors.","Organic & biomolecular chemistry","2004","2","10","1492","1499","10.1039/b402542c","","","0.71073","MoKα","","0.0799","0.0577","","0.0929","0.068","0.068","","","","","","1.0005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150379","11.431","0.01","14.985","0.015","10.19","0.03","92.1","0.2","104.7","0.17","70.09","0.09","1585","5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38.6 N2 O10.3 -","- C32 H38 N2 O10.3 -","- C64 H76 N4 O20.6 -","2","1","","Pasini, Dario; Righetti, Pier Paolo; Zema, Michele","C2 symmetrical double chromophores: cooperativity effects in lanthanide ion complexation.","Organic & biomolecular chemistry","2004","2","12","1764","1769","10.1039/b403494e","","","0.71073","MoKα","","0.1944","0.0854","","","0.1767","0.2221","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150380","8.186","0.005","18.852","0.016","6.057","0.015","96.7","0.2","106.03","0.11","80.81","0.08","884","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O12 -","- C36 H46 N2 O12 -","- C36 H46 N2 O12 -","1","0.5","","Pasini, Dario; Righetti, Pier Paolo; Zema, Michele","C2 symmetrical double chromophores: cooperativity effects in lanthanide ion complexation.","Organic & biomolecular chemistry","2004","2","12","1764","1769","10.1039/b403494e","","","0.71073","MoKα","","0.3122","0.1514","","","0.3324","0.4208","","","","","","1.048","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150381","6.9162","0.0012","21.895","0.004","20.761","0.003","90","","91.611","0.004","90","","3142.6","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 I2 Se6 -","- C8 H4 I2 Se6 -","- C64 H32 I16 Se48 -","8","2","","Shirahata, Takashi; Imakubo, Tatsuro","Synthesis of novel selenium-containing donors as selenium analogues of diiodo(ethylenedithio)diselenadithiafulvalene (DIETS).","Organic & biomolecular chemistry","2004","2","12","1685","1687","10.1039/b406092j","","","0.71073","MoKα","","0.0706","0.0537","","","0.1321","0.1422","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150382","6.4271","0.0003","7.7669","0.0004","14.1095","0.0008","95.29","0.002","94.206","0.002","111.866","0.002","646.44","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 F3 N O2 -","- C14 H14 F3 N O2 -","- C28 H28 F6 N2 O4 -","2","1","","Hoffmann-Röder, Anja; Seiler, Paul; Diederich, François","Nucleophilic trifluoromethylation of cyclic imides using (trifluoromethyl)trimethylsilane CF3SiMe3.","Organic & biomolecular chemistry","2004","2","16","2267","2269","10.1039/b407555b","","","0.7107","MoKα","","0.0723","0.0467","","","0.127","0.1507","","","","","","0.931","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150383","5.473","0.0002","11.0206","0.0004","12.9676","0.0005","90","","100.877","0.002","90","","768.1","0.05","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H16 O8 S -","- C14 H16 O8 S -","- C28 H32 O16 S2 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Palomero, Maria A.; Polara, Alessandra; Rodriguez, Felix; Sheppard, Tom D.","Studies on the generation of enolate anions from butane-2,3-diacetal protected glycolic acid derivatives and subsequent highly diastereoselective coupling reactions with aldehydes and acid chlorides.","Organic & biomolecular chemistry","2004","2","24","3618","3627","10.1039/b412790k","","","0.71069","MoKα","","0.0475","0.0385","","","0.0883","0.0935","","","","","","1.125","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150384","11.234","0.0002","16.394","0.0002","20.993","0.0003","90","","90","","90","","3866.28","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 N5 O6 S -","- C38 H53 N5 O6 S -","- C152 H212 N20 O24 S4 -","4","1","","Nyangulu, James M.; Nelson, Ken M.; Rose, Patricia A.; Gai, Yuanzhu; Loewen, Mary; Lougheed, Brenda; Quail, J. Wilson; Cutler, Adrian J.; Abrams, Suzanne R.","Synthesis and biological activity of tetralone abscisic acid analogues.","Organic & biomolecular chemistry","2006","4","7","1400","1412","10.1039/b509193d","","","0.71073","MoKα","","0.0541","0.042","","","0.0932","0.0992","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150385","14.7325","0.0004","15.2366","0.0002","19.0213","0.0003","90","","90","","90","","4269.77","0.15","293","","293.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C93 H82 Cl4 Cu2 N4 O8 -","- C93 H82 Cl4 Cu2 N4 O8 -","- C186 H164 Cl8 Cu4 N8 O16 -","2","0.5","","Lyle, Michael P. A.; Draper, Neil D.; Wilson, Peter D.","Synthesis and evaluation of new chiral nonracemic C2-symmetric and unsymmetric 2,2'-bipyridyl ligands.","Organic & biomolecular chemistry","2006","4","5","877","885","10.1039/b513286j","","","1.5418","Copper","","0.0658","0.0532","","0.1033","0.075","0.075","","","","","","0.6013","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150386","13.47","0.05","10.86","0.04","21.4","0.1","90","","90","","90","","3130","2","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C152 H144 O32 -","8","1","","Cousin, David; Mann, John; Nieuwenhuyzen, Mark; van den Berg, Hendrik","A new approach to combretastatin D2.","Organic & biomolecular chemistry","2006","4","1","54","62","10.1039/b513515j","","","0.71073","MoKα","","0.3103","0.1041","","","0.2006","0.2935","","","","","","0.843","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150387","16.6913","0.0012","13.6741","0.0007","15.0144","0.0009","90","","91.6","0.008","90","","3425.5","0.4","200","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 F6 N3 O2 P -","- C36 H42 F6 N3 O2 P -","- C144 H168 F24 N12 O8 P4 -","4","1","","Mobian, Pierre; Banerji, Natalie; Bernardinelli, Gérald; Lacour, Jérôme","Towards the stereoselective synthesis of inherently chiral pseudorotaxanes.","Organic & biomolecular chemistry","2006","4","2","224","231","10.1039/b513562a","","","0.71073","MoKα","","","0.042","","","","0.037","","","","","","1.03","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150388","12.902","0.003","12.479","0.003","15.918","0.004","90","","100.206","0.004","90","","2522.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N9 O2 -","- C27 H25 N9 O2 -","- C108 H100 N36 O8 -","4","1","","Zhao, Jun-Feng; Xie, Chang; Xu, Sheng-Zhen; Ding, Ming-Wu; Xiao, Wen-Jing","Iminophosphorane-mediated efficient synthesis of new tricyclic 3,5-dihydro-1,2,3-triazolo[4,5-d]-1,2,4-triazolo[1,5-a]pyrimidin-9-ones.","Organic & biomolecular chemistry","2006","4","1","130","134","10.1039/b513715b","","","0.71073","MoKα","","0.1382","0.0738","","","0.1508","0.1785","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150389","12.895","0.003","9.91","0.002","13.175","0.003","90","","90.54","0.03","90","","1683.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl2 N O3 -","- C19 H13 Cl2 N O3 -","- C76 H52 Cl8 N4 O12 -","4","1","","Zhang, Min; An, Hui-Ying; Zhao, Bao-Guo; Xu, Jian-Hua","Aromatic annulation strategy for naphthalenes fused at 1,2- and 3,4-positions with two heterocycles.","Organic & biomolecular chemistry","2006","4","1","33","35","10.1039/b514496e","","","0.71073","MoKα","","0.0926","0.0536","","","0.1931","0.2266","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150390","9.526","0.0019","18.319","0.004","7.942","0.0016","90","","96.25","0.03","90","","1377.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 N O3 -","- C19 H11 N O3 -","- C76 H44 N4 O12 -","4","1","","Zhang, Min; An, Hui-Ying; Zhao, Bao-Guo; Xu, Jian-Hua","Aromatic annulation strategy for naphthalenes fused at 1,2- and 3,4-positions with two heterocycles.","Organic & biomolecular chemistry","2006","4","1","33","35","10.1039/b514496e","","","0.71073","MoKα","","0.1278","0.0551","","","0.1188","0.1572","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150391","10.5068","0.0003","12.0843","0.0003","21.5489","0.0007","90","","102.703","0.001","90","","2669.04","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 B2 F8 N6 O12 -","- C48 H58 B2 F8 N6 O12 -","- C96 H116 B4 F16 N12 O24 -","2","0.5","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1768","0.0824","","","0.21","0.2529","","","","","","0.939","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150392","12.2482","0.0007","37.03","0.002","13.0751","0.0007","90","","111.498","0.002","90","","5517.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 B2 F8 N6 O12 -","- C56 H62 B2 F8 N6 O12 -","- C224 H248 B8 F32 N24 O48 -","4","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1529","0.1121","","","0.2105","0.2335","","","","","","1.157","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150393","11.67","0.0009","13.1966","0.001","17.1182","0.0013","91.475","0.002","96.658","0.002","91.858","0.002","2616","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H60 B2 F8 N4 O12 -","- C50 H60 B2 F8 N4 O12 -","- C100 H120 B4 F16 N8 O24 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.0938","0.0713","","","0.1957","0.2168","","","","","","1.039","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150394","12.3959","0.0008","19.1294","0.0012","12.9148","0.0008","90","","112.855","0.001","90","","2822","0.3","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C58 H64 B2 F8 N4 O12 -","- C58 H64 B2 F8 N4 O12 -","- C116 H128 B4 F16 N8 O24 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1284","0.095","","","0.2081","0.2236","","","","","","1.117","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150395","13.2421","0.0004","15.7037","0.0005","12.1739","0.0004","90","","94.909","0.001","90","","2522.28","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H60 B2 F8 N4 O12 -","- C46 H60 B2 F8 N4 O12 -","- C92 H120 B4 F16 N8 O24 -","2","0.5","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1625","0.094","","","0.2672","0.3025","","","","","","1.045","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150396","9.3357","0.0001","22.4319","0.0003","25.0932","0.0002","90","","90","","90","","5254.95","0.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H60 B2 F8 N4 O16 -","- C44 H60 B2 F8 N4 O16 -","- C176 H240 B8 F32 N16 O64 -","4","0.5","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1786","0.1437","","","0.2894","0.3084","","","","","","1.293","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150397","10.4924","0.0006","16.5364","0.001","10.7738","0.0006","90","","96.584","0.001","90","","1857","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H50 B2 F8 N2 O10 -","- C30 H50 B2 F8 N2 O10 -","- C60 H100 B4 F16 N4 O20 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.0891","0.0807","","","0.2265","0.2357","","","","","","1.083","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150398","17.433","0.005","20.012","0.005","19.631","0.005","90","","93.572","0.004","90","","6835","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 B2 F8 N2 O8 -","- C28 H46 B2 F8 N2 O8 -","- C224 H368 B16 F64 N16 O64 -","8","2","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1374","0.0684","","","0.1509","0.1851","","","","","","1.024","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150399","13.598","0.002","16.807","0.003","17.859","0.003","87.625","0.003","87.329","0.003","70.059","0.002","3831.2","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H82 B4 F16 N8 O9 -","- C76 H82 B4 F16 N8 O9 -","- C152 H164 B8 F32 N16 O18 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1889","0.1039","","","0.2836","0.3487","","","","","","1.039","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150400","7.332","0.0014","8.9703","0.0018","14.588","0.003","73.464","0.004","84.582","0.003","77.268","0.003","896.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C42 H54 N2 O4 -","2","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Johnson, Paul; Lai, Lai Wah; Pink, Jennifer H.; Stimson, Christopher C.; Vassiliou, Neoclis; Westlund, Neil; Yasin, Samreen A.; Youssef, Latifa H.","Conformational preference in aromatic amides bearing chiral ortho substituents: its origin and application to relayed stereocontrol.","Organic & biomolecular chemistry","2006","4","3","424","443","10.1039/b514557k","","","0.71073","MoKα","","0.0658","0.0405","","","0.0814","0.0875","","","","","","0.892","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150401","10.547","0.008","12.605","0.005","12.023","0.004","90","","96.44","0.04","90","","1588.3","1.5","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 N3 O3 -","- C31 H45 N3 O3 -","- C62 H90 N6 O6 -","2","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Johnson, Paul; Lai, Lai Wah; Pink, Jennifer H.; Stimson, Christopher C.; Vassiliou, Neoclis; Westlund, Neil; Yasin, Samreen A.; Youssef, Latifa H.","Conformational preference in aromatic amides bearing chiral ortho substituents: its origin and application to relayed stereocontrol.","Organic & biomolecular chemistry","2006","4","3","424","443","10.1039/b514557k","","","1.5418","CuKα","","0.0981","0.05","","","0.1283","0.1645","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150402","14.361","0.003","7.2093","0.0013","31.922","0.005","90","","92.459","0.014","90","","3301.9","1","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H45 N3 O3 -","- C35 H45 N3 O3 -","- C140 H180 N12 O12 -","4","1","","Clayden, Jonathan; Foricher, Yann J. Y.; Helliwell, Madeleine; Johnson, Paul; Mitjans, David; Vinader, Victoria","Conformational arm-wrestling: battles for stereochemical control in benzamides bearing matched and mismatched chiral 2- and 6-substituents.","Organic & biomolecular chemistry","2006","4","3","444","454","10.1039/b514558a","","","1.5418","CuKα","","0.0858","0.0486","","","0.1245","0.1425","","","","","","1.028","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150403","7.626","0.004","20.455","0.004","19.1","0.006","90","","93.27","0.04","90","","2974.6","1.9","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 N3 O2 -","- C33 H45 N3 O2 -","- C132 H180 N12 O8 -","4","1","","Clayden, Jonathan; Westlund, Neil; Frampton, Christopher S.; Helliwell, Madeleine","Diastereoselective synthesis of atropisomers containing two non-biaryl stereogenic axes: stereochemical relay through stereogenic centres in dihydrostilbene-2,2'-dicarboxamides.","Organic & biomolecular chemistry","2006","4","3","455","461","10.1039/b514561a","","","1.5418","CuKα","","0.0733","0.0396","","0.0374","0.0339","","","","1.773","1.986","1.986","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7150404","15.179","0.003","7.728","0.002","28.337","0.006","90","","90","","90","","3324","1.3","123","1","123","1","","","","","","","","4","P n a 21","P 2c -2n","33","RWX0315/Wilson/NW-G020/5107/25-9-98.","","","- C38 H51 N3 O2 -","- C37.5 H47 N2.5 O2 -","- C150 H188 N10 O8 -","4","1","","Clayden, Jonathan; Westlund, Neil; Frampton, Christopher S.; Helliwell, Madeleine","Diastereoselective synthesis of atropisomers containing two non-biaryl stereogenic axes: stereochemical relay through stereogenic centres in dihydrostilbene-2,2'-dicarboxamides.","Organic & biomolecular chemistry","2006","4","3","455","461","10.1039/b514561a","","","0.71073","MoKα","","0.0524","0.0442","","","0.1178","0.1249","","","","","","1.033","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150405","18.4408","0.0021","5.2153","0.0006","24.8543","0.0028","90","","98.765","0.002","90","","2362.4","0.5","20","","20","","","","","","","","Sigma Aldrich","4","C 1 2 1","C 2y","5","L-Alanyl-L-alanyl-L-alanine","L-Alanyl-L-alanyl-L-alanine","","- C9 H18 N3 O4.5 -","- C9 H18 N3 O4.25 -","- C72 H144 N24 O34 -","8","2","","Rödel, E; Messerschmidt, M.; Dittrich, B.; Luger, P.","Atomic and bond topological properties of the tripeptide L-alanyl-L-alanyl-L-alanine based on its experimental charge density obtained at 20 K.","Organic & biomolecular chemistry","2006","4","3","475","481","10.1039/b514717d","","x-ray","0.71073","MoKa","","0.0247","0.0183","","","","0.0153","","","","","","0.665","","","","has coordinates","192340","2020-10-21","18:00:00",""
"7150406","4.8305","0.0008","13.532","0.002","26.21","0.004","90","","90","","90","","1713.3","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 Se -","- C18 H19 N O3 Se -","- C72 H76 N4 O12 Se4 -","4","1","","Fenner, Tahli; White, Jonathan M.; Schiesser, Carl H.","Preparation of 2,3-dihydroselenolo[2,3-b]pyridines and related compounds by free-radical means.","Organic & biomolecular chemistry","2006","4","3","466","474","10.1039/b515385a","","","0.71073","MoKα","","0.0643","0.0408","","","0.0745","0.0791","","","","","","0.81","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150407","22.4722","0.0003","7.8727","0.0001","19.961","0.0002","90","","112.178","0.001","90","","3270.17","0.07","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 N O3 S -","- C16 H23 N O3 S -","- C128 H184 N8 O24 S8 -","8","1","","Cariou, Claire A. M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations.","Organic & biomolecular chemistry","2006","4","1","51","53","10.1039/b515547a","","","1.54178","CuKα","","0.0423","0.0392","","","0.1123","0.115","","","","","","1.09","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150408","8.4757","0.0001","19.208","0.0003","11.8021","0.0002","90","","97.964","0.001","90","","1902.87","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N O3 S -","- C18 H27 N O3 S -","- C72 H108 N4 O12 S4 -","4","2","","Cariou, Claire A. M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations.","Organic & biomolecular chemistry","2006","4","1","51","53","10.1039/b515547a","","","1.54178","CuKα","","0.0413","0.0374","","","0.0998","0.1035","","","","","","1.031","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150409","11.9328","0.0002","11.9328","0.0002","20.0477","0.0005","90","","90","","120","","2472.18","0.09","120","2","120","2","","","","","","","","5","P 63","P 6c","173","","","","- C47 H42 F18 N7 P3 -","- C46.99 H39 F18 N6.99 P3 -","- C93.98 H78 F36 N13.98 P6 -","2","0.333333","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.0479","0.0396","","","0.0949","0.0993","","","","","","1.068","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150410","11.1149","0.0015","30.678","0.003","15.2165","0.0019","90","","90.413","0.005","90","","5188.4","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 F18 N6 O4 P3 -","- C45 H45 F18 N6 O3 P3 -","- C180 H180 F72 N24 O12 P12 -","4","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.2538","0.1203","","","0.279","0.355","","","","","","1.015","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150411","9.8279","0.0002","30.0349","0.001","20.0581","0.0006","90","","99.28","0.002","90","","5843.3","0.3","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H64 F12 N6 O7 P2 -","- C60 H64 F12 N6 O7 P2 -","- C240 H256 F48 N24 O28 P8 -","4","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.0681","0.0515","","","0.1123","0.121","","","","","","1.006","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150412","10.8286","0.0008","18.3316","0.0012","24.2103","0.0014","90","","100.766","0.003","90","","4721.3","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trisester","","","- C41 H50 Br3 Cl6 N3 O6 -","- C41 H50 Br3 Cl6 N3 O6 -","- C164 H200 Br12 Cl24 N12 O24 -","4","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.1347","0.0785","","","0.1575","0.1764","","","","","","1.036","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150413","10.6106","0.0004","12.4052","0.0005","20.5253","0.0005","82.503","0.002","78.979","0.002","72.937","0.002","2527.14","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H60 Br3 N6 O4.5 -","- C48 H60 Br3 N6 O4.5 -","- C96 H120 Br6 N12 O9 -","2","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.1047","0.074","","","0.1788","0.1982","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150414","16.07","0.02","8.501","0.008","17","0.03","90","","104.48","0.11","90","","2249","5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 N3 O3 -","- C23 H31 N3 O3 -","- C92 H124 N12 O12 -","4","1","","Matsuhira, Takashi; Yamamoto, Hitoshi; Onoda, Akira; Okamura, Taka-Aki; Ueyama, Norikazu","Photoinduced switching of intramolecular hydrogen bond between amide NH and carboxyl oxygen.","Organic & biomolecular chemistry","2006","4","7","1338","1342","10.1039/b516049a","","","0.71075","MoKα","","0.1971","0.059","","","0.0875","0.1029","","","","","","0.858","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150415","5.104","0.0015","9.469","0.003","13.78","0.004","80.141","0.005","86.042","0.005","89.932","0.005","654.5","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-betaAla-NHMe","","","- C10 H20 N2 O3 -","- C10 H20 N2 O3 -","- C20 H40 N4 O6 -","2","2","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0544","0.0494","","","0.1359","0.1403","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150416","8.73","0.002","9.741","0.003","17.509","0.005","90","","90","","90","","1488.9","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-NHMe","","","- C12 H24 N2 O3 -","- C12 H24 N2 O3 -","- C48 H96 N8 O12 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0511","0.0483","","","0.1326","0.1355","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150417","20.536","0.012","5.165","0.003","16.872","0.01","90","","109.824","0.009","90","","1683.5","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Boc-betaPhe-NHMe","","","- C16 H24 N2 O3 -","- C16 H24 N2 O3 -","- C64 H96 N8 O12 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.121","0.0909","","","0.1912","0.2061","","","","","","1.184","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150418","9.3852","0.0017","11.899","0.002","19.199","0.004","90","","90","","90","","2144","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-betaVal-OMe","","","- C18 H34 N2 O5 -","- C18 H34 N2 O5 -","- C72 H136 N8 O20 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0605","0.0585","","","0.1559","0.1574","","","","","","1.307","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150419","5.17","0.004","10.86","0.008","37.3","0.03","90","","90","","90","","2094","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-betaDVal-OMe","","","- C18 H34 N2 O5 -","- C18 H34 N2 O5 -","- C72 H136 N8 O20 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.1091","0.0787","","","0.1588","0.1809","","","","","","1.273","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150420","5.989","0.002","6.651","0.002","8.661","0.003","70.749","0.005","77.415","0.005","86.976","0.005","317.81","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-betaPro-OH","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C11 H19 N O4 -","1","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0589","0.0566","","","0.1641","0.1666","","","","","","1.122","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150421","7.942","0.0017","13.862","0.003","8.4623","0.0019","90","","90","","90","","931.6","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C40 H48 N16 O4 -","4","1","","Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.","The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.","Organic & biomolecular chemistry","2006","4","9","1723","1729","10.1039/b516447h","","","0.71073","MoKα","","0.0522","0.045","","","0.1141","0.1186","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150422","7.8532","0.0012","12.4259","0.0019","11.0895","0.0017","90","","108.807","0.002","90","","1024.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 S -","- C10 H12 N4 S -","- C40 H48 N16 S4 -","4","1","","Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.","The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.","Organic & biomolecular chemistry","2006","4","9","1723","1729","10.1039/b516447h","","","0.71073","MoKα","","0.0605","0.045","","","0.122","0.1328","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150423","8.6545","0.0012","15.734","0.002","7.7979","0.0011","90","","96.473","0.002","90","","1055.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-amino-3,4-dihydro-1h-5-thia-1,6,8-triazaacenaphtylene","","- C9 H12 N4 O S -","- C9 H12 N4 O S -","- C36 H48 N16 O4 S4 -","4","1","","Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.","The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.","Organic & biomolecular chemistry","2006","4","9","1723","1729","10.1039/b516447h","","","0.71073","MoKα","","0.0437","0.0349","","","0.0904","0.0948","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150424","7.4112","0.0004","15.3453","0.0008","19.811","0.001","90","","90","0.001","90","","2253","0.2","193.2","","193.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O Si -","- C22 H28 N4 O Si -","- C88 H112 N16 O4 Si4 -","4","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","0.7107","MoKα","","0.0508","0.039","","0.039","","0.037","","","1.353","","","1.43","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150425","17.488","0.001","17.514","0.001","7.601","0.002","90","","90","","90","","2328.1","0.6","299.2","","299.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O Si -","- C22 H28 N4 O Si -","- C88 H112 N16 O4 Si4 -","4","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","1.5418","CuKα","","0.0464","0.039","","0.043","","0.042","","","2.546","","","2.63","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150426","8.087","0.001","11.369","0.001","14.0678","0.0009","90","","104.498","0.007","90","","1252.2","0.2","299.2","","299.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N3 O3 Si -","- C24 H33 N3 O3 Si -","- C48 H66 N6 O6 Si2 -","2","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","1.5418","CuKα","","0.0374","0.036","","0.038","","0.038","","","3.701","","","3.77","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150427","14.365","0.003","8.446","0.002","12.304","0.002","90","","97.88","0.03","90","","1478.7","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","","Neumann, Helfried; Strübing, Dirk; Lalk, Michael; Klaus, Stefan; Hübner, Sandra; Spannenberg, Anke; Lindequist, Ulrike; Beller, Matthias","Synthesis and antimicrobial activity of N-analogous corollosporines.","Organic & biomolecular chemistry","2006","4","7","1365","1375","10.1039/b517101f","","","0.71073","MoKα","","0.0787","0.0654","","","0.1849","0.193","","","","","","1.085","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150428","8.917","0.002","8.949","0.002","10.953","0.002","96.61","0.03","97.73","0.03","99.99","0.03","844.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C34 H48 N4 O6 -","2","1","","Neumann, Helfried; Strübing, Dirk; Lalk, Michael; Klaus, Stefan; Hübner, Sandra; Spannenberg, Anke; Lindequist, Ulrike; Beller, Matthias","Synthesis and antimicrobial activity of N-analogous corollosporines.","Organic & biomolecular chemistry","2006","4","7","1365","1375","10.1039/b517101f","","","0.71073","MoKα","","0.0968","0.0522","","","0.1307","0.1441","","","","","","0.86","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150429","12.358","0.001","14.623","0.001","19.349","0.002","90","","106.678","0.001","90","","3349.5","0.5","170","1","170","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","1,2-bis(2'-methyl-5'-((((R)-1-phenylethyl)amino)carbonyl)- thien-3'-yl)-perfluorocyclopentene","1,2-bis(2'-methyl-5'-{[((R)-1-phenylethyl)amino]carbonyl}-thien-3'-yl)- perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Uchida, Kingo; Walko, Martin; de Jong, Jaap J. D.; Sukata, Shin-ichiro; Kobatake, Seiya; Meetsma, Auke; van Esch, Jan; Feringa, Ben L.","Diastereoselective cyclization of a dithienylethene switch through single crystal confinement.","Organic & biomolecular chemistry","2006","4","6","1002","1006","10.1039/b517370a","","","0.71073","MoKα","","0.0948","0.0667","","","0.1546","0.17","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150430","7.1187","0.0002","12.4355","0.0002","10.625","0.0003","90","","105.545","0.0008","90","","906.17","0.04","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Donohoe, Timothy J.; Johnson, Dale J.; Mace, Laura H.; Thomas, Rhian E.; Chiu, Jessica Y. K.; Rodrigues, Jason S.; Compton, Richard G.; Banks, Craig E.; Tomcik, Peter; Bamford, Mark J.; Ichihara, Osamu","The ammonia-free partial reduction of substituted pyridinium salts.","Organic & biomolecular chemistry","2006","4","6","1071","1084","10.1039/b517462g","","","0.71073","MoKα","","0.0502","0.0372","","0.0539","0.0459","0.0459","","","","","","1.0774","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150431","8.0683","0.0002","10.3413","0.0002","20.1216","0.0004","90","","100.613","0.0009","90","","1650.16","0.06","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Donohoe, Timothy J.; Johnson, Dale J.; Mace, Laura H.; Thomas, Rhian E.; Chiu, Jessica Y. K.; Rodrigues, Jason S.; Compton, Richard G.; Banks, Craig E.; Tomcik, Peter; Bamford, Mark J.; Ichihara, Osamu","The ammonia-free partial reduction of substituted pyridinium salts.","Organic & biomolecular chemistry","2006","4","6","1071","1084","10.1039/b517462g","","","0.71073","MoKα","","0.056","0.0397","","0.0521","0.0463","0.0463","","","","","","1.0912","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150432","12.174","0.001","21.549","0.001","7.6755","0.0003","90","","90","","90","","2013.6","0.2","183.2","","183.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 F N2 O3 -","- C23 H25 F N2 O3 -","- C92 H100 F4 N8 O12 -","4","1","","Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D.","Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I.","Organic & biomolecular chemistry","2006","4","9","1768","1784","10.1039/b517572k","","","0.7107","MoKalpha","","","0.0407","","","0.0404","","","","","1.478","1.478","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150433","7.884","0.001","5.6159","0.0004","17.964","0.001","90","","90.753","0.004","90","","795.3","0.12","183.2","","183.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C38 H36 N4 O6 -","2","1","","Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D.","Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I.","Organic & biomolecular chemistry","2006","4","9","1768","1784","10.1039/b517572k","","","0.7107","MoKalpha","","","0.0404","","","0.0418","","","","","1.508","1.508","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150434","6.0153","0.0005","12.4888","0.0009","15.2629","0.001","90","","90","","90","","1146.61","0.15","250","","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","","Li, Hongqing; Schütz, Catherine; Favre, Sylvain; Zhang, Yongmin; Vogel, Pierre; Sinaÿ, Pierre; Blériot, Yves","Nucleophilic opening of epoxyazepanes: expanding the family of polyhydroxyazepane-based glycosidase inhibitors.","Organic & biomolecular chemistry","2006","4","9","1653","1662","10.1039/b518117h","","","0.71073","MoKα","","0.104","0.0593","","0.0738","0.053","0.053","","","","","","1.1381","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150435","28.764","0.003","12.3834","0.0013","11.8736","0.0013","90","","104.728","0.002","90","","4090.4","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C39 H68 N O13.5 -","- C39 H68 N O13.5 -","- C156 H272 N4 O54 -","4","1","","Hassanzadeh, Addolreza; Helliwell, Madeleine; Barber, Jill","Determination of the stereochemistry of anhydroerythromycin A, the principal degradation product of the antibiotic erythromycin A.","Organic & biomolecular chemistry","2006","4","6","1014","1019","10.1039/b518182h","","","0.71073","MoKα","","0.0343","0.0314","","","0.0722","0.0731","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150436","9.807","0.0008","11.749","0.0012","16.027","0.002","90","","90","","90","","1846.7","0.3","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N -","- C22 H29 N -","- C88 H116 N4 -","4","1","","Petersen, Michael Axman; Nielsen, Iben B.; Kristensen, Michael B.; Kadziola, Anders; Lammich, Lutz; Andersen, Lars H.; Nielsen, Mogens Brøndsted","Novel retinylidene iminium salts for defining opsin shifts: synthesis and intrinsic chromophoric properties.","Organic & biomolecular chemistry","2006","4","8","1546","1554","10.1039/b600121a","","","0.71073","MoKα","","0.055","0.0428","","","0.0998","0.1093","","","","","","1.117","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150437","9.884","0.0016","11.711","0.0011","16.091","0.002","90","","90","","90","","1862.6","0.4","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N -","- C22 H29 N -","- C88 H116 N4 -","4","1","","Petersen, Michael Axman; Nielsen, Iben B.; Kristensen, Michael B.; Kadziola, Anders; Lammich, Lutz; Andersen, Lars H.; Nielsen, Mogens Brøndsted","Novel retinylidene iminium salts for defining opsin shifts: synthesis and intrinsic chromophoric properties.","Organic & biomolecular chemistry","2006","4","8","1546","1554","10.1039/b600121a","","","0.71073","MoKα","","0.0553","0.0431","","","0.1036","0.1127","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150438","7.6412","0.0004","11.8424","0.0009","15.8245","0.0007","90","","102.434","0.003","90","","1398.37","0.14","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C28 H39 N O6 Si -","- C28 H39 N O6 Si -","- C56 H78 N2 O12 Si2 -","2","1","","Ahmed, Omar; Hitchcock, Peter B.; Young, Douglas W.","Investigation of a route to ibotenic acid analogues via a reduced pyroglutamate template.","Organic & biomolecular chemistry","2006","4","8","1596","1603","10.1039/b600195e","","x-ray","0.71073","MoKα","","0.0509","0.0417","","","0.0889","0.0945","","","","","","1.032","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150439","5.6733","0.0002","11.538","0.0009","21.3149","0.0016","90","","90","","90","","1395.24","0.16","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","","Ahmed, Omar; Hitchcock, Peter B.; Young, Douglas W.","Investigation of a route to ibotenic acid analogues via a reduced pyroglutamate template.","Organic & biomolecular chemistry","2006","4","8","1596","1603","10.1039/b600195e","","x-ray","0.71073","MoKα","","0.0584","0.0446","","","0.1003","0.1067","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150440","3.82","0.0006","9.5681","0.0016","14.756","0.002","90","","93.579","0.004","90","","538.28","0.14","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","9-methoxy-2-methyl-1-azaxanthone","9-methoxy-2-methyl-1-azaxanthone","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C28 H22 N2 O6 -","2","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.0487","0.0276","","0.0411","0.0297","0.0297","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150441","12.191","0.002","3.8876","0.0008","22.922","0.004","90","","90.223","0.006","90","","1086.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-methoxy-2-methyl-1-azaxanthone","7-methoxy-2-methyl-1-azaxanthone","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.1239","0.062","","","0.1416","0.1608","","","","","","0.85","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150442","4.584","0.0003","11.1889","0.0007","24.2034","0.0015","90","","90.953","0.003","90","","1241.22","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Ethylamino-2-methyl-1-azaxanthone","6-Ethylamino-2-methyl-1-azaxanthone","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.1531","0.056","","","0.1174","0.1502","","","","","","0.867","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150443","3.8693","0.0005","12.3848","0.0016","10.4698","0.0013","90","","95.015","0.002","90","","499.8","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-Methyl-1-azathioxanthone","2-Methyl-1-azathioxanthone","","- C13 H9 N O S -","- C13 H9 N O S -","- C26 H18 N2 O2 S2 -","2","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.0746","0.0634","","","0.151","0.1587","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150444","11.2537","0.0002","13.9426","0.0002","28.9064","0.0005","83.0511","0.0006","88.3274","0.0005","82.8675","0.0009","4466.96","0.13","172","","","","","","","","","","Diederich Group","6","P 1","P 1","1","","","","- C24 H38 N2 O3 S Si2 -","- C24 H38 N2 O3 S Si2 -","- C144 H228 N12 O18 S6 Si12 -","6","6","","Convertino, Vito; Manini, Peter; Schweizer, W. Bernd; Diederich, François","First asymmetric synthesis of a differentially silyl-protected tris(alkynyl)methyl methyl ether.","Organic & biomolecular chemistry","2006","4","7","1206","1208","10.1039/b601380e","","","0.71073","MoKα","","0.0827","0.0724","","","0.1961","0.2102","","","","","","1.625","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150445","15.45","0.01","10.49","0.007","10.828","0.007","90","","90","","90","","1755","2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","jrc0831n","","","- C18 H15 Cl F2 O3 S -","- C18 H15 Cl F2 O3 S -","- C72 H60 Cl4 F8 O12 S4 -","4","1","","Scott, Jeremy P.; Mullens, Peter R.; Brewer, Sarah E.; Brands, Karel M. J.; Chilenski, Jennifer R.; Davies, Antony J.; Gibb, Andrew D.; Lieberman, David R.; Oliver, Steven F.; Dolling, Ulf-H","The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol.","Organic & biomolecular chemistry","2006","4","9","1806","1810","10.1039/b601647b","","","0.71073","MoKα","","0.0622","0.0515","","","0.1173","0.1225","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150446","6.9274","0.0005","8.4158","0.0006","29.301","0.002","90","","92.743","0.001","90","","1706.3","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jrc2573n","","","- C18 H17 Cl F2 O3 S -","- C18 H17 Cl F2 O3 S -","- C72 H68 Cl4 F8 O12 S4 -","4","1","","Scott, Jeremy P.; Mullens, Peter R.; Brewer, Sarah E.; Brands, Karel M. J.; Chilenski, Jennifer R.; Davies, Antony J.; Gibb, Andrew D.; Lieberman, David R.; Oliver, Steven F.; Dolling, Ulf-H","The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol.","Organic & biomolecular chemistry","2006","4","9","1806","1810","10.1039/b601647b","","","0.71073","MoKα","","0.0472","0.0401","","","0.1009","0.1054","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150447","17.511","0.005","14.597","0.003","22.804","0.005","90","","111.552","0.003","90","","5421","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 O4 S2 -","- C60.004 H72 O4 S2 -","- C240.016 H288 O16 S8 -","4","1","","Zeng, Xianshun; Sun, Hao; Chen, Langxing; Leng, Xuebing; Xu, Fengbo; Li, Qinshan; He, Xiwen; Zhang, Wenqin; Zhang, Zheng-Zhi","Synthesis of a tweezer-like bis(arylthiaalkoxy)calix[4]arene as a cation sensor for ion-selective electrodes: an investigation of the influence of neighboring halogen atoms on cation selectivity","Organic & Biomolecular Chemistry","2003","1","6","1073","1079","10.1039/b211381c","","","0.71073","MoKα","","0.1864","0.0842","","","0.2423","0.3205","","","","","","1.013","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150448","8.134","0.001","7.111","0.0008","12.699","0.002","90","","100.87","0.01","90","","721.34","0.17","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","octafluoro-1,2-dimethylenecyclobutane","","- C6 F8 -","- C6 F8 -","- C24 F32 -","4","1","","Lentz, Dieter; Patzschke, Mona; Bach, Ansgar; Scheins, Stephan; Luger, Peter","Experimental charge density of octafluoro-1,2-dimethylenecyclobutane: atomic volumes and charges in a perfluorinated hydrocarbon","Organic & Biomolecular Chemistry","2003","1","2","409","414","10.1039/b208704a","","","0.7107","MoKα","","","0.031","","","","0.041","","","","","","2.52","","","","has coordinates","274637","2022-04-22","16:02:08",""
"7150449","11.1034","0.0011","11.9818","0.0014","9.9624","0.0012","90","","109.214","0.008","90","","1251.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H32 N2 O4 S -","- C27 H32 N2 O4 S -","- C54 H64 N4 O8 S2 -","2","1","","Miyabe, Hideto; Fujii, Kayoko; Naito, Takeaki","Radical addition to oxime ethers for asymmetric synthesis of β-amino acid derivatives","Organic & Biomolecular Chemistry","2003","1","2","381","","10.1039/b208823a","","","0.71069","MoKα","","0.0377","0.0297","","","0.0971","0.1054","","","","","","0.902","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150450","12.2395","0.0015","20.5642","0.0014","10.904","0.0016","90","","94.209","0.011","90","","2737.1","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O4 S -","- C29 H38 N2 O4 S -","- C116 H152 N8 O16 S4 -","4","2","","Miyabe, Hideto; Fujii, Kayoko; Naito, Takeaki","Radical addition to oxime ethers for asymmetric synthesis of β-amino acid derivatives","Organic & Biomolecular Chemistry","2003","1","2","381","","10.1039/b208823a","","","1.54178","CuKα","","0.0507","0.0416","","","0.1229","0.1305","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150451","7.688","0.0002","13.2934","0.0003","31.112","0.0009","90","","90","","90","","3179.64","0.14","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 N8 O7 -","- C32 H28 N8 O7 -","- C128 H112 N32 O28 -","4","1","","Rosenbohm, Christoph; Christensen, Signe M.; Sørensen, Mads D.; Pedersen, Daniel Sejer; Larsen, Lotte-Emilie; Wengel, Jesper; Koch, Troels","Synthesis of 2'-amino-LNA: a new strategyElectronic supplementary information (ESI) available: further experimental details and the structure of compound S11 (.pdb file). See http://www.rsc.org/suppdata/ob/b2/b208864a/","Organic & Biomolecular Chemistry","2003","1","4","655","","10.1039/b208864a","","","0.71073","MoKα","","0.056","0.0427","","","0.0892","0.0964","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150452","12.677","0.0002","12.7397","0.0002","13.0974","0.0002","102.147","0.001","95.218","0.001","91.166","0.001","2057.62","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Compound X","","","- C18 H34 O5 Si -","- C18 H34 O5 Si -","- C72 H136 O20 Si4 -","4","2","","Johnston, Derek; Couché, Emmanuel; Edmonds, David J.; Muir, Kenneth W.; Procter, David J.","The first synthetic studies on pestalotiopsin A. A stereocontrolled approach to the functionalised bicyclic coreElectronic supplementary information (ESI) available: crystal structure analysis of 18a. See http://www.rsc.org/suppdata/ob/b2/b209066j/","Organic & Biomolecular Chemistry","2003","1","2","328","","10.1039/b209066j","","","0.71073","MoKα","","0.0492","0.0374","","","0.0871","0.0939","","","","","","1.04","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150453","12.368","0.003","17.711","0.004","21.575","0.004","90","","92.382","0.004","90","","4721.9","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S)-2-((1R,8aR)-8a-methyl-1,2,3,4,6,7,8,8a-octahydro-1-naphthyl)propyl N-((1S)-1-(1-naphthyl)ethyl)carbamate","","- C27 H35 N O2 -","- C27 H35 N O2 -","- C216 H280 N8 O16 -","8","4","","Chen, Yong-Jun; Gao, Ling-Jie; Murad, Ibrahim; Verstuyf, Annemieke; Verlinden, Lieve; Verboven, Christel; Bouillon, Roger; Viterbo, Davide; Milanesio, Marco; Van Haver, Dirk; Vandewalle, Maurits; De Clercq, Pierre J.","Synthesis, biological activity, and conformational analysis of CD-ring modified trans-decalin 1α,25-dihydroxyvitamin D analogsElectronic supplementary information (ESI) available: Further experimental details. See http://www.rsc.org/suppdata/ob/b2/b209147j/","Organic & Biomolecular Chemistry","2003","1","2","257","","10.1039/b209147j","","","0.71073","MoKα","","0.0865","0.042","","","0.0867","0.112","","","","","","0.933","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150454","6.1182","0.0003","6.6921","0.0004","10.181","0.0005","90","","94.019","0.003","90","","415.82","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Compound X","","","- C9 H14 O2 -","- C9 H14 O2 -","- C18 H28 O4 -","2","1","","Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar","Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols","Org. Biomol. Chem.","2003","1","4","700","704","10.1039/b209427d","","","0.71073","MoKα","","0.0541","0.0425","","","0.0878","0.0929","","","","","","1.042","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150455","5.9714","0.0001","20.5466","0.0005","22.5632","0.0006","90","","90","","90","","2768.32","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Compound X","","","- C10 H16 O -","- C10 H16 O -","- C120 H192 O12 -","12","3","","Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar","Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols","Org. Biomol. Chem.","2003","1","4","700","704","10.1039/b209427d","","","0.71073","MoKα","","0.0671","0.0508","","","0.0996","0.1081","","","","","","1.087","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150456","10.7633","0.0001","10.7633","0.0001","31.3398","0.0005","90","","90","","90","","3630.67","0.08","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","Compound X","","","- C10 H16 O -","- C10 H16 O -","- C160 H256 O16 -","16","2","","Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar","Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols","Org. Biomol. Chem.","2003","1","4","700","704","10.1039/b209427d","","","0.71073","MoKα","","0.0606","0.0482","","","0.1244","0.132","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150457","14.587","0.0002","7","0.0001","27.868","0.0004","90","","105.047","0.0011","90","","2748.01","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 B20 N6 O4 -","- C48 H48 B20 N6 O4 -","- C96 H96 B40 N12 O8 -","2","0.5","","Frixa, Christophe; Mahon, Mary F.; Thompson, Andrew S.; Threadgill, Michael D.","Synthesis of meso-substituted porphyrins carrying carboranes and oligo(ethylene glycol) units for potential applications in boron neutron capture therapyElectronic supplementary information (ESI) available: experimental details for the synthesis of compounds 12‒15, 31 and 32. See http://www.rsc.org/suppdata/ob/b2/b209534c/","Organic & Biomolecular Chemistry","2003","1","2","306","","10.1039/b209534c","","","0.71073","MoKα","","0.1002","0.0757","","","0.2287","0.249","","","","","","1.019","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150458","9.8532","0.0007","6.9944","0.0005","14.504","0.001","90","","105.737","0.003","90","","962.11","0.12","233","2","233","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H23 B F4 O -","- C22 H23 B F4 O -","- C44 H46 B2 F8 O2 -","2","0.5","","Laus, Gerhard; Schottenberger, Herwig; Wurst, Klaus; Schütz, Johannes; Ongania, Karl-Hans; Horvath, Ulrike Erika Ida; Schwärzler, Alexander","Solvatochromism, halochromism, and preferential solvation of new dipolar guaiazulenyl 1,4-benzoquinone methidesElectronic supplementary information (ESI) available: Absorption maxima of the dyes 6‒10 in seven binary solvent mixtures. See http://www.rsc.org/suppdata/ob/b2/b209555f/","Organic & Biomolecular Chemistry","2003","1","8","1409","","10.1039/b209555f","","","0.71073","MoKα","","0.0595","0.0423","","","0.0995","0.107","","","","","","1.048","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150459","14.324","0.0009","12.5501","0.0007","14.623","0.001","90","","100","0.003","90","","2588.8","0.3","228","2","228","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 O -","- C30 H38 O -","- C120 H152 O4 -","4","1","","Laus, Gerhard; Schottenberger, Herwig; Wurst, Klaus; Schütz, Johannes; Ongania, Karl-Hans; Horvath, Ulrike Erika Ida; Schwärzler, Alexander","Solvatochromism, halochromism, and preferential solvation of new dipolar guaiazulenyl 1,4-benzoquinone methidesElectronic supplementary information (ESI) available: Absorption maxima of the dyes 6‒10 in seven binary solvent mixtures. See http://www.rsc.org/suppdata/ob/b2/b209555f/","Organic & Biomolecular Chemistry","2003","1","8","1409","","10.1039/b209555f","","","0.71073","MoKα","","0.0665","0.0505","","","0.1306","0.141","","","","","","1.028","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7150460","11.1081","0.0003","12.6796","0.0004","11.6659","0.0004","90","","101.259","0.0013","90","","1611.48","0.09","200","","","","","","","","","","Local laboratory","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Banwell, Martin G.; Edwards, Alison J.; Jolliffe, Katrina A.; Smith, Jason A.; Hamel, Ernest; Verdier-Pinard, Pascal","Total synthesis of (±)-rhazinal, an alkaloidal spindle toxin from Kopsia teoi","Organic & Biomolecular Chemistry","2003","1","2","296","","10.1039/b209992f","","","0.71073","MoKα","","","0.0973","","","","0.0854","","","","","","0.8346","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150461","9.3201","0.0004","12.5782","0.0004","17.9679","0.0004","90","","90","","90","","2106.38","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O7 -","- C22 H23 N O7 -","- C88 H92 N4 O28 -","4","1","","Anat Reizelman; Suzanne C. M. Wigchert; Cinzia del-Bianco; Binne Zwanenburg","Synthesis and bioactivity of labelled germination stimulants for the isolation and identification of the strigolactone receptor","Org. Biomol. Chem.","2003","1","6","950","959","10.1039/b210678g","","","1.54184","CuKα","","0.0484","0.0397","","0.1169","0.1094","0.1169","","","1.048","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150462","32.285","0.002","11.8982","0.0006","19.8475","0.0011","90","","90","","90","","7624.1","0.7","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H21 N5 O6 -","- C30 H21 N5 O6 -","- C360 H252 N60 O72 -","12","1.5","","Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Nitrophenyl derivatives of pyrrole 2,5-diamides: structural behaviour, anion binding and colour change signalled deprotonationElectronic supplementary information (ESI) available: 1H NMR, 13C NMR and mass spectra for compounds 2 and 3, NMR anion titration profiles in DMSO-d6‒0.5% water. See http://www.rsc.org/suppdata/ob/b2/b210848h/","Organic & Biomolecular Chemistry","2003","1","4","741","","10.1039/b210848h","","","0.71073","MoKα","","0.3726","0.0941","","","0.1043","0.1634","","","","","","0.958","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150463","11.0659","0.0002","12.04","0.0002","15.9608","0.0004","84.462","0.001","81.333","0.001","64.306","0.001","1893.21","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N5 O9 S3 -","- C36 H36 N5 O9 S3 -","- C72 H72 N10 O18 S6 -","2","1","","Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Nitrophenyl derivatives of pyrrole 2,5-diamides: structural behaviour, anion binding and colour change signalled deprotonationElectronic supplementary information (ESI) available: 1H NMR, 13C NMR and mass spectra for compounds 2 and 3, NMR anion titration profiles in DMSO-d6‒0.5% water. See http://www.rsc.org/suppdata/ob/b2/b210848h/","Organic & Biomolecular Chemistry","2003","1","4","741","","10.1039/b210848h","","","0.71073","MoKα","","0.0675","0.0452","","","0.1118","0.1222","","","","","","1.022","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150464","8.608","0.005","15.212","0.005","15.257","0.005","67.786","0.005","84.475","0.005","73.886","0.005","1776.8","1.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H31 N7 O12 S2 -","- C34 H31 N7 O12 S2 -","- C68 H62 N14 O24 S4 -","2","1","","Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Nitrophenyl derivatives of pyrrole 2,5-diamides: structural behaviour, anion binding and colour change signalled deprotonationElectronic supplementary information (ESI) available: 1H NMR, 13C NMR and mass spectra for compounds 2 and 3, NMR anion titration profiles in DMSO-d6‒0.5% water. See http://www.rsc.org/suppdata/ob/b2/b210848h/","Organic & Biomolecular Chemistry","2003","1","4","741","","10.1039/b210848h","","","0.71069","MoKα","","0.1424","0.0559","","","0.0998","0.1242","","","","","","0.909","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150465","20.3034","0.0011","10.1636","0.0005","13.457","0.0006","90","","104.057","0.002","90","","2693.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 N7 O10 -","- C30 H19 N7 O10 -","- C120 H76 N28 O40 -","4","1","","Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Nitrophenyl derivatives of pyrrole 2,5-diamides: structural behaviour, anion binding and colour change signalled deprotonationElectronic supplementary information (ESI) available: 1H NMR, 13C NMR and mass spectra for compounds 2 and 3, NMR anion titration profiles in DMSO-d6‒0.5% water. See http://www.rsc.org/suppdata/ob/b2/b210848h/","Organic & Biomolecular Chemistry","2003","1","4","741","","10.1039/b210848h","","","0.71073","MoKα","","0.1256","0.055","","","0.1074","0.1308","","","","","","0.928","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150466","13.408","0.005","15.847","0.005","17.023","0.005","73.042","0.005","74.733","0.005","68.046","0.005","3159.9","1.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H90 Cl N9 O10 -","- C62 H90 Cl N9 O10 -","- C124 H180 Cl2 N18 O20 -","2","1","","Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Nitrophenyl derivatives of pyrrole 2,5-diamides: structural behaviour, anion binding and colour change signalled deprotonationElectronic supplementary information (ESI) available: 1H NMR, 13C NMR and mass spectra for compounds 2 and 3, NMR anion titration profiles in DMSO-d6‒0.5% water. See http://www.rsc.org/suppdata/ob/b2/b210848h/","Organic & Biomolecular Chemistry","2003","1","4","741","","10.1039/b210848h","","","0.71069","MoKα","","0.4834","0.133","","","0.1941","0.2967","","","","","","0.83","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150467","10.516","0.004","18.569","0.006","8.832","0.004","90","","100.21","0.04","90","","1697.3","1.2","122","0.5","122","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1","4,6-bis(phenylseleno)-3-methoxyphenol","","- C19 H16 O2 Se2 -","- C19 H16 O2 Se2 -","- C76 H64 O8 Se8 -","4","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","Cu-Ka","","0.0325","0.0307","","","0.0787","0.0804","","","","","","1.076","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150468","7.2242","0.0015","7.9556","0.0011","11.007","0.002","83.594","0.014","73.236","0.016","86","0.014","601.47","0.19","122","0.5","122","0.5","","","","","","","","4","P -1","-P 1","2","2","2,3-dimethyl-4-(phenylseleno)phenol","","- C14 H14 O Se -","- C14 H14 O Se -","- C28 H28 O2 Se2 -","2","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.025","0.0247","","","0.0677","0.0678","","","","","","1.134","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150469","15.0339","0.0015","5.642","0.0007","18.9279","0.0013","90","","101.673","0.007","90","","1572.3","0.3","122","0.5","122","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3","4,6-bis(phenylseleno)benzene-1,3-diol","","- C18 H14 O2 Se2 -","- C18 H14 O2 Se2 -","- C72 H56 O8 Se8 -","4","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.0302","0.0301","","","0.0837","0.0838","","","","","","1.224","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150470","8.5958","0.0017","11.37","0.003","12.388","0.003","116.25","0.02","100.28","0.017","104.48","0.02","991.4","0.5","122","0.5","122","0.5","","","","","","","","4","P -1","-P 1","2","4","1,2-diethoxy-4,5-bis(phenylseleno)benzene","","- C22 H22 O2 Se2 -","- C22 H22 O2 Se2 -","- C44 H44 O4 Se4 -","2","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.0355","0.0349","","","0.0863","0.0867","","","","","","1.094","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150471","7.1618","0.001","15.132","0.0019","8.2912","0.001","90","","103.609","0.011","90","","873.3","0.2","122","0.5","122","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5","1,4-dimethoxy-2,5-bis(phenylseleno)benzene","","- C20 H18 O2 Se2 -","- C20 H18 O2 Se2 -","- C40 H36 O4 Se4 -","2","0.5","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.0352","0.0346","","","0.0958","0.0965","","","","","","1.104","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150472","7.2789","0.0007","9.4958","0.0008","19.043","0.003","90","","97.047","0.011","90","","1306.3","0.3","122","0.5","122","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6","1-methoxy-3,5-dimethyl-4-(phenylseleno)benzene","","- C15 H16 O Se -","- C15 H16 O Se -","- C60 H64 O4 Se4 -","4","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.0262","0.0257","","","0.0692","0.0697","","","","","","1.065","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150473","8.7061","0.0011","10.3054","0.0008","11.8008","0.0013","92.369","0.008","90.07","0.01","94.027","0.009","1055.2","0.2","122","0.5","122","0.5","","","","","","","","4","P -1","-P 1","2","7","4-(phenylseleno)benzene-1,3-diol","","- C12 H10 O2 Se -","- C12 H10 O2 Se -","- C48 H40 O8 Se4 -","4","2","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.0292","0.0292","","","0.0782","0.0783","","","","","","1.115","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150474","14.991","0.002","9.9673","0.0018","15.93","0.002","90","","90","","90","","2380.3","0.6","122","0.5","122","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","8","1-methoxy-4-methyl-2-(phenylseleno)benzene","","- C14 H14 O Se -","- C14 H14 O Se -","- C112 H112 O8 Se8 -","8","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.0266","0.0262","","","0.0724","0.0727","","","","","","1.153","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150475","9.0416","0.0012","7.8911","0.001","17.6103","0.0018","90","","102.406","0.01","90","","1227.1","0.3","122","0.5","122","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9","2,5-dimethyl-4-(phenylseleno)phenol","","- C14 H14 O Se -","- C14 H14 O Se -","- C56 H56 O4 Se4 -","4","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","0.71073","MoKα","","0.0268","0.0265","","","0.0758","0.076","","","","","","1.1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150476","7.917","0.002","19.736","0.005","21.32","0.005","90","","90","","90","","3331.2","1.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Crystal 7 ((R)-1/4)","(R)-alpha-[[(1,1-dimethylethyl)amino]methyl]-3,5-dihydroxybenzenemethanol (2S,3S)-di-O-toluoyl tartrate hydrate","","- C32 H39 N O12 -","- C32 H39 N O12 -","- C128 H156 N4 O48 -","4","1","","Liao, Jian; Peng, Xiaohua; Zhang, Juhua; Yu, Kaibei; Cui, Xin; Zhu, Jin; Deng, Jingen","Facile resolution of racemic terbutaline and a study of molecular recognition through chiral supramolecules based on enantiodifferentiating self-assemblyElectronic supplementary information (ESI) available: 1) 1H and 13C NMR analyses of (R)-1·4 and (S)-1·4; 2) ORTEP views and stacking structures of crystals 5, 7 and 8; 3) DSC and TG analyses of the more- and less-soluble salts. See http://www.rsc.org/suppdata/ob/b2/b211327a/","Organic & Biomolecular Chemistry","2003","1","6","1080","","10.1039/b211327a","","","0.71073","MoKα","","0.152","0.0495","","","0.0759","0.0973","","","","","","0.796","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150477","7.512","0.001","18.733","0.004","11.599","0.002","90","","103.1","0.01","90","","1589.8","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Crystal 6((S)-1/4)","(S)-alpha-[[(1,1-dimethylethyl)amino]methyl]-3,5-dihydroxybenzenemethanol (2S,3S)-di-O-toluoyl tartrate","","- C32 H37 N O11 -","- C12.8 H14.8 N0.4 O4.4 -","- C64 H74 N2 O22 -","5","2.5","","Liao, Jian; Peng, Xiaohua; Zhang, Juhua; Yu, Kaibei; Cui, Xin; Zhu, Jin; Deng, Jingen","Facile resolution of racemic terbutaline and a study of molecular recognition through chiral supramolecules based on enantiodifferentiating self-assemblyElectronic supplementary information (ESI) available: 1) 1H and 13C NMR analyses of (R)-1·4 and (S)-1·4; 2) ORTEP views and stacking structures of crystals 5, 7 and 8; 3) DSC and TG analyses of the more- and less-soluble salts. See http://www.rsc.org/suppdata/ob/b2/b211327a/","Organic & Biomolecular Chemistry","2003","1","6","1080","","10.1039/b211327a","","","0.71073","MoKα","","0.0579","0.0418","","","0.1003","0.1066","","","","","","0.944","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150478","7.506","0.001","18.714","0.003","11.59","0.002","90","","103.03","0.01","90","","1586.1","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Crystal 5((S)-1/4)","(S)-alpha-[[(1,1-dimethylethyl)amino]methyl]-3,5-dihydroxybenzenemethanol (2S,3S)-di-O-toluoyl tartrate","","- C32 H37 N O11 -","- C32 H37 N O11 -","- C64 H74 N2 O22 -","2","1","","Liao, Jian; Peng, Xiaohua; Zhang, Juhua; Yu, Kaibei; Cui, Xin; Zhu, Jin; Deng, Jingen","Facile resolution of racemic terbutaline and a study of molecular recognition through chiral supramolecules based on enantiodifferentiating self-assemblyElectronic supplementary information (ESI) available: 1) 1H and 13C NMR analyses of (R)-1·4 and (S)-1·4; 2) ORTEP views and stacking structures of crystals 5, 7 and 8; 3) DSC and TG analyses of the more- and less-soluble salts. See http://www.rsc.org/suppdata/ob/b2/b211327a/","Organic & Biomolecular Chemistry","2003","1","6","1080","","10.1039/b211327a","","","0.71073","MoKα","","0.0676","0.045","","","0.1061","0.1151","","","","","","0.925","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150479","7.81","0.001","21.431","0.004","21.948","0.003","90","","90","","90","","3673.6","1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Crystal 8 ((R)-1/4)","Inclusion complex of (R)-alpha-[[(1,1-dimethylethyl)amino]methyl]- 3,5-dihydroxybenzenemethanol (2S,3S)-di-O-toluoyl tartrate hydrate and acetone","","- C35 H45 N O13 -","- C35 H45 N O13 -","- C140 H180 N4 O52 -","4","1","","Liao, Jian; Peng, Xiaohua; Zhang, Juhua; Yu, Kaibei; Cui, Xin; Zhu, Jin; Deng, Jingen","Facile resolution of racemic terbutaline and a study of molecular recognition through chiral supramolecules based on enantiodifferentiating self-assemblyElectronic supplementary information (ESI) available: 1) 1H and 13C NMR analyses of (R)-1·4 and (S)-1·4; 2) ORTEP views and stacking structures of crystals 5, 7 and 8; 3) DSC and TG analyses of the more- and less-soluble salts. See http://www.rsc.org/suppdata/ob/b2/b211327a/","Organic & Biomolecular Chemistry","2003","1","6","1080","","10.1039/b211327a","","","0.71073","MoKα","","0.0912","0.0464","","","0.099","0.1124","","","","","","0.862","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150480","6.4904","0.0004","16.785","0.0011","8.2216","0.0005","90","","102.454","0.001","90","","874.6","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Ethoxyl-3,5-dinitropyridine","","- C7 H7 N3 O5 -","- C7 H7 N3 O5 -","- C28 H28 N12 O20 -","4","1","","Crampton, Michael R.; Emokpae, Thomas A.; Howard, Judith A. K.; Isanbor, Chukwuemeka; Mondal, Raju","Kinetic and equilibrium studies of σ-adduct formation and nucleophilic substitution in the reactions of 2-phenoxy-3,5-dinitropyridine and 2-ethoxy-3,5-dinitropyridine with aliphatic amines in dipolar aprotic solventsElectronic supplementary information (ESI) available: Tables 10‒15. See http://www.rsc.org/suppdata/ob/b2/b211639c/","Organic & Biomolecular Chemistry","2003","1","6","1004","","10.1039/b211639c","","","0.71073","MoKα","","0.0465","0.0378","","","0.0959","0.101","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150481","5.9847","0.0012","7.3833","0.0015","12.375","0.003","94.29","0.03","95.28","0.03","91.8","0.03","542.6","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","NPIP","2-Piperidine-3,5-dinitropyridine","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C20 H24 N8 O8 -","2","1","","Crampton, Michael R.; Emokpae, Thomas A.; Howard, Judith A. K.; Isanbor, Chukwuemeka; Mondal, Raju","Kinetic and equilibrium studies of σ-adduct formation and nucleophilic substitution in the reactions of 2-phenoxy-3,5-dinitropyridine and 2-ethoxy-3,5-dinitropyridine with aliphatic amines in dipolar aprotic solventsElectronic supplementary information (ESI) available: Tables 10‒15. See http://www.rsc.org/suppdata/ob/b2/b211639c/","Organic & Biomolecular Chemistry","2003","1","6","1004","","10.1039/b211639c","","","0.71073","MoKα","","0.0361","0.0332","","","0.0935","0.0963","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150482","9.1922","0.0011","7.1341","0.0011","31.75","0.004","90","","90","","90","","2082.1","0.5","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene 1,3-benzenedicarboxylic acid","","- C24 H20 N4 O4 -","- C24 H20 N4 O4 -","- C96 H80 N16 O16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.0701","0.0666","","","0.1534","0.1577","","","","","","1.17","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150483","35.743","0.007","9.285","0.002","7.338","0.001","90","","90","","90","","2435.3","0.8","100","2","100","2","","","","","","","","4","A m a 2","A 2 -2a","40","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene 4,4'-oxybisbenzoic acid","","- C30 H24 N4 O5 -","- C30 H24 N4 O5 -","- C120 H96 N16 O20 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.055","0.0371","","","0.0788","0.0836","","","","","","0.985","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150484","7.281","0.003","24.097","0.006","8.919","0.003","90","","90","","90","","1564.8","0.9","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene oxalic acid","","- C18 H16 N4 O4 -","- C18 H16 N4 O4 -","- C72 H64 N16 O16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","1.54178","CuKα","","0.0853","0.0352","","","0.0785","0.0853","","","","","","0.988","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150485","5.492","0.001","34.585","0.002","6.318","0.001","90","","102.81","0.01","90","","1170.2","0.3","130","2","130","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene sebacic acid","","- C26 H32 N4 O4 -","- C26 H32 N4 O4 -","- C52 H64 N8 O8 -","2","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.0811","0.0561","","","0.1135","0.1293","","","","","","1.122","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150486","7.251","0.004","24.325","0.005","9.185","0.003","90","","90","","90","","1620.1","1.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene squaric acid","","- C20 H16 N4 O4 -","- C20 H16 N4 O4 -","- C80 H64 N16 O16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.1333","0.0838","","","0.1717","0.2047","","","","","","1.132","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150487","5.7015","0.0005","26.821","0.003","6.1015","0.0006","90","","104.708","0.008","90","","902.47","0.16","294","2","294","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene succinic acid","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C40 H40 N8 O8 -","2","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","1.54178","CuKα","","0.0453","0.0372","","","0.1011","0.1064","","","","","","1.048","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150488","10.268","0.002","15.529","0.003","11.158","0.002","90","","105.47","0.03","90","","1714.7","0.6","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-bis(2-pyridyl)-1,3-diaminobenzene 1,4-benzeneicarboxylic acid 2:1","","- C20 H17 N4 O2 -","- C20 H17 N4 O2 -","- C80 H68 N16 O8 -","4","1","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.05","0.0406","","","0.1168","0.1235","","","","","","1.097","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150489","9.117","0.002","14.433","0.004","19.312","0.006","90","","90","","90","","2541.2","1.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N,N'-bis(2-pyridyl)-1,4-diaminobenzene 2,2'-biphenyldicarboxylic acid co-crystal","","- C30 H24 N4 O4 -","- C30 H24 N4 O4 -","- C120 H96 N16 O16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.1369","0.0398","","","0.0977","0.1129","","","","","","0.981","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150490","17.29","0.002","4.0427","0.0005","24.72","0.003","90","","93.121","0.011","90","","1725.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(2-pyridyl)-1,4-diaminobenzene malonic acid co-crystal","","- C19 H18 N4 O4 -","- C19 H18 N4 O4 -","- C76 H72 N16 O16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","1.54178","CuKα","","0.0657","0.0345","","","0.0871","0.0986","","","","","","1.021","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150491","8.4312","0.0009","10.1438","0.0012","15.0064","0.0015","85.842","0.009","73.025","0.009","78.006","0.009","1200.6","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(2-pyridyl)-1,4-diaminobenzene sebacic acid","","- C26 H32 N4 O4 -","- C26 H32 N4 O4 -","- C52 H64 N8 O8 -","2","1","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.1829","0.0565","","","0.1004","0.1302","","","","","","0.864","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150492","3.842","0.001","9.062","0.002","12.098","0.002","87.23","0.03","81.25","0.03","78.18","0.03","407.41","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(2-pyridyl)-1,4-diaminobenzene squaric acid co-crystal","","- C20 H16 N4 O4 -","- C20 H16 N4 O4 -","- C20 H16 N4 O4 -","1","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.0693","0.051","","","0.096","0.1074","","","","","","1.127","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150493","7.767","0.0013","8.8044","0.0017","9.1959","0.0017","62.048","0.019","71.921","0.017","70.707","0.016","515.1","0.19","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(2-pyridyl)-1,4-diaminobenzene 1,4-benzenedicarboxylic acid","","- C24 H20 N4 O4 -","- C24 H20 N4 O4 -","- C24 H20 N4 O4 -","1","0.5","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","1.54178","CuKα","","0.0546","0.0466","","","0.1237","0.1275","","","","","","1.069","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150494","8.783","0.0011","10.6035","0.0011","13.8087","0.0015","88.06","0.009","87.645","0.009","86.861","0.009","1282.4","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(2-pyridyl)-4,4'-methylenebis(aminobenzene) 1,4-benzenedicarboxylic acid ethanol 2:1:2","","- C29 H29 N4 O3 -","- C29 H29 N4 O3 -","- C58 H58 N8 O6 -","2","1","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.1515","0.0713","","","0.1562","0.1934","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150495","10.3442","0.0007","11.7028","0.0009","12.6687","0.0009","78.461","0.006","65.91","0.006","73.925","0.006","1338.68","0.18","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(2-pyridyl)-4,4'-oxybis(aminobenzene) 1,4-benzenedicarboxylic acid hydrate 1:1:1","","- C30 H26 N4 O6 -","- C30 H26 N4 O6 -","- C60 H52 N8 O12 -","2","1","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.0571","0.0423","","","0.1193","0.1289","","","","","","1.058","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150496","28.8097","0.0018","7.8866","0.0006","18.5925","0.001","90","","98.004","0.005","90","","4183.3","0.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(2-pyridyl)-2,2'-oxybis(aminobenzene) fumaric acid co-crystal","","- C24 H20 N4 O3 -","- C24 H20 N4 O3 -","- C192 H160 N32 O24 -","8","1","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.0622","0.0489","","","0.1331","0.1452","","","","","","1.071","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150497","8.2875","0.0006","10.1511","0.0008","13.3739","0.001","78.828","0.007","87.705","0.006","84.019","0.006","1097.55","0.15","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(2-pyridyl)-2,2'-oxybis(aminobenzene) 1,4-benzenedicarboxylic acid co-crystal","","- C26 H21 N4 O3 -","- C26 H21 N4 O3 -","- C52 H42 N8 O6 -","2","1","","Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz","Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5","Organic & Biomolecular Chemistry","2003","1","8","1425","","10.1039/b211675h","","","0.71073","MoKα","","0.0768","0.0478","","","0.1036","0.1204","","","","","","1.074","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150498","8.962","0.002","8.981","0.002","19.587","0.004","82.32","0.02","88.22","0.02","66.69","0.02","1434.4","0.6","298.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C33 H32 O7 -","- C33 H32 O7 -","- C66 H64 O14 -","2","2","","Yamauchi, Satoshi; Uno, Hidemitsu","Syntheses of the stereoisomers of neolignans morinol C and D","Organic & Biomolecular Chemistry","2003","1","8","1323","","10.1039/b211801g","","","0.7107","MoKa","","","0.0581","","","","0.1486","","","","","","1.207","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150499","16.192","0.005","10.689","0.004","17.644","0.006","90","","91.95","0.02","90","","3052","1.8","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Fe2 N2 O2 -","- C36 H36 Fe2 N2 O2 -","- C144 H144 Fe8 N8 O8 -","4","1","","Coutouli-Argyropoulou, Evdoxia; Tsitabani, Maria; Petrantonakis, Georgios; Terzis, Aris; Raptopoulou, Catherine","Labeling of organic biomolecules with ethynylferrocene","Organic & Biomolecular Chemistry","2003","1","8","1382","","10.1039/b300191a","","","1.5418","CuKα","","0.1223","0.059","","0.1955","0.1448","","","","1.05","1.126","1.126","","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150500","9.589","0.006","13.179","0.007","13.454","0.007","110.43","0.03","100.31","0.03","101.43","0.03","1503.6","1.5","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 Br6 N2 -","- C31 H19 Br6 N2 -","- C62 H38 Br12 N4 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Why a hexabromodiquinoline host preferentially includes small aromatic hydrocarbon guests","Organic & Biomolecular Chemistry","2003","1","8","1435","","10.1039/b300248a","","","0.71073","MoKα","","","0.043","","","","0.051","","","","","","1.6","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150501","10.107","0.005","11.121","0.005","14.41","0.007","74.44","0.04","72.35","0.04","79.62","0.03","1478.2","1.3","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 Br6 N2 -","- C30 H20 Br6 N2 -","- C60 H40 Br12 N4 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Why a hexabromodiquinoline host preferentially includes small aromatic hydrocarbon guests","Organic & Biomolecular Chemistry","2003","1","8","1435","","10.1039/b300248a","","","0.71073","MoKα","","","0.079","","","","0.096","","","","","","1.72","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150502","9.596","0.005","12.682","0.006","13.545","0.007","107.47","0.03","96.61","0.03","106.84","0.02","1467.6","1.3","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 Br6 N2 -","- C30 H20 Br6 N2 -","- C60 H40 Br12 N4 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Why a hexabromodiquinoline host preferentially includes small aromatic hydrocarbon guests","Organic & Biomolecular Chemistry","2003","1","8","1435","","10.1039/b300248a","","","0.71073","MoKα","","","0.06","","","","0.072","","","","","","1.66","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150503","9.212","0.005","15.384","0.006","17.735","0.007","90","","111.75","0.02","90","","2334.4","1.8","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Br6 N2 -","- C22 H10 Br6 N2 -","- C88 H40 Br24 N8 -","4","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Why a hexabromodiquinoline host preferentially includes small aromatic hydrocarbon guests","Organic & Biomolecular Chemistry","2003","1","8","1435","","10.1039/b300248a","","","0.71073","MoKα","","","0.062","","","","0.068","","","","","","1.91","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150504","9.384","0.005","12.901","0.006","13.415","0.007","103.57","0.02","100.24","0.03","109.04","0.02","1434.1","1.3","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H18 Br6 N2 -","- C29 H15 Br6 N2 -","- C58 H30 Br12 N4 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Why a hexabromodiquinoline host preferentially includes small aromatic hydrocarbon guests","Organic & Biomolecular Chemistry","2003","1","8","1435","","10.1039/b300248a","","","0.71073","MoKα","","","0.079","","","","0.095","","","","","","1.69","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150505","8.283","0.003","12.655","0.004","9.554","0.002","90","","90.09","0.02","90","","1001.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(+/-)-2,4-dichloro-cis-3a,4,7,7a-tetrahydro-cis-4,7-epithio- 1-benzothiophene-trans-1-syn-8-dioxide","","- C8 H6 Cl2 O2 S2 -","- C8 H6 Cl2 O2 S2 -","- C32 H24 Cl8 O8 S8 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Gunaratne, Nimal; Haughey, Simon A.; Kennedy, Martina A.; Malone, John F.; Allen, Christopher C. R.; Dalton, Howard","Dioxygenase-catalysed oxidation of monosubstituted thiophenes: sulfoxidation versus dihydrodiol formation","Organic & Biomolecular Chemistry","2003","1","6","984","","10.1039/b300867n","","","1.54178","CuKα","","0.0744","0.0683","","","0.1779","0.1817","","","","","","1.056","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150506","11.1658","0.0009","6.6249","0.0005","13.2296","0.001","90","","111.526","0.0012","90","","910.37","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)-6-acetyl-1-methyl-7lambda4-thiabicyclo[2.2.1]hepta-2-en-7-one","","- C9 H12 O2 S -","- C9 H12 O2 S -","- C36 H48 O8 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Gunaratne, Nimal; Haughey, Simon A.; Kennedy, Martina A.; Malone, John F.; Allen, Christopher C. R.; Dalton, Howard","Dioxygenase-catalysed oxidation of monosubstituted thiophenes: sulfoxidation versus dihydrodiol formation","Organic & Biomolecular Chemistry","2003","1","6","984","","10.1039/b300867n","","","0.71073","MoKα","","0.1014","0.0912","","","0.2658","0.2759","","","","","","0.954","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150507","10.889","0.002","28.96","0.005","9.213","0.002","90","","106.59","0.02","90","","2784.3","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9,10-Dicyano-9-(6-bromo-5-oxocyclohepta-1,3,6- trienyl)-10-(7-oxocyclohepta- 1,3,5-trienyl)-9,10- dihydroanthracene","","- C36 H23 Br N2 O2 -","- C36 H23 Br N2 O2 -","- C144 H92 Br4 N8 O8 -","4","1","","Mori, Akira; Kawakami, Hiroko; Kato, Nobuo; Wu, Shu-Ping; Takeshita, Hitoshi","Photochemical reactions of 2-bromotropone and 2,7-dibromotropone with 9,10-dicyanoanthracene","Organic & Biomolecular Chemistry","2003","1","10","1730","","10.1039/b300922j","","","1.54184","CuKα","","0.0718","0.048","","0.1446","0.1275","","","","1.039","1.068","1.068","","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150508","16.772","0.003","7.698","0.001","25.944","0.006","90","","94.46","0.02","90","","3339.5","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-Bromo-7-(10-cyano-9-anthryl)tropone","2-Bromo-7-(10-cyano-9-anthryl) cyclohepta-2,4,6-trien-1-one","","- C22 H12 Br N O -","- C22 H12 Br N O -","- C176 H96 Br8 N8 O8 -","8","1","","Mori, Akira; Kawakami, Hiroko; Kato, Nobuo; Wu, Shu-Ping; Takeshita, Hitoshi","Photochemical reactions of 2-bromotropone and 2,7-dibromotropone with 9,10-dicyanoanthracene","Organic & Biomolecular Chemistry","2003","1","10","1730","","10.1039/b300922j","","","1.54184","CuKα","","0.0557","0.0428","","0.1214","0.111","","","","1.059","1.083","1.083","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150509","13.614","0.003","13.721","0.006","13.427","0.003","104.95","0.02","108.12","0.02","111.56","0.02","2010.8","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","9-(3-Bromo-2-oxocycloheptatrienyl)-9- cyanoanthran-5-one","","- C50 H30 Br2 N2 O4 -","- C50 H30 Br2 N2 O4 -","- C100 H60 Br4 N4 O8 -","2","1","","Mori, Akira; Kawakami, Hiroko; Kato, Nobuo; Wu, Shu-Ping; Takeshita, Hitoshi","Photochemical reactions of 2-bromotropone and 2,7-dibromotropone with 9,10-dicyanoanthracene","Organic & Biomolecular Chemistry","2003","1","10","1730","","10.1039/b300922j","","","1.54184","CuKα","","0.0504","0.0457","","0.1275","0.1236","","","","1.09","1.112","1.112","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150510","11.026","0.002","23.928","0.004","9.7068","0.0011","90","","91.854","0.012","90","","2559.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-(6-Bromo-7-oxocycloheptatrienyl)- 9,10-dicyano-10-(4,5,6-tribromocyclohex-2-enyl)- 9,10-dihydroanthracene","","- C29 H18 Br4 N2 O -","- C29 H18 Br4 N2 O -","- C116 H72 Br16 N8 O4 -","4","1","","Mori, Akira; Kawakami, Hiroko; Kato, Nobuo; Wu, Shu-Ping; Takeshita, Hitoshi","Photochemical reactions of 2-bromotropone and 2,7-dibromotropone with 9,10-dicyanoanthracene","Organic & Biomolecular Chemistry","2003","1","10","1730","","10.1039/b300922j","","","1.54184","CuKα","","0.0592","0.053","","0.1441","0.1394","","","","1.063","1.091","1.091","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150511","16.906","0.008","14.087","0.007","7.001","0.004","90","","90.368","0.01","90","","1667.3","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methyl-dihydro-1,3,4-benzotriazepin-5-ones","4-Methyl-dihydro-1,3,4-benzotriazepin-5-ones","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C72 H72 N24 O8 -","8","2","","Zahra, Jalal A.; El-Abadelah, Mustafa M.; Nazer, Musa Z.; Ebraheem, Kais A. K.; Boese, Roland","Investigations on the structure of 4-methyldihydro-1,3,4-benzotriazepin-5-ones. Tautomer reassignment","Organic & Biomolecular Chemistry","2003","1","10","1798","","10.1039/b301047c","","","0.71073","MoKα","","0.1032","0.0714","","","0.1812","0.2077","","","","","","1.021","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150512","8.0987","0.001","8.0844","0.0006","23.252","0.002","90","","99.511","0.011","90","","1501.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Arene chromium complex","","","- C14 H16 Cr O6 -","- C14 H16 Cr O6 -","- C56 H64 Cr4 O24 -","4","1","","Kumar Tipparaju, Suresh; Puranik, Vedavati G.; Sarkar, Amitabha","Chelation-control in nucleophilic addition to Cr(CO)3-complexed aryl aldehydesElectronic supplementary information (ESI) available: 1) 200 and 300 MHz 1H NMR spectra of selected compounds; 2) Crystallographic tables of bond angles, bond lengths, torsional angles etc. for compounds 3a and 3a?. See http://www.rsc.org/suppdata/ob/b3/b301426f/","Organic & Biomolecular Chemistry","2003","1","10","1720","","10.1039/b301426f","","","0.7093","MoKα","","0.0527","0.035","","","0.0889","0.0949","","","","","","1.022","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150513","13.6389","0.0013","8.9939","0.0011","13.7401","0.0014","90","","113.594","0.007","90","","1544.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Arene chromium complex","","","- C14 H16 Cr O6 -","- C14 H16 Cr O6 -","- C56 H64 Cr4 O24 -","4","1","","Kumar Tipparaju, Suresh; Puranik, Vedavati G.; Sarkar, Amitabha","Chelation-control in nucleophilic addition to Cr(CO)3-complexed aryl aldehydesElectronic supplementary information (ESI) available: 1) 200 and 300 MHz 1H NMR spectra of selected compounds; 2) Crystallographic tables of bond angles, bond lengths, torsional angles etc. for compounds 3a and 3a?. See http://www.rsc.org/suppdata/ob/b3/b301426f/","Organic & Biomolecular Chemistry","2003","1","10","1720","","10.1039/b301426f","","","0.7093","MoKα","","0.035","0.0289","","","0.0838","0.0861","","","","","","1.087","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150514","9.6207","0.0011","10.9214","0.0013","11.3237","0.0013","109.183","0.002","101.783","0.002","98.254","0.002","1071.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","5,5'-difluorophenylindigo‒3,3'-bis(4-fluorophenylimine)","","","- C28 H16 F4 N4 -","- C28 H16 F4 N4 -","- C56 H32 F8 N8 -","2","1","","Boeyens, Jan C. A.; Cook, Leanne M.; Ding, Yunxiang; Fernandes, Manuel A.; Reid, David H.","Thermal oligomerisation of aryl isocyanides: formation of pyrazino[1,2-a:4,5-a?]diindoles and indigo diarylimines","Organic & Biomolecular Chemistry","2003","1","12","2168","","10.1039/b302340k","","","0.71073","MoKα","","0.1138","0.0508","","","0.1222","0.1471","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150515","7.977","0.0011","10.8182","0.0015","13.3466","0.0019","109.812","0.002","93.863","0.002","95.079","0.003","1073.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","7,14-di-(4-fluorophenylamino)-6,13-di-(4-fluorophenylimino)pyrazino [1,2-a:4,5-a']diindole","","","- C48 H38 F6 N8 O2 -","- C48 H38 F6 N8 O2 -","- C48 H38 F6 N8 O2 -","1","0.5","","Boeyens, Jan C. A.; Cook, Leanne M.; Ding, Yunxiang; Fernandes, Manuel A.; Reid, David H.","Thermal oligomerisation of aryl isocyanides: formation of pyrazino[1,2-a:4,5-a?]diindoles and indigo diarylimines","Organic & Biomolecular Chemistry","2003","1","12","2168","","10.1039/b302340k","","","0.71073","MoKα","","0.1095","0.0505","","","0.1259","0.1478","","","","","","0.991","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150516","26.112","0.003","9.913","0.001","16.461","0.002","90","","127.628","0.006","90","","3374.6","0.7","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C136 H184 N8 O16 S8 -","8","1","","O'Mahony, Donogh J. R.; Belanger, David B.; Livinghouse, Tom","Substrate control of stereoselection in the rhodium(i) catalyzed intramolecular [4 + 2] cycloaddition reactionElectronic supplementary information (ESI) available: experimental procedures and spectroscopic data for compounds 4a?d and 6a?c. See http://www.rsc.org/suppdata/ob/b3/b302426c/","Organic & Biomolecular Chemistry","2003","1","12","2038","","10.1039/b302426c","","","0.7107","MoKα","","","0.0528","","0.0763","0.0481","","","","","","","1.371","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150517","11.595","0.006","12.862","0.005","11.561","0.006","101.31","0.04","119.63","0.03","73.15","0.03","1431.5","1.3","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H36 Cl5 N3 O5 Os -","- C19 H36 Cl5 N3 O5 Os -","- C38 H72 Cl10 N6 O10 Os2 -","2","1","","Donohoe, Timothy J.; Mitchell, Lee; Waring, Michael J.; Helliwell, Madeleine; Bell, Andrew; Newcombe, Nicholas J.","Scope of the directed dihydroxylation: application to cyclic homoallylic alcohols and trihaloacetamides","Organic & Biomolecular Chemistry","2003","1","12","2173","","10.1039/b303081d","","","0.7107","MoKα","","0.066","0.0354","","0.0369","0.0316","","","","1.609","1.521","1.521","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7150518","11.19","0.02","11.405","0.01","15.857","0.01","90","","102.57","0.04","90","","1975","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 Cl3 N3 O5 Os -","- C13 H24 Cl3 N3 O5 Os -","- C52 H96 Cl12 N12 O20 Os4 -","4","1","","Donohoe, Timothy J.; Mitchell, Lee; Waring, Michael J.; Helliwell, Madeleine; Bell, Andrew; Newcombe, Nicholas J.","Scope of the directed dihydroxylation: application to cyclic homoallylic alcohols and trihaloacetamides","Organic & Biomolecular Chemistry","2003","1","12","2173","","10.1039/b303081d","","","0.71069","MoKα","","0.0261","0.024","","","0.0619","0.0629","","","","","","1.023","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150519","10.771","0.001","11.765","0.001","12.279","0.001","69.53","0.01","85.1","0.01","85.96","0.01","1451.1","0.2","120","0.2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F18 N2 O6 -","- C24 H16 F18 N2 O6 -","- C48 H32 F36 N4 O12 -","2","1","","Chambers, Richard D.; Hoskin, Philip R.; Kenwright, Alan R.; Khalil, Ali; Richmond, Paul; Sandford, Graham; Yufit, Dmitrii S.; Howard, Judith A. K.","Polyhalogenated heterocyclic compounds. Macrocycles from perfluoro-4-isopropylpyridinePart 50. For part 49 see ref. 1.","Organic & Biomolecular Chemistry","2003","1","12","2137","","10.1039/b303443g","","","0.71073","MoKα","","0.2019","0.0762","","","0.1519","0.1921","","","","","","0.952","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150520","11.0542","0.0004","14.1784","0.0005","18.7552","0.0006","90","","102.96","0.001","90","","2864.64","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 F18 N2 O6 -","- C24 H16 F18 N2 O6 -","- C96 H64 F72 N8 O24 -","4","1","","Chambers, Richard D.; Hoskin, Philip R.; Kenwright, Alan R.; Khalil, Ali; Richmond, Paul; Sandford, Graham; Yufit, Dmitrii S.; Howard, Judith A. K.","Polyhalogenated heterocyclic compounds. Macrocycles from perfluoro-4-isopropylpyridinePart 50. For part 49 see ref. 1.","Organic & Biomolecular Chemistry","2003","1","12","2137","","10.1039/b303443g","","","0.71073","MoKα","","0.0532","0.0439","","","0.1101","0.1175","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150521","13.473","0.003","23.261","0.005","11.079","0.002","90","","113.78","0.03","90","","3177.3","1.4","120","0.2","120","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H12 F18 N2 O4 -","- C30 H12 F18 N2 O4 -","- C120 H48 F72 N8 O16 -","4","1","","Chambers, Richard D.; Hoskin, Philip R.; Kenwright, Alan R.; Khalil, Ali; Richmond, Paul; Sandford, Graham; Yufit, Dmitrii S.; Howard, Judith A. K.","Polyhalogenated heterocyclic compounds. Macrocycles from perfluoro-4-isopropylpyridinePart 50. For part 49 see ref. 1.","Organic & Biomolecular Chemistry","2003","1","12","2137","","10.1039/b303443g","","","0.71073","MoKα","","0.1322","0.1168","","","0.2795","0.31","","","","","","1.095","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150522","14.2011","0.0005","8.4725","0.0003","9.4479","0.0003","90","","102.114","0.001","90","","1111.45","0.07","120","0.2","120","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","19,20-diaza-8,17-bis[1,2,2,2-tetrafluoromethyl)ethyl]-7,9,16,18-tetrafluoro-2,5,11,14-tetraoxatricyclo[13.3.1.1^6,10^]icosa-1(19),6,8,10(20),15,17-hexaene","","- C20 H8 F18 N2 O4 -","- C20 H8 F18 N2 O4 -","- C40 H16 F36 N4 O8 -","2","0.5","","Chambers, Richard D.; Hoskin, Philip R.; Kenwright, Alan R.; Khalil, Ali; Richmond, Paul; Sandford, Graham; Yufit, Dmitrii S.; Howard, Judith A. K.","Polyhalogenated heterocyclic compounds. Macrocycles from perfluoro-4-isopropylpyridinePart 50. For part 49 see ref. 1.","Organic & Biomolecular Chemistry","2003","1","12","2137","","10.1039/b303443g","","","0.71073","MoKα","","0.0643","0.0429","","","0.0997","0.1101","","","","","","1.022","","","","has coordinates","211399","2020-10-21","18:00:00",""
"7150523","7.014","0.001","7.085","0.001","14.149","0.002","77.79","0.02","89.21","0.01","77.4","0.02","670.28","0.18","243","2","243","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C30 H20 N8 -","2","1","","Nicolle N. P. Moonen; Robin Gist; Corinne Boudon; Jean-Paul Gisselbrecht; Paul Seiler; Tsuyoshi Kawai; Atsushi Kishioka; Maurice Gross; Masahiro Irie; François Diederich","Donor-substituted cyanoethynylethenes: powerful chromophores for opto-electronic applications","Org. Biomol. Chem.","2003","1","12","2032","2034","10.1039/b303879c","","","1.5418","CuKα","","0.064","0.0583","","","0.1721","0.1787","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150524","3.9477","0.0002","11.1064","0.0004","22.3725","0.0009","90","","93.769","0.002","90","","978.79","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C48 H40 N8 -","2","0.5","","Nicolle N. P. Moonen; Robin Gist; Corinne Boudon; Jean-Paul Gisselbrecht; Paul Seiler; Tsuyoshi Kawai; Atsushi Kishioka; Maurice Gross; Masahiro Irie; François Diederich","Donor-substituted cyanoethynylethenes: powerful chromophores for opto-electronic applications","Org. Biomol. Chem.","2003","1","12","2032","2034","10.1039/b303879c","","","0.7107","MoKα","","0.1077","0.0531","","","0.1081","0.1582","","","","","","1.267","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150525","7.417","0.005","10.385","0.005","10.651","0.005","68.383","0.005","83.788","0.005","82.9","0.005","755.1","0.7","120","2","120","2","","","","","","","Riaz Bhunnoo","4","P -1","-P 1","2","","","","- C28 H54 O6 Si2 -","- C28 H54 O6 Si2 -","- C28 H54 O6 Si2 -","1","0.5","","Bhunnoo, Riaz A; Hobbs, Heather; Lainé, Dramane I; Light, Mark E; Brown, Richard C D","Synthesis of the non-adjacent bis-THF core of cis-sylvaticin using a double oxidative cyclisation.","Organic & biomolecular chemistry","2009","7","5","1017","1024","10.1039/b813201a","","","0.71069","MoKα","","0.0665","0.0455","","","0.0981","0.1072","","","","","","1.018","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150526","27.2736","0.001","16.3323","0.0009","24.0996","0.001","90","","116.999","0.006","90","","9565","0.9","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C108 H124 O12 P4 -","- C105 H108 O9 P4 -","- C420 H432 O36 P16 -","4","1","","Moll, Hani El; Sémeril, David; Matt, Dominique; Youinou, Marie-Thérèse; Toupet, Loïc","Synthesis of a resorcinarene-based tetraphosphine-cavitand and its use in Heck reactions","Organic & Biomolecular Chemistry","2009","7","3","495","501","10.1039/b813373e","","","0.71069","MoKα","","0.1643","0.0601","","","0.1457","0.1639","","","","","","0.752","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150527","9.0302","0.0003","8.0096","0.0003","12.164","0.0004","90","","109.737","0.001","90","","828.12","0.05","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Evans, Amanda C.; Longbottom, Deborah A.; Matsuoka, Masato; Davies, John E.; Turner, Richard; Franckevičius, Vilius; Ley, Steven V.","Highly diastereoselective desymmetrisation of cyclic meso-anhydrides and derivatisation for use in natural product synthesis","Organic & Biomolecular Chemistry","2009","7","4","747","760","10.1039/b813494d","","","0.71073","MoKα","","0.0453","0.0385","","","0.0866","0.0913","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150528","7.6843","0.0002","10.9358","0.0003","10.2015","0.0003","90","","100.974","0.002","90","","841.6","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Evans, Amanda C.; Longbottom, Deborah A.; Matsuoka, Masato; Davies, John E.; Turner, Richard; Franckevičius, Vilius; Ley, Steven V.","Highly diastereoselective desymmetrisation of cyclic meso-anhydrides and derivatisation for use in natural product synthesis","Organic & Biomolecular Chemistry","2009","7","4","747","760","10.1039/b813494d","","","0.71073","MoKα","","0.0596","0.042","","","0.1141","0.1424","","","","","","1.349","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150529","6.5353","0.0001","9.8759","0.0001","30.2519","0.0005","90","","90","","90","","1952.52","0.05","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O6 S -","- C20 H27 N O6 S -","- C80 H108 N4 O24 S4 -","4","1","","Evans, Amanda C.; Longbottom, Deborah A.; Matsuoka, Masato; Davies, John E.; Turner, Richard; Franckevičius, Vilius; Ley, Steven V.","Highly diastereoselective desymmetrisation of cyclic meso-anhydrides and derivatisation for use in natural product synthesis","Organic & Biomolecular Chemistry","2009","7","4","747","760","10.1039/b813494d","","","0.71073","MoKα","","0.0297","0.0282","","","0.07","0.0713","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150530","5.797","0.002","12.152","0.004","20.075","0.006","90","","90","","90","","1414.2","0.8","193.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Zhang, Xue-jing; Yan, Ming; Huang, Dan","Catalyzed addition of diazoacetoacetates to imines: synthesis of highly functionalized aziridines","Organic & Biomolecular Chemistry","2009","7","1","187","192","10.1039/b813763c","","","0.7107","MoKα","","","0.089","","","","0.21","","","","","","1.154","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150531","6.074","0.001","11.401","0.001","12.309","0.002","93.98","0.01","93.6","0.01","90.25","0.02","848.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","","Garcia-Garibay, Miguel A; Dang, Hung","Photochemical generation, intramolecular reactions, and spectroscopic detection of oxonium ylide and carbene intermediates in a crystalline ortho-(1,3-dioxolan-2-yl)-diaryldiazomethane.","Organic & biomolecular chemistry","2009","7","6","1106","1114","10.1039/b814387k","","","0.71073","MoKα","","0.0483","0.0398","","","0.1135","0.1185","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150532","8.868","0.003","7.529","0.003","23.243","0.008","90","","97.091","0.006","90","","1540","1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Garcia-Garibay, Miguel A; Dang, Hung","Photochemical generation, intramolecular reactions, and spectroscopic detection of oxonium ylide and carbene intermediates in a crystalline ortho-(1,3-dioxolan-2-yl)-diaryldiazomethane.","Organic & biomolecular chemistry","2009","7","6","1106","1114","10.1039/b814387k","","","0.71073","MoKα","","0.2099","0.0641","","","0.135","0.1969","","","","","","0.952","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150533","13.352","0.0002","6.54","0.0001","32.4439","0.0005","90","","99.008","0.001","90","","2798.13","0.07","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","19β,28-epoxy-18α-olean-3β-yl acetate","","- C32 H52 O3 -","- C32 H52 O3 -","- C128 H208 O12 -","4","1","","Salvador, Jorge A. R.; Pinto, Rui M. A.; Santos, Rita C.; Le Roux, Christophe; Beja, Ana Matos; Paixão, José A.","Bismuth triflate-catalyzed Wagner-Meerwein rearrangement in terpenes. Application to the synthesis of the 18α-oleanane core and A-neo-18α-oleanene compounds from lupanes","Organic & Biomolecular Chemistry","2009","7","3","508","517","10.1039/b814448f","","","0.71073","MoKα","","0.0408","0.0355","","","0.0951","0.0994","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150534","13.2214","0.0004","6.4962","0.0002","29.842","0.0009","90","","93.615","0.002","90","","2558","0.13","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","A-neo-18α-olean-3(5)-en-28,19β-olide","","- C30 H46 O2 -","- C30 H46 O2 -","- C120 H184 O8 -","4","1","","Salvador, Jorge A. R.; Pinto, Rui M. A.; Santos, Rita C.; Le Roux, Christophe; Beja, Ana Matos; Paixão, José A.","Bismuth triflate-catalyzed Wagner-Meerwein rearrangement in terpenes. Application to the synthesis of the 18α-oleanane core and A-neo-18α-oleanene compounds from lupanes","Organic & Biomolecular Chemistry","2009","7","3","508","517","10.1039/b814448f","","","0.71073","MoKα","","0.0971","0.0462","","","0.0958","0.1158","","","","","","0.994","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150535","18.0006","0.0006","10.8282","0.0003","25.595","0.0009","90","","98.184","0.002","90","","4938","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N5 O4 P S -","- C12 H20 N5 O4 P S -","- C144 H240 N60 O48 P12 S12 -","12","3","","Breen, David; Kennedy, Alan R.; Suckling, Colin J.","A divergent synthesis of minor groove binders with tail group variation","Organic & Biomolecular Chemistry","2009","7","1","178","186","10.1039/b814452d","","","0.71073","MoKα","","0.1381","0.0904","","","0.173","0.2004","","","","","","1.085","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150536","11.422","0.000001","8.778999","0.000001","15.357","0.000001","90","","107.527","0.000003","90","","1468.41","0.0002","120","","120","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C34 H35 Fe N O6 -","- C34 H35 Fe N O6 -","- C68 H70 Fe2 N2 O12 -","2","1","","Alonso, Francisco; Davies, Stephen G.; Elend, Almut S.; Leech, Michael A.; Roberts, Paul M.; Smith, Andrew D.; Thomson, James E.","Stereoselective functionalisation of cis- and trans-2-ferrocenyl-3-pivaloyl-4-alkyl-1,3-oxazolidin-5-ones: asymmetric synthesis of (R)- and (S)-2-alkyl-2-aminopent-4-enoic acids and (2R,3S)-2-amino-2-methyl-3-hydroxy-3-phenylpropanoic acid","Organic & Biomolecular Chemistry","2009","7","3","527","536","10.1039/b814453b","","","0.71073","MoKα","","0.0394","0.0373","","0.0374","0.0372","0.0372","","","","","","1.1712","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150537","9.462","0.001","10.432","0.001","11.673","0.001","73.144","0.003","85.38","0.003","65.358","0.003","1001.21","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H29 Fe N O3 -","- C23 H29 Fe N O3 -","- C46 H58 Fe2 N2 O6 -","2","1","","Alonso, Francisco; Davies, Stephen G.; Elend, Almut S.; Leech, Michael A.; Roberts, Paul M.; Smith, Andrew D.; Thomson, James E.","Stereoselective functionalisation of cis- and trans-2-ferrocenyl-3-pivaloyl-4-alkyl-1,3-oxazolidin-5-ones: asymmetric synthesis of (R)- and (S)-2-alkyl-2-aminopent-4-enoic acids and (2R,3S)-2-amino-2-methyl-3-hydroxy-3-phenylpropanoic acid","Organic & Biomolecular Chemistry","2009","7","3","527","536","10.1039/b814453b","","","0.71073","MoKα","","0.086","0.0488","","0.0513","0.0463","0.0463","","","","","","1.1009","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150538","4.7172","0.0006","14.805","0.002","19.787","0.003","90","","93.81","0.004","90","","1378.8","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 O8 -","- C34 H28 O8 -","- C68 H56 O16 -","2","0.5","","Vautravers, Nicolas R.; André, Pascal; Slawin, A. M. Z.; Cole-Hamilton, David J.","Synthesis and characterization of photoluminescent vinylbiphenyl decorated polyhedral oligomeric silsesquioxanes","Organic & Biomolecular Chemistry","2009","7","4","717","724","10.1039/b814496f","","","0.71073","MoKα","","0.0499","0.0432","","","0.1124","0.1201","","","","","","1.051","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150539","8.851","0.0002","9.8816","0.0003","18.2164","0.0007","92.1632","0.0014","96.4141","0.0015","116.416","0.002","1411.1","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","E-2-(2-(Dimethylamino)biphen-2-yl)-1-nitroethene","E-2-(2-(Dimethylamino)biphen-2-yl)-1-nitroethene","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","2","","O'Leary, Jane; Wallis, John D.","Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case","Organic & Biomolecular Chemistry","2009","7","2","225","228","10.1039/b814615b","","","0.71073","MoKα","","0.1387","0.0787","","","0.2126","0.2342","","","","","","1.032","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150540","8.2446","0.0002","17.2928","0.0004","11.6833","0.0002","90","","107.177","0.0017","90","","1591.42","0.06","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Methyl E-2-cyano-3-(2-(Dimethylamino)biphen-2-yl)propenoate","Methyl E-2-cyano-3-(2-(Dimethylamino)biphen-2-yl)propenoate","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","O'Leary, Jane; Wallis, John D.","Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case","Organic & Biomolecular Chemistry","2009","7","2","225","228","10.1039/b814615b","","","0.71073","MoKα","","0.0603","0.0434","","","0.107","0.1142","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150541","11.4599","0.0004","8.2053","0.0003","14.7752","0.0007","90","","92.142","0.001","90","","1388.37","0.1","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","5-(1,2-Dihydro-1,1-dimethylbenzo(c)quinolinium-2-yl) - dicyanomethide","5-(1,2-Dihydro-1,1-dimethylbenzo(c)quinolinium-2-yl) -dicyanomethide","","- C18 H15 N3 -","- C18 H15 N3 -","- C72 H60 N12 -","4","2","","O'Leary, Jane; Wallis, John D.","Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case","Organic & Biomolecular Chemistry","2009","7","2","225","228","10.1039/b814615b","","","0.71073","MoKα","","0.0615","0.0465","","","0.1059","0.112","","","","","","0.989","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150542","9.3343","0.0002","10.2514","0.0002","11.3449","0.0002","114.442","0.0008","91.7559","0.0008","105.049","0.0008","942.56","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2-(1',2'-Dihydo-1',1'-dimethylbenzo(c)-quinolinium-2'-yl)-5,5- dimethyl-1,3-dioxocyclohexan-2-ide","2-(1',2'-Dihydo-1',1'-dimethylbenzo(c)-quinolinium-2'-yl)- 5,5-dimethyl-1,3-dioxocyclohexan-2-ide","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C46 H54 N2 O6 -","2","1","","O'Leary, Jane; Wallis, John D.","Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case","Organic & Biomolecular Chemistry","2009","7","2","225","228","10.1039/b814615b","","","0.71073","MoKα","","0.059","0.0421","","","0.1036","0.1107","","","","","","1.047","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150543","8.3982","0.0015","8.7381","0.0016","17.245","0.003","83.601","0.005","87.923","0.004","62.354","0.004","1113.9","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 S3 -","- C28 H18 N2 S3 -","- C56 H36 N4 S6 -","2","1","","Franz, Adam W.; Popa, Larisa N.; Rominger, Frank; Müller, Thomas J. J.","First synthesis and electronic properties of diphenothiazine dumbbells bridged by heterocycles","Organic & Biomolecular Chemistry","2009","7","3","469","475","10.1039/b814850c","","","0.71073","MoKα","","0.1005","0.0706","","","0.1377","0.1497","","","","","","1.133","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150544","5.5615","0.0017","27.699","0.008","10.094","0.003","90","","105.644","0.006","90","","1497.4","0.8","293","","293","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C15 H20 O5 S -","- C15 H20 O5 S -","- C60 H80 O20 S4 -","4","2","","Sheldrake, Helen M.; Jamieson, Craig; Pascu, Sofia I.; Burton, Jonathan W.","Synthesis of the originally proposed structures of elatenyne and an enyne from Laurencia majuscula","Organic & Biomolecular Chemistry","2009","7","2","238","252","10.1039/b814953d","","","0.71073","MoKα","","0.0772","0.0464","","0.0728","0.0493","0.0493","","","","","","1.1154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150545","5.5615","0.0017","27.699","0.008","10.094","0.003","90","","105.644","0.006","90","","1497.4","0.8","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 O5 S -","- C15 H20 O5 S -","- C60 H80 O20 S4 -","4","2","","Sheldrake, Helen M.; Jamieson, Craig; Pascu, Sofia I.; Burton, Jonathan W.","Synthesis of the originally proposed structures of elatenyne and an enyne from Laurencia majuscula","Organic & Biomolecular Chemistry","2009","7","2","238","252","10.1039/b814953d","","","0.6898","synchrotron","","0.0763","0.0528","","0.1238","0.1102","0.1238","","","","","","1.0051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150546","6.8047","0.0002","11.9451","0.0007","12.7864","0.0009","111.921","0.006","94.992","0.005","92.605","0.004","957.09","0.1","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C44 H38 N2 O8 S2 -","2","1","","Kaiser, Jasper; van Esseveldt, Bart C. J.; Segers, Margot J. A.; van Delft, Floris L.; Smits, Jan M. M.; Butterworth, Sam; Rutjes, Floris P. J. T.","Synthesis and aromatisation of cyclic enediyne-containing amino acids","Organic & Biomolecular Chemistry","2009","7","4","695","705","10.1039/b815176h","","","0.71073","MoKα","","0.0494","0.0373","","0.0995","0.0935","0.0995","","","1.038","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150547","8.6566","0.0007","12.0779","0.0008","35.5","0.003","90","","90","","90","","3711.7","0.5","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C160 H168 N8 O32 S8 -","8","1","","Kaiser, Jasper; van Esseveldt, Bart C. J.; Segers, Margot J. A.; van Delft, Floris L.; Smits, Jan M. M.; Butterworth, Sam; Rutjes, Floris P. J. T.","Synthesis and aromatisation of cyclic enediyne-containing amino acids","Organic & Biomolecular Chemistry","2009","7","4","695","705","10.1039/b815176h","","","0.71073","MoKα","","0.1146","0.0763","","0.1452","0.1329","0.1452","","","1.224","","","1.224","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150548","8.4021","0.0005","11.957","0.0009","12.0405","0.0008","69.128","0.006","70.351","0.005","84.942","0.005","1063.75","0.14","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N O4 S -","- C24 H23 N O4 S -","- C48 H46 N2 O8 S2 -","2","1","","Kaiser, Jasper; van Esseveldt, Bart C. J.; Segers, Margot J. A.; van Delft, Floris L.; Smits, Jan M. M.; Butterworth, Sam; Rutjes, Floris P. J. T.","Synthesis and aromatisation of cyclic enediyne-containing amino acids","Organic & Biomolecular Chemistry","2009","7","4","695","705","10.1039/b815176h","","","0.71073","MoKα","","0.0486","0.0364","","0.0967","0.0888","0.0967","","","1.083","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150549","8.1942","0.0012","9.732","0.0007","13.0079","0.0013","90","","104.996","0.009","90","","1002","0.2","208","2","208","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O4 S -","- C23 H21 N O4 S -","- C46 H42 N2 O8 S2 -","2","1","","Kaiser, Jasper; van Esseveldt, Bart C. J.; Segers, Margot J. A.; van Delft, Floris L.; Smits, Jan M. M.; Butterworth, Sam; Rutjes, Floris P. J. T.","Synthesis and aromatisation of cyclic enediyne-containing amino acids","Organic & Biomolecular Chemistry","2009","7","4","695","705","10.1039/b815176h","","","0.71073","MoKα","","0.0867","0.0523","","0.0833","0.0752","0.0833","","","1.08","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150550","8.3607","0.0011","9.2365","0.0013","10.0371","0.0014","65.628","0.002","77.548","0.002","75.07","0.002","676.91","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C32 H42 N2 O6 -","2","1","","King, Frank D.; Aliev, Abil E.; Caddick, Stephen; Tocher, Derek A.; Courtier-Murias, Denis","A facile synthesis of pyrrolo-(di)-benzazocinones via an intramolecular N-acyliminium ion cyclisation","Organic & Biomolecular Chemistry","2009","7","1","167","177","10.1039/b815195d","","","0.71073","MoKα","","0.052","0.0494","","","0.1463","0.1496","","","","","","0.986","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150551","7.6569","0.0008","9.6582","0.0011","20.404","0.002","90","","90.423","0.002","90","","1508.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","King, Frank D.; Aliev, Abil E.; Caddick, Stephen; Tocher, Derek A.; Courtier-Murias, Denis","A facile synthesis of pyrrolo-(di)-benzazocinones via an intramolecular N-acyliminium ion cyclisation","Organic & Biomolecular Chemistry","2009","7","1","167","177","10.1039/b815195d","","","0.71073","MoKα","","0.0473","0.044","","","0.1201","0.1231","","","","","","1.041","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150552","9.3106","0.0008","10.415","0.0009","16.0747","0.0014","75.949","0.001","88.805","0.001","63.586","0.001","1347.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","2","","King, Frank D.; Aliev, Abil E.; Caddick, Stephen; Tocher, Derek A.; Courtier-Murias, Denis","A facile synthesis of pyrrolo-(di)-benzazocinones via an intramolecular N-acyliminium ion cyclisation","Organic & Biomolecular Chemistry","2009","7","1","167","177","10.1039/b815195d","","","0.71073","MoKα","","0.0583","0.052","","","0.1554","0.1641","","","","","","1.079","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150553","4.5625","0.0006","10.2315","0.0019","11.4327","0.0017","107.479","0.005","100.889","0.008","101.507","0.005","480.82","0.13","113.2","","113.2","","","","","","","","","4","P -1","-P 1","2","9b","","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C18 H20 N8 O4 -","2","1","","Nakaike, Yumi; Hayashi, Daisuke; Nishiwaki, Nagatoshi; Tobe, Yoshito; Ariga, Masahiro","Formylnitroenamines: useful building blocks for nitrated pyridones and aminopyridines with functional groups","Organic & Biomolecular Chemistry","2009","7","2","325","334","10.1039/b815306j","","","0.71075","MoKα","","0.0416","0.0356","","","0.1054","0.1097","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150554","8.4625","0.0016","8.0276","0.0016","21.142","0.004","90","","90.378","0.005","90","","1436.2","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 F O2 -","- C7 H9 F O2 -","- C56 H72 F8 O16 -","8","1","","Caravano, Audrey; Field, Robert A; Percy, Jonathan M; Rinaudo, Giuseppe; Roig, Ricard; Singh, Kuldip","Developing an asymmetric, stereodivergent route to selected 6-deoxy-6-fluoro-hexoses.","Organic & biomolecular chemistry","2009","7","5","996","1008","10.1039/b815342f","","","0.71073","MoKα","","0.0535","0.0455","","","0.1063","0.1101","","","","","","1.151","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150555","8.995","0.002","10.147","0.002","11.016","0.003","107.1","0.004","95.726","0.004","110.042","0.003","880","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","3-Iodo-6-methoxy-4-(p-methoxyphenyl)-2-trifluoromethyl)quinoline","","- C18 H13 F3 I N O2 -","- C18 H13 F3 I N O2 -","- C36 H26 F6 I2 N2 O4 -","2","1","","Likhar, Pravin R.; Subhas, Madavu Salian; Roy, Sarabindu; Kantam, Mannepalli Lakshmi; Sridhar, Balasubramanian; Seth, Ratanesh Kumar; Biswas, Sukla","Synthesis of highly substituted 2-perfluoroalkyl quinolines by electrophilic iodocyclization of perfluoroalkyl propargyl imines/amines","Organic & Biomolecular Chemistry","2009","7","1","85","93","10.1039/b815398a","","x-ray","0.71073","MoKα","","0.0275","0.0246","","","0.0652","0.0672","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150556","5.5479","0.0006","18.474","0.0019","14.5807","0.0015","90","","99.871","0.002","90","","1472.3","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Iodo-4-phenyl-2-trifluoromethyl-1-aza-spiro[4.5]deca-1,3,6,9-tetraen-8-one","","- C16 H9 F3 I N O -","- C16 H9 F3 I N O -","- C64 H36 F12 I4 N4 O4 -","4","1","","Likhar, Pravin R.; Subhas, Madavu Salian; Roy, Sarabindu; Kantam, Mannepalli Lakshmi; Sridhar, Balasubramanian; Seth, Ratanesh Kumar; Biswas, Sukla","Synthesis of highly substituted 2-perfluoroalkyl quinolines by electrophilic iodocyclization of perfluoroalkyl propargyl imines/amines","Organic & Biomolecular Chemistry","2009","7","1","85","93","10.1039/b815398a","","x-ray","0.71073","MoKα","","0.0223","0.0218","","","0.0549","0.0552","","","","","","1.167","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150557","26.471","0.003","12.5614","0.0007","16.7632","0.0014","90","","128.674","0.009","90","","4351.7","0.9","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H53 Cl7 N2 O4 -","- C37 H53 Cl7 N2 O4 -","- C148 H212 Cl28 N8 O16 -","4","0.5","","Winkelmann, Ole; Näther, Christian; Lüning, Ulrich","Organocatalysis by bimacrocyclic NHCs: unexpected formation of a cyclic hemiacetal instead of a γ-butyrolactone","Organic & Biomolecular Chemistry","2009","7","3","553","556","10.1039/b815828b","","","0.71073","MoKα","","0.1122","0.0628","","","0.1606","0.187","","","","","","1.016","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150558","14.422","0.0012","25.714","0.003","7.9543","0.001","90","","90","","90","","2949.8","0.6","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H17 N O S -","- C17 H17 N O S -","- C136 H136 N8 O8 S8 -","8","1","","Tu, Shu-Jiang; Cao, Xu-Dong; Hao, Wen-Juan; Zhang, Xiao-Hong; Yan, Shu; Wu, Shan-Shan; Han, Zheng-Guo; Shi, Feng","An efficient and chemoselective synthesis of benzo[e][1,4]thiazepin-2(1H,3H,5H)-ones via a microwave-assisted multi-component reaction in water","Organic & Biomolecular Chemistry","2009","7","3","557","563","10.1039/b815879g","","","0.71073","MoKα","","0.1096","0.0578","","","0.1029","0.1286","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150559","8.6191","0.0003","9.4722","0.0004","10.8125","0.0005","87.925","0.002","80.702","0.002","70.015","0.002","818.52","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 N2 O3 S2 -","- C38 H42 N2 O3 S2 -","- C38 H42 N2 O3 S2 -","1","0.5","","Gu, Rong; Van Snick, Sven; Robeyns, Koen; Van Meervelt, Luc; Dehaen, Wim","A facile and general method for the synthesis of 6,12-diaryl-5,11-dihydroindolo[3,2-b]carbazoles","Organic & Biomolecular Chemistry","2009","7","2","380","385","10.1039/b815908d","","","1.54178","CuKα","","0.052","0.0485","","","0.1317","0.1356","","","","","","1.092","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150560","13.9005","0.0015","14.0323","0.0011","26.137","0.002","75.665","0.004","81.887","0.004","74.949","0.005","4753.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Bis(m-phenylene)-32-crown-10-Based Cryptand/Paraquat (2)Catenane","Bis(m-phenylene)-32-crown-10-Based Cryptand/Paraquat [2]Catenane","","- C82 H102.925 F24 I0.075 N9 O16 P4 -","- C82 H102.92 F24 I0.08 N9 O16 P4 -","- C164 H205.84 F48 I0.16 N18 O32 P8 -","2","1","","Liu, Ming; Li, Shijun; Zhang, Mingming; Zhou, Qizhong; Wang, Feng; Hu, Menglong; Fronczek, Frank R.; Li, Ning; Huang, Feihe","Three-dimensional bis(m-phenylene)-32-crown-10-based cryptand/paraquat catenanes","Organic & Biomolecular Chemistry","2009","7","7","1288","1291","10.1039/B815929G","","","0.71073","MoKα","","0.1168","0.0927","","","0.25","0.27","","","","","","1.035","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150561","20.196","0.004","14.757","0.003","28.726","0.006","90","","92.64","0.03","90","","8552","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(m-phenylene)-32-crown-10-Based Cryptand/Paraquat (3)Catenane","Bis(m-phenylene)-32-crown-10-Based Cryptand/Paraquat [3]Catenane","","- C70 H99 F12 N7 O20 P2 -","- C70 H91 F12 N7 O16 P2 -","- C280 H364 F48 N28 O64 P8 -","4","1","","Liu, Ming; Li, Shijun; Zhang, Mingming; Zhou, Qizhong; Wang, Feng; Hu, Menglong; Fronczek, Frank R.; Li, Ning; Huang, Feihe","Three-dimensional bis(m-phenylene)-32-crown-10-based cryptand/paraquat catenanes","Organic & Biomolecular Chemistry","2009","7","7","1288","1291","10.1039/B815929G","","","0.71073","MoKα","","0.074","0.0537","","","0.1413","0.1528","","","","","","1.047","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150562","10.2117","0.0011","13.3903","0.0014","17.8587","0.0019","90","","104.642","0.002","90","","2362.7","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 N O3 S -","- C25 H35 N O3 S -","- C100 H140 N4 O12 S4 -","4","1","","Huang, Jianhui; Moore, Stephen P.; O'Brien, Peter; Whitwood, Adrian C.; Gilday, John","Lithiation-electrophilic trapping of N-sulfonyl-activated ethylene aziridines","Organic & Biomolecular Chemistry","2009","7","2","335","345","10.1039/b815957b","","","0.71073","MoKα","","0.0496","0.0408","","","0.0993","0.1039","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150563","9.7183","0.0005","19.6987","0.0009","15.3953","0.0007","90","","95.697","0.001","90","","2932.7","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 N2 O6 S -","- C29 H40 N2 O6 S -","- C116 H160 N8 O24 S4 -","4","1","","Huang, Jianhui; Moore, Stephen P.; O'Brien, Peter; Whitwood, Adrian C.; Gilday, John","Lithiation-electrophilic trapping of N-sulfonyl-activated ethylene aziridines","Organic & Biomolecular Chemistry","2009","7","2","335","345","10.1039/b815957b","","","0.71073","MoKα","","0.0541","0.042","","","0.1034","0.1099","","","","","","1.028","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150564","9.0438","0.0004","14.174","0.0007","19.0124","0.0011","90","","90","","90","","2437.1","0.2","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C104 H96 N8 O8 -","4","1","","Libendi, Samuel Shikuku; Demizu, Yosuke; Onomura, Osamu","Direct electrochemical α-cyanation of N-protected cyclic amines","Organic & Biomolecular Chemistry","2009","7","2","351","356","10.1039/b816598j","","","0.7107","MoKα","","","0.0731","","","","0.1818","","","","","","0.975","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150565","6.655","0.001","21.318","0.0011","17.247","0.002","90","","91.568","0.011","90","","2445.9","0.5","198","2","198","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H44 O2 -","- C27 H44 O2 -","- C108 H176 O8 -","4","2","","Martin, René; Schmidt, Arndt W.; Theumer, Gabriele; Krause, Tilo; Entchev, Eugeni V.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Synthesis and biological activity of the (25R)-cholesten-26-oic acids—ligands for the hormonal receptor DAF-12 in Caenorhabditis elegans","Organic & Biomolecular Chemistry","2009","7","5","909","920","10.1039/b817358c","","","0.71073","MoKα","","0.0725","0.049","","","0.1236","0.1401","","","","","","1.055","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150566","32.7713","0.0006","8.3741","0.0002","18.3244","0.0003","90","","104.915","0.001","90","","4859.34","0.17","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 O2 P S Si -","- C25 H29 O2 P S Si -","- C200 H232 O16 P8 S8 Si8 -","8","1","","Clarke, Celia; Fox, David J.; Pedersen, Daniel Sejer; Warren, Stuart","The lithiation and acyl transfer reactions of phosphine oxides, sulfides and boranes in the synthesis of cyclopropanes","Organic & Biomolecular Chemistry","2009","7","7","1329","1336","10.1039/b817436a","","","0.71073","MoKα","","0.0481","0.0368","","","0.0892","0.0958","","","","","","1.017","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150567","12.819","0.004","8.441","0.003","13.31","0.004","90","","95.462","0.005","90","","1433.7","0.8","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N4 -","- C16 H20 N4 -","- C64 H80 N16 -","4","1","","Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng","New domino reaction for the selective synthesis of tetracyclic cinnolino[5,4,3-cde]cinnolines","Organic & Biomolecular Chemistry","2009","7","6","1171","1175","10.1039/b817930a","","","0.71073","MoKα","","0.1079","0.0521","","","0.1342","0.1785","","","","","","1.044","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150568","9.698","0.005","5.875","0.003","10.023","0.005","90","","117.314","0.006","90","","507.4","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,6,7,8-hexahydro-cinnolino[5,4,3-cde]cinnoline","","- C12 H12 N4 -","- C12 H12 N4 -","- C24 H24 N8 -","2","0.5","","Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng","New domino reaction for the selective synthesis of tetracyclic cinnolino[5,4,3-cde]cinnolines","Organic & Biomolecular Chemistry","2009","7","6","1171","1175","10.1039/b817930a","","","0.71073","MoKα","","0.0712","0.041","","","0.1007","0.1231","","","","","","1.013","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150569","15.5665","0.0004","23.5385","0.0005","33.1929","0.0009","90","","90","","90","","12162.3","0.5","100.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H91.249 O43.6245 -","- C45 H49 O43.6245 -","- C360 H392 O348.996 -","8","2","","Osaki, Motofumi; Takashima, Yoshinori; Yamaguchi, Hiroyasu; Harada, Akira","Switching of polymerization activity of cinnamoyl-α-cyclodextrin","Organic & Biomolecular Chemistry","2009","7","8","1646","1651","10.1039/b818241h","","","1.54187","CuKα","","","0.0698","","","","0.2154","","","","","","1.134","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150570","11.5712","0.0002","13.9737","0.0002","17.038","0.0002","90","","90","","90","","2754.92","0.07","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 N O4 -","- C29 H39 N O4 -","- C116 H156 N4 O16 -","4","1","","Davies, Stephen G.; Durbin, Matthew J.; Goddard, Euan C.; Kelly, Peter M.; Kurosawa, Wataru; Lee, James A.; Nicholson, Rebecca L.; Price, Paul D.; Roberts, Paul M.; Russell, Angela J.; Scott, Philip M.; Smith, Andrew D.","Doubly diastereoselective conjugate addition of homochiral lithium amides to homochiral α,β-unsaturated esters containing cis- and trans-dioxolane units","Organic & Biomolecular Chemistry","2009","7","4","761","776","10.1039/B818298a","","","0.71073","MoKα","","0.0408","0.0321","","0.0465","0.0396","0.0396","","","","","","1.0881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150571","7.1471","0.0003","10.1809","0.0004","12.3149","0.0005","81.282","0.003","77.534","0.002","81.436","0.003","858.56","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.8 H19.2 N4 O4.8 -","- C16.8 H19.2 N4 O4.8 -","- C33.6 H38.4 N8 O9.6 -","2","1","","Gibson, Colin L.; Huggan, Judith K.; Kennedy, Alan; Kiefer, Lionel; Lee, Jeong Hwan; Suckling, Colin J.; Clements, Carol; Harvey, Alan L.; Hunter, William N.; Tulloch, Lindsay B.","Diversity oriented syntheses of fused pyrimidines designed as potential antifolates","Organic & Biomolecular Chemistry","2009","7","9","1829","1842","10.1039/b818339b","","","0.71073","MoKα","","0.0875","0.0528","","","0.1268","0.1447","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150572","22.8916","0.0012","22.8916","0.0012","5.224","0.004","90","","90","","90","","2738","2","208","2","208","2","","","","","","","","4","P 42/n :2","-P 4bc","86","AD11","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C112 H144 N16 O32 -","8","1","","Díaz-Rodríguez, Alba; Sanghvi, Yogesh S.; Fernández, Susana; Schinazi, Raymond F.; Theodorakis, Emmanuel A.; Ferrero, Miguel; Gotor, Vicente","Synthesis and anti-HIV activity of conformationally restricted bicyclic hexahydroisobenzofuran nucleoside analogs","Organic & Biomolecular Chemistry","2009","7","7","1415","1423","10.1039/b818707j","","","0.71073","MoKα","","0.0739","0.0675","","","0.12","0.1223","","","","","","1.346","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150573","6.5457","0.0009","12.2932","0.0015","30.973","0.004","90","","90","","90","","2492.3","0.6","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C120 H128 O32 -","8","2","","Li, Yi; Nawrat, Christopher C.; Pattenden, Gerald; Winne, Johan M.","A concise total synthesis of (±)-anthecularin","Organic & Biomolecular Chemistry","2009","7","4","639","640","10.1039/b819454h","","","0.71073","MoKα","","0.091","0.0809","","","0.1401","0.1433","","","","","","1.293","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150574","5.8108","0.0008","10.4031","0.0015","10.8646","0.0015","68.858","0.003","87.535","0.003","79.418","0.003","601.95","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H19 N -","- C15 H19 N -","- C30 H38 N2 -","2","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.0461","0.037","","","0.0885","0.0934","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150575","29.078","0.007","4.8656","0.0012","22.535","0.005","90","","96.268","0.005","90","","3169.2","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Br N O -","- C16 H24 Br N O -","- C128 H192 Br8 N8 O8 -","8","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.0296","0.0255","","","0.0626","0.0645","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150576","26.387","0.005","6.8937","0.0012","19.161","0.003","90","","122.455","0.003","90","","2941.1","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 Br Cl N -","- C15 H21 Br Cl N -","- C120 H168 Br8 Cl8 N8 -","8","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.0297","0.0267","","","0.0686","0.07","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150577","6.237","0.002","12.419","0.004","17.923","0.006","90","","90","","90","","1388.3","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C60 H84 N4 O8 S4 -","4","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.064","0.0554","","","0.1326","0.1371","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150578","7.3608","0.0007","12.176","0.0011","15.1409","0.0014","103.092","0.002","93.82","0.002","100.303","0.002","1292.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H14 O2 -","- C9 H14 O2 -","- C54 H84 O12 -","6","3","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.0431","0.0353","","","0.081","0.085","","","","","","1.043","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150579","10.3845","0.0009","14.8703","0.0013","10.5114","0.0009","90","","107.902","0.002","90","","1544.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cl N O -","- C16 H24 Cl N O -","- C64 H96 Cl4 N4 O4 -","4","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.0533","0.0501","","","0.1499","0.154","","","","","","1.102","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150580","16.115","0.002","10.4898","0.0013","10.9685","0.0014","90","","121.095","0.003","90","","1587.7","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 Cl N -","- C17 H24 Cl N -","- C68 H96 Cl4 N4 -","4","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.0517","0.0432","","","0.1006","0.1045","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150581","11.2099","0.0005","15.8759","0.0006","35.534","0.0015","90","","90","","90","","6323.9","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H89 I N2 O8 -","- C65 H89 I N2 O8 -","- C260 H356 I4 N8 O32 -","4","1","","Podoprygorina, Ganna; Bolte, Michael; Böhmer, Volker","Tetra-urea calix[4]arenes 1,3-bridged at the narrow rim","Organic & Biomolecular Chemistry","2009","7","8","1592","1598","10.1039/B819710e","","","0.71073","MoKα","","0.0411","0.0387","","","0.1059","0.1082","","","","","","1.012","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150582","13.2687","0.0005","13.5843","0.0004","31.5174","0.0012","90","","94.788","0.003","90","","5661.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H65 I N6 O17 -","- C56 H65 I N6 O17 -","- C224 H260 I4 N24 O68 -","4","1","","Podoprygorina, Ganna; Bolte, Michael; Böhmer, Volker","Tetra-urea calix[4]arenes 1,3-bridged at the narrow rim","Organic & Biomolecular Chemistry","2009","7","8","1592","1598","10.1039/B819710e","","","0.71073","MoKα","","0.0429","0.0352","","","0.0918","0.0952","","","","","","1.045","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150583","42.923","0.001","18.262","0.001","29.806","0.001","90","","129.106","0.01","90","","18130","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100.25 H94.25 Cl9.75 N7 Zn -","- C100.25 H94.25 Cl9.75 N7 Zn -","- C802 H754 Cl78 N56 Zn8 -","8","1","","Sooambar, Chloè; Troiani, Vincent; Bruno, Carlo; Marcaccio, Massimo; Paolucci, Francesco; Listorti, Andrea; Belbakra, Abdelhalim; Armaroli, Nicola; Magistrato, Alessandra; De Zorzi, Rita; Geremia, Silvano; Bonifazi, Davide","Synthesis, photophysical, electrochemical, and electrochemiluminescent properties of 5,15-bis(9-anthracenyl)porphyrin derivatives","Organic & Biomolecular Chemistry","2009","7","11","2402","2413","10.1039/b820210a","","","1","synchrotron","","0.0853","0.0776","","","0.2111","0.2219","","","","","","1.029","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150584","9.0583","0.0004","15.2181","0.0007","15.4705","0.0005","114.522","0.002","106.688","0.002","91.036","0.003","1835.34","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H78 Cl10 N4 Zn -","- C81 H78 Cl10 N4 Zn -","- C81 H78 Cl10 N4 Zn -","1","0.5","","Sooambar, Chloè; Troiani, Vincent; Bruno, Carlo; Marcaccio, Massimo; Paolucci, Francesco; Listorti, Andrea; Belbakra, Abdelhalim; Armaroli, Nicola; Magistrato, Alessandra; De Zorzi, Rita; Geremia, Silvano; Bonifazi, Davide","Synthesis, photophysical, electrochemical, and electrochemiluminescent properties of 5,15-bis(9-anthracenyl)porphyrin derivatives","Organic & Biomolecular Chemistry","2009","7","11","2402","2413","10.1039/b820210a","","","1.54184","CuKα","","0.0782","0.0641","","","0.1839","0.1943","","","","","","1.075","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150585","8.584","0.0002","12.9688","0.0003","10.3119","0.0002","90","","100.852","0.001","90","","1127.43","0.04","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 I N2 O -","- C9 H13 I N2 O -","- C36 H52 I4 N8 O4 -","4","1","","Plater, M. John; Barnes, Paul; McDonald, Lauren K.; Wallace, Sandy; Archer, Nia; Gelbrich, Thomas; Horton, Peter N.; Hursthouse, Michael B.","Hidden signatures: new reagents for developing latent fingerprints","Organic & Biomolecular Chemistry","2009","7","8","1633","1641","10.1039/b820257e","","","0.71073","MoKα","","0.0206","0.0189","","","0.0422","0.043","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150586","7.9338","0.0002","14.4447","0.0005","11.0343","0.0003","90","","103.597","0.002","90","","1229.1","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 I N O2 -","- C12 H14 I N O2 -","- C48 H56 I4 N4 O8 -","4","1","","Plater, M. John; Barnes, Paul; McDonald, Lauren K.; Wallace, Sandy; Archer, Nia; Gelbrich, Thomas; Horton, Peter N.; Hursthouse, Michael B.","Hidden signatures: new reagents for developing latent fingerprints","Organic & Biomolecular Chemistry","2009","7","8","1633","1641","10.1039/b820257e","","","0.71073","MoKα","","0.0242","0.0237","","","0.0569","0.0573","","","","","","1.022","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150587","8.2775","0.0012","15.616","0.002","12.3892","0.0018","90","","98.896","0.003","90","","1582.2","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Ko, Young Ok; Chun, Yu Sung; Park, Cho-Long; Kim, Youngmee; Shin, Hyunik; Ahn, Sungho; Hong, Jongki; Lee, Sang-gi","An effective and general method for the highly regioselective synthesis of 1-phenylpyrazoles from β-enaminoketoesters, tandem Blaise‒acylation adducts","Organic & Biomolecular Chemistry","2009","7","6","1132","1136","10.1039/b820324e","","","0.71073","MoKα","","0.0793","0.0421","","","0.0862","0.0943","","","","","","0.885","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150588","10.468","0.008","15.676","0.012","10.469","0.008","90","","103.79","","90","","1668","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Ko, Young Ok; Chun, Yu Sung; Park, Cho-Long; Kim, Youngmee; Shin, Hyunik; Ahn, Sungho; Hong, Jongki; Lee, Sang-gi","An effective and general method for the highly regioselective synthesis of 1-phenylpyrazoles from β-enaminoketoesters, tandem Blaise‒acylation adducts","Organic & Biomolecular Chemistry","2009","7","6","1132","1136","10.1039/b820324e","","","0.71073","MoKα","","0.1489","0.0587","","","0.1324","0.1464","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150589","12.182","0.002","19.321","0.004","9.0766","0.0017","90","","98.535","0.004","90","","2112.7","0.7","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 F3 N2 O2 -","- C25 H19 F3 N2 O2 -","- C100 H76 F12 N8 O8 -","4","1","","Ko, Young Ok; Chun, Yu Sung; Park, Cho-Long; Kim, Youngmee; Shin, Hyunik; Ahn, Sungho; Hong, Jongki; Lee, Sang-gi","An effective and general method for the highly regioselective synthesis of 1-phenylpyrazoles from β-enaminoketoesters, tandem Blaise‒acylation adducts","Organic & Biomolecular Chemistry","2009","7","6","1132","1136","10.1039/b820324e","","","0.71073","MoKα","","0.0749","0.0341","","","0.0551","0.0586","","","","","","0.676","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150590","9.801","0.002","9.982","0.002","12.377","0.003","78.875","0.005","88.801","0.005","64.005","0.004","1065.1","0.4","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 F3 N2 O2 -","- C25 H19 F3 N2 O2 -","- C50 H38 F6 N4 O4 -","2","1","","Ko, Young Ok; Chun, Yu Sung; Park, Cho-Long; Kim, Youngmee; Shin, Hyunik; Ahn, Sungho; Hong, Jongki; Lee, Sang-gi","An effective and general method for the highly regioselective synthesis of 1-phenylpyrazoles from β-enaminoketoesters, tandem Blaise‒acylation adducts","Organic & Biomolecular Chemistry","2009","7","6","1132","1136","10.1039/b820324e","","","0.71073","MoKα","","0.2089","0.0684","","","0.1151","0.1613","","","","","","0.714","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150591","10.2157","0.0003","11.9363","0.0005","12.9452","0.0005","66.5184","0.0017","89.148","0.002","86.525","0.002","1445.05","0.09","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 N4 O2 -","- C38 H32 N4 O2 -","- C76 H64 N8 O4 -","2","1","","Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures","Organic & Biomolecular Chemistry","2009","7","11","2347","2352","10.1039/b820502g","","","0.71073","MoKα","","0.112","0.0615","","","0.1318","0.1543","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150592","21.4622","0.0003","7.4031","0.0001","23.7326","0.0003","90","","94.2256","0.0009","90","","3760.55","0.09","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H46 N4 O3 -","- C45 H46 N4 O3 -","- C180 H184 N16 O12 -","4","1","","Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures","Organic & Biomolecular Chemistry","2009","7","11","2347","2352","10.1039/b820502g","","","0.71073","MoKα","","0.1144","0.077","","","0.1898","0.2173","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150593","12.7522","0.0002","22.9038","0.0004","10.1324","0.0002","90","","106.799","0.001","90","","2833.11","0.09","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cl2 N4 O2 -","- C34 H32 Cl2 N4 O2 -","- C136 H128 Cl8 N16 O8 -","4","1","","Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures","Organic & Biomolecular Chemistry","2009","7","11","2347","2352","10.1039/b820502g","","","0.71073","MoKα","","0.108","0.0703","","","0.1954","0.2237","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150594","20.2497","0.0002","14.7082","0.0002","24.943","0.0004","90","","90","","90","","7428.94","0.17","160","1","160","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H42 Cl4 N4 O2 -","- C39 H42 Cl4 N4 O2 -","- C312 H336 Cl32 N32 O16 -","8","1","","Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures","Organic & Biomolecular Chemistry","2009","7","11","2347","2352","10.1039/b820502g","","","0.71073","MoKα","","0.0806","0.0538","","","0.1312","0.1457","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150595","23.0441","0.0008","12.4981","0.0005","17.4616","0.0006","90","","98.296","0.003","90","","4976.4","0.3","160","1","160","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N4 O2 -","- C32 H28 N4 O2 -","- C256 H224 N32 O16 -","8","1","","Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures","Organic & Biomolecular Chemistry","2009","7","11","2347","2352","10.1039/b820502g","","","0.71073","MoKα","","0.0922","0.0575","","","0.1338","0.1522","","","","","","1.073","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150596","8.5899","0.0004","27.0079","0.0012","12.9677","0.0005","90","","104.886","0.003","90","","2907.5","0.2","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N4 O2 -","- C36 H36 N4 O2 -","- C144 H144 N16 O8 -","4","1","","Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures","Organic & Biomolecular Chemistry","2009","7","11","2347","2352","10.1039/b820502g","","","0.71073","MoKα","","0.1479","0.0933","","","0.2297","0.2685","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150597","7.595","0.0001","10.1858","0.0002","10.5743","0.0002","105.965","0.0011","105.306","0.0012","95.0213","0.0009","747.2","0.02","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 S2 -","- C18 H16 N2 S2 -","- C36 H32 N4 S4 -","2","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0757","0.0563","","","0.1402","0.1515","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150598","13.9453","0.0004","25.7283","0.0005","31.5668","0.0007","90","","90","","90","","11325.8","0.5","260","1","260","1","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C19 H17.5 N2.5 -","- C19.66 H16 N2 -","- C629.12 H512 N64 -","32","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0886","0.0559","","","0.1472","0.1748","","","","","","1.014","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150599","21.7712","0.0006","9.9895","0.0003","9.2316","0.0003","90","","104.664","0.0017","90","","1942.32","0.1","160","1","160","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0882","0.0609","","","0.1504","0.1688","","","","","","1.033","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150600","15.718","0.0007","13.3493","0.0006","23.9219","0.001","90","","92.478","0.002","90","","5014.7","0.4","160","1","160","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C24.5 H28 N4 O2.5 -","- C24 H26 N4 O2 -","- C192 H208 N32 O16 -","8","2","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.1478","0.0933","","","0.2436","0.2758","","","","","","1.053","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150601","14.6105","0.0004","18.4987","0.0004","11.5185","0.0003","90","","110.07","0.0014","90","","2924.12","0.13","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 Cl6 N2 O2 -","- C30 H22 Cl6 N2 O2 -","- C120 H88 Cl24 N8 O8 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.101","0.0598","","","0.1391","0.1608","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150602","7.4781","0.0001","22.6399","0.0003","23.883","0.0003","90","","97.0449","0.0007","90","","4012.95","0.09","160","1","160","1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26.25 H16.5 Cl0.5 N2 O2 -","- C26.25 H16.5 Cl0.5 N2 O2 -","- C210 H132 Cl4 N16 O16 -","8","4","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0753","0.0563","","","0.1289","0.138","","","","","","1.074","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150603","11.4681","0.0002","8.0005","0.0001","20.8185","0.0004","90","","94.4706","0.0011","90","","1904.3","0.05","160","1","160","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N6 -","- C24 H20 N6 -","- C96 H80 N24 -","4","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0794","0.0509","","","0.1166","0.133","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150604","9.5615","0.0002","9.9958","0.0003","12.942","0.0003","85.6212","0.0013","72.6708","0.0012","62.3017","0.0014","1042.65","0.05","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 Cl2 N2 -","- C28 H18 Cl2 N2 -","- C56 H36 Cl4 N4 -","2","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0861","0.0742","","","0.1924","0.2015","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150605","5.2259","0.0001","18.397","0.0005","7.1402","0.0002","90","","109.441","0.0015","90","","647.33","0.03","160","1","160","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H12 N2 S2 -","- C16 H12 N2 S2 -","- C32 H24 N4 S4 -","2","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0565","0.042","","","0.1019","0.1104","","","","","","1.054","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150606","21.423","0.0005","10.0153","0.0003","7.9227","0.0003","90","","90","","90","","1699.88","0.09","160","1","160","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H14 N4 -","- C24 H14 N4 -","- C96 H56 N16 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.1003","0.0698","","","0.1673","0.1879","","","","","","1.062","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150607","8.871","0.0002","10.0494","0.0002","21.2597","0.0005","90","","102.122","0.0015","90","","1853","0.07","160","1","160","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N2 S2 -","- C24 H16 N2 S2 -","- C96 H64 N8 S8 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0741","0.0552","","","0.1367","0.1484","","","","","","1.088","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150608","21.4777","0.0006","10.0334","0.0003","7.525","0.0003","90","","90","","90","","1621.6","0.09","160","1","160","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H12 N2 S2 -","- C22 H12 N2 S2 -","- C88 H48 N8 S8 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.07","0.0503","","","0.1249","0.1365","","","","","","1.039","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150609","15.6806","0.0012","10.8157","0.0009","15.0851","0.0013","90","","118.174","0.004","90","","2255.3","0.3","160","1","160","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C128 H96 N16 -","8","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.1119","0.0608","","","0.1491","0.1785","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150610","22.5128","0.0016","9.9474","0.0008","7.9414","0.0006","90","","103.717","0.005","90","","1727.7","0.2","160","1","160","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C104 H64 N8 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0965","0.0524","","","0.1195","0.1445","","","","","","1.047","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150611","8.3958","0.0002","9.9699","0.0002","19.6247","0.0005","90","","90","","90","","1642.69","0.07","160","1","160","1","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0497","0.0448","","","0.1095","0.1135","","","","","","1.161","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150612","9.9472","0.0002","13.2994","0.0002","11.5775","0.0002","90","","114.658","0.0008","90","","1391.95","0.04","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C72 H48 N8 O16 -","4","2","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0495","0.0434","","","0.1138","0.1187","","","","","","1.085","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150613","7.8327","0.0002","19.1058","0.0004","6.8699","0.0002","90","","105.77","0.0013","90","","989.39","0.04","160","1","160","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Br2 -","- C12 H6 Br2 -","- C48 H24 Br8 -","4","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0542","0.0402","","","0.0937","0.1004","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150614","8.3569","0.0005","9.9526","0.0006","21.8278","0.0009","90","","100.864","0.004","90","","1782.94","0.17","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O2 -","- C24 H16 N2 O2 -","- C96 H64 N8 O8 -","4","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.1263","0.0565","","","0.1336","0.1775","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150615","10.0678","0.0003","15.9325","0.0005","11.7652","0.0004","90","","111.406","0.002","90","","1757.02","0.1","173","","","","","","","","","","LOC ETH Zurich","3","P 1 21/c 1","-P 2ybc","14","(E)-2-(3-cyclohexyl-1-(4- (dimethylamino)phenyl)allylidene)malononitrile","(E)-2-(3-cyclohexyl-1-(4-(dimethylamino)phenyl)allylidene)malononitrile","","- C20 H23 N3 -","- C20 H23 N3 -","- C80 H92 N12 -","4","1","","Jarowski, Peter D.; Wu, Yi-Lin; Boudon, Corinne; Gisselbrecht, Jean-Paul; Gross, Maurice; Schweizer, W. Bernd; Diederich, François","New donor‒acceptor chromophores by formal [2+2] cycloaddition of donor-substituted alkynes to dicyanovinyl derivatives","Organic & Biomolecular Chemistry","2009","7","7","1312","1322","10.1039/b821230a","","","0.71073","MoKα","","0.0593","0.045","","","0.1319","0.1459","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150616","9.4778","0.0003","7.942","0.0003","24.0757","0.0009","90","","93.4125","0.0014","90","","1809.03","0.11","223","","","","","","","","","","LOC ETH Zurich","4","P 1 21/c 1","-P 2ybc","14","(E)-2-(3-(4-bromophenyl)-1-(4- (dimethylamino)phenyl)allylidene)malononitrile","(E)-2-(3-(4-bromophenyl)-1-(4-(dimethylamino)phenyl)allylidene)malononitrile","","- C20 H16 Br N3 -","- C20 H16 Br N3 -","- C80 H64 Br4 N12 -","4","1","","Jarowski, Peter D.; Wu, Yi-Lin; Boudon, Corinne; Gisselbrecht, Jean-Paul; Gross, Maurice; Schweizer, W. Bernd; Diederich, François","New donor‒acceptor chromophores by formal [2+2] cycloaddition of donor-substituted alkynes to dicyanovinyl derivatives","Organic & Biomolecular Chemistry","2009","7","7","1312","1322","10.1039/b821230a","","","0.71073","MoKα","","0.0744","0.0505","","","0.1464","0.1684","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150617","7.8176","0.0002","15.0473","0.0004","16.0532","0.0005","104.702","0.002","90.581","0.002","104.638","0.002","1761.71","0.09","203","","","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","2-(1-(4-(dimethylamino)phenyl)-3-(4- methoxyphenyl)allylidene)propanedinitrile","2-(1-(4-(dimethylamino)phenyl)-3-(4-methoxyphenyl)allylidene)propanedinitrile","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","2","","Jarowski, Peter D.; Wu, Yi-Lin; Boudon, Corinne; Gisselbrecht, Jean-Paul; Gross, Maurice; Schweizer, W. Bernd; Diederich, François","New donor‒acceptor chromophores by formal [2+2] cycloaddition of donor-substituted alkynes to dicyanovinyl derivatives","Organic & Biomolecular Chemistry","2009","7","7","1312","1322","10.1039/b821230a","","","0.71073","MoKα","","0.0624","0.0445","","","0.1259","0.1433","","","","","","0.988","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150618","10.739","0.0014","11.1934","0.0015","12.1609","0.0016","93.177","0.002","97.768","0.002","109.836","0.002","1354.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","2","","Reyes-Gutiérrez, Paul E.; Torres-Ochoa, Rubén O.; Martínez, Roberto; Miranda, Luis D.","Synthesis of azepino[4,5-b]indolones via an intermolecular radical oxidative substitution of N-Boc tryptamine","Organic & Biomolecular Chemistry","2009","7","7","1388","1396","10.1039/b821260k","","","0.71073","MoKα","","0.0678","0.0511","","","0.1195","0.1281","","","","","","1.037","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150619","9.7516","0.0016","17.835","0.003","8.8391","0.0014","90","","90.635","0.002","90","","1537.2","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","","Reyes-Gutiérrez, Paul E.; Torres-Ochoa, Rubén O.; Martínez, Roberto; Miranda, Luis D.","Synthesis of azepino[4,5-b]indolones via an intermolecular radical oxidative substitution of N-Boc tryptamine","Organic & Biomolecular Chemistry","2009","7","7","1388","1396","10.1039/b821260k","","","0.71073","MoKα","","0.0616","0.0378","","","0.0751","0.0817","","","","","","0.917","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150620","8.3976","0.0011","22.631","0.003","10.234","0.0014","90","","102.952","0.004","90","","1895.4","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H45 N3 O11 -","- C38 H45 N3 O11 -","- C76 H90 N6 O22 -","2","1","","Ribes, Celia; Falomir, Eva; Murga, Juan; Carda, Miguel; Alberto Marco, J.","Convergent, stereoselective syntheses of the glycosidase inhibitors broussonetines D and M","Organic & Biomolecular Chemistry","2009","7","7","1355","1360","10.1039/b821431j","","x-ray","0.71073","MoKα","","0.2248","0.0686","","","0.1408","0.2022","","","","","","0.957","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150621","13.5773","0.0006","13.5923","0.0006","15.9863","0.0007","87.224","0.001","71.872","0.001","84.466","0.001","2790.2","0.2","243","2","243","2","","","","","","","","6","P -1","-P 1","2","IMes-Pd(dmba)Cl","(chloro (1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene) (k2-N,C-dimethylbenzylamine)palladium (II)","","- C30 H36.5 Cl N3 O0.25 Pd -","- C30 H36.5 Cl N3 O0.25 Pd -","- C120 H146 Cl4 N12 O Pd4 -","4","2","","Peh, Guang-Rong; Kantchev, Eric Assen B.; Zhang, Chi; Ying, Jackie Y.","N-heterocycle carbene (NHC)-ligated cyclopalladated N,N-dimethylbenzylamine: a highly active, practical and versatile catalyst for the Heck‒Mizoroki reaction","Organic & Biomolecular Chemistry","2009","7","10","2110","2119","10.1039/b821892g","","","0.71073","MoKα","","0.0427","0.0346","","","0.0829","0.0866","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150622","27.786","0.002","4.5194","0.0008","17.0553","0.0004","90","","90","","90","","2141.7","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","aromatic amide","","","- C25 H20 N2 O7 -","- C25 H20 N2 O7 -","- C100 H80 N8 O28 -","4","1","","Prabhakaran, Panchami; Puranik, Vedavati G.; Chandran, Jima N.; Rajamohanan, P. R.; Hofmann, Hans-Jörg; Sanjayan, Gangadhar J.","Sterically controlled naphthalene homo-oligoamides with novel structural architectures","Organic & Biomolecular Chemistry","2009","7","11","2458","2465","10.1039/b822076j","","","0.71073","MoKα","","0.0497","0.035","","","0.0751","0.078","","","","","","1.012","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150623","10.1275","0.0013","10.7976","0.0014","11.7307","0.0014","96.883","0.003","94.267","0.003","90.92","0.003","1269.6","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","aromatic amide","","","- C26 H23 Cl3 N2 O5 -","- C26 H22 Cl3 N2 O5 -","- C52 H44 Cl6 N4 O10 -","2","1","","Prabhakaran, Panchami; Puranik, Vedavati G.; Chandran, Jima N.; Rajamohanan, P. R.; Hofmann, Hans-Jörg; Sanjayan, Gangadhar J.","Sterically controlled naphthalene homo-oligoamides with novel structural architectures","Organic & Biomolecular Chemistry","2009","7","11","2458","2465","10.1039/b822076j","","","0.71073","MoKα","","0.2465","0.0705","","","0.1925","0.2732","","","","","","0.79","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150624","9.648","0.0019","9.9528","0.0019","17.941","0.003","90","","90","","90","","1722.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br O5 -","- C16 H19 Br O5 -","- C64 H76 Br4 O20 -","4","1","","Yang, Jin; Wang, Ting; Ding, Zhenhua; Shen, Zongxuan; Zhang, Yawen","Highly diastereo- and enantioselective organocatalytic addition of acetone to β-substituted α-ketoesters via dynamic kinetic resolution","Organic & Biomolecular Chemistry","2009","7","10","2208","2213","10.1039/b822127h","","","0.7107","MoKα","","0.1148","0.0748","","","0.1449","0.1602","","","","","","1.169","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150625","6.1265","0.0004","13.8082","0.0009","19.2305","0.0013","90","","90","","90","","1626.82","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C72 H84 N12 O4 -","4","1","","Coeffard, Vincent; Müller-Bunz, Helge; Guiry, Patrick J.","The synthesis of new oxazoline-containing bifunctional catalysts and their application in the addition of diethylzinc to aldehydes","Organic & Biomolecular Chemistry","2009","7","8","1723","1734","10.1039/b822580j","","","0.71073","MoKα","","0.0398","0.0368","","","0.0981","0.1009","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150626","10.4417","0.0006","11.1428","0.0006","17.018","0.0009","90","","90","","90","","1980.04","0.19","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cl2 N3 O Zn -","- C18 H21 Cl2 N3 O Zn -","- C72 H84 Cl8 N12 O4 Zn4 -","4","1","","Coeffard, Vincent; Müller-Bunz, Helge; Guiry, Patrick J.","The synthesis of new oxazoline-containing bifunctional catalysts and their application in the addition of diethylzinc to aldehydes","Organic & Biomolecular Chemistry","2009","7","8","1723","1734","10.1039/b822580j","","","0.71073","MoKα","","0.0302","0.0285","","","0.0747","0.0759","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150627","8.146","0.004","10.714","0.005","13.58","0.007","69.23","0.007","85.432","0.007","89.137","0.007","1104.6","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 F2 O6 -","- C25 H24 F2 O6 -","- C50 H48 F4 O12 -","2","1","","Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng","A new domino autocatalytic reaction leading to polyfunctionalized spiro[5.5]undecanes and dispiro[4.2.5.2]pentadecanes","Organic & Biomolecular Chemistry","2009","7","10","2195","2201","10.1039/b822645h","","","0.71073","MoKα","","0.0846","0.0535","","","0.133","0.1562","","","","","","1.028","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150628","9.977","0.005","20.162","0.009","12.508","0.006","90","","94.934","0.008","90","","2507","2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 O8 -","- C27 H30 O8 -","- C108 H120 O32 -","4","1","","Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng","A new domino autocatalytic reaction leading to polyfunctionalized spiro[5.5]undecanes and dispiro[4.2.5.2]pentadecanes","Organic & Biomolecular Chemistry","2009","7","10","2195","2201","10.1039/b822645h","","","0.71073","MoKα","","0.2361","0.0747","","","0.1392","0.1874","","","","","","1.005","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150629","7.356","0.003","12.59","0.005","14.852","0.006","69.787","0.006","87.415","0.007","79.243","0.006","1267.8","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Br2 N0 O6 -","- C26 H26 Br2 O6 -","- C52 H52 Br4 O12 -","2","1","","Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng","A new domino autocatalytic reaction leading to polyfunctionalized spiro[5.5]undecanes and dispiro[4.2.5.2]pentadecanes","Organic & Biomolecular Chemistry","2009","7","10","2195","2201","10.1039/b822645h","","","0.71073","MoKα","","0.2196","0.0728","","","0.1245","0.1455","","","","","","1","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150630","6.8061","0.0008","22.23","0.003","14.9656","0.0016","90","","99.243","0.002","90","","2234.9","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O9 -","- C25 H22 O9 -","- C100 H88 O36 -","4","1","","Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng","A new domino autocatalytic reaction leading to polyfunctionalized spiro[5.5]undecanes and dispiro[4.2.5.2]pentadecanes","Organic & Biomolecular Chemistry","2009","7","10","2195","2201","10.1039/b822645h","","","0.71073","MoKα","","0.3029","0.0943","","","0.1917","0.2599","","","","","","1.005","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150631","10.8538","0.0005","10.2423","0.0004","18.513","0.0007","90","","100.106","0.002","90","","2026.12","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","","Coldham, Iain; Jana, Samaresh; Watson, Luke; Martin, Nathaniel G.","Cascade condensation, cyclization, intermolecular dipolar cycloaddition by multi-component coupling and application to a synthesis of (±)-crispine A","Organic & Biomolecular Chemistry","2009","7","8","1674","1679","10.1039/b822743h","","","0.71073","MoKα","","0.0733","0.0474","","","0.1159","0.1344","","","","","","1.026","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150632","11.834","0.0004","16.5803","0.0005","9.4455","0.0003","90","","110.556","0.001","90","","1735.31","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O6 -","- C19 H23 N O6 -","- C76 H92 N4 O24 -","4","1","","Coldham, Iain; Jana, Samaresh; Watson, Luke; Martin, Nathaniel G.","Cascade condensation, cyclization, intermolecular dipolar cycloaddition by multi-component coupling and application to a synthesis of (±)-crispine A","Organic & Biomolecular Chemistry","2009","7","8","1674","1679","10.1039/b822743h","","","0.71073","MoKα","","0.0403","0.0358","","","0.0952","0.0988","","","","","","1.047","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150633","9.0677","0.0003","12.2382","0.0004","13.3377","0.0004","88.777","0.002","73.519","0.002","80.784","0.002","1400.53","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Cl3 N O6 S2 -","- C27 H28 Cl3 N O6 S2 -","- C54 H56 Cl6 N2 O12 S4 -","2","1","","Coldham, Iain; Jana, Samaresh; Watson, Luke; Martin, Nathaniel G.","Cascade condensation, cyclization, intermolecular dipolar cycloaddition by multi-component coupling and application to a synthesis of (±)-crispine A","Organic & Biomolecular Chemistry","2009","7","8","1674","1679","10.1039/b822743h","","","0.71073","MoKα","","0.0345","0.0292","","","0.0745","0.0778","","","","","","1.04","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150634","11.18","0.007","17.516","0.008","13.175","0.007","90","","112.18","0.03","90","","2389","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21.9 Br1.1 N O4 S -","- C25 H21.9 Br1.1 N O4 S -","- C100 H87.6 Br4.4 N4 O16 S4 -","4","1","","Ayats, Carles; Soley, Roger; Albericio, Fernando; Álvarez, Mercedes","Synthesis of the pyrrolo[2,3-c]carbazole core of the dictyodendrins","Organic & Biomolecular Chemistry","2009","7","5","860","862","10.1039/b822933n","","","0.71073","MoKα","","0.1179","0.056","","","0.1514","0.1857","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150635","28.5943","0.0012","9.1264","0.0004","9.5011","0.0004","90","","90.748","0.002","90","","2479.22","0.18","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H24 N O5.5 S -","- C26 H24 N O5.5 S -","- C104 H96 N4 O22 S4 -","4","1","","Lorpitthaya, Rujee; Sophy, K. B.; Kuo, Jer-Lai; Liu, Xue-Wei","Highly stereoselective synthesis of aminoglycosides via rhodium-catalyzed and substrate-controlled aziridination of glycals","Organic & Biomolecular Chemistry","2009","7","7","1284","1287","10.1039/b823099b","","","0.71073","MoKα","","0.0814","0.07","","","0.2025","0.2216","","","","","","1.103","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150636","11.0933","0.0002","26.7833","0.0006","13.2013","0.0003","90","","98.056","0.001","90","","3883.6","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H57 N5 O3 -","- C43 H57 N5 O3 -","- C172 H228 N20 O12 -","4","1","","Hiscock, Jennifer R.; Caltagirone, Claudia; Light, Mark E.; Hursthouse, Michael B.; Gale, Philip A.","Fluorescent carbazolylurea anion receptors","Organic & Biomolecular Chemistry","2009","7","9","1781","1783","10.1039/b900178f","","","0.71073","MoKα","","0.1274","0.0674","","","0.1354","0.1613","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150637","10.98","0.005","13.774","0.005","15.173","0.005","68.76","0.005","85.232","0.005","81.541","0.005","2114.5","1.4","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H59 N5 O3 -","- C48 H59 N5 O3 -","- C96 H118 N10 O6 -","2","2","","Hiscock, Jennifer R.; Caltagirone, Claudia; Light, Mark E.; Hursthouse, Michael B.; Gale, Philip A.","Fluorescent carbazolylurea anion receptors","Organic & Biomolecular Chemistry","2009","7","9","1781","1783","10.1039/b900178f","","","0.71069","MoKα","","0.119","0.0661","","","0.1368","0.1589","","","","","","1.028","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150638","9.2919","0.0008","13.7266","0.0012","12.8144","0.001","90","","92.825","0.002","90","","1632.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Zhang, Fengzhi; Simpkins, Nigel S.; Blake, Alexander J.","New approaches for the synthesis of erythrinan alkaloids","Organic & Biomolecular Chemistry","2009","7","9","1963","1979","10.1039/b900189a","","","0.71073","MoKα","","0.0563","0.0411","","","0.102","0.108","","","","","","0.97","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150639","12.0486","0.0003","12.5522","0.0003","15.703","0.0004","98.5162","0.0018","97.4398","0.0018","103.293","0.0018","2252.52","0.1","298","","298","","","","","","","","","5","P -1","-P 1","2","(7-benzyl-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan- 2-yl)-7H-pyrrolo(2","(7-benzyl-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine)","","- C25 H26 B N3 O2 -","- C25 H26 B N3 O2 -","- C100 H104 B4 N12 O8 -","4","2","","Klečka, Martin; Pohl, Radek; Klepetářová, Blanka; Hocek, Michal","Direct C‒H borylation and C‒H arylation of pyrrolo[2,3-d]pyrimidines: synthesis of 6,8-disubstituted 7-deazapurines","Organic & Biomolecular Chemistry","2009","7","5","866","868","10.1039/b900218a","","","1.54184","CuKα","","0.0911","0.0589","","0.0785","0.0675","0.0675","","","","","","1.0755","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150640","9.8513","0.0018","10.4417","0.0018","11.565","0.002","101.076","0.014","114.026","0.017","104.117","0.015","995.1","0.4","298","","298","","","","","","","","","3","P -1","-P 1","2","(7-benzyl-4-phenyl-6-p-tolyl-7H-pyrrolo(2,3-d)pyrimidine)","(7-benzyl-4-phenyl-6-p-tolyl-7H-pyrrolo[2,3-d]pyrimidine)","","- C26 H21 N3 -","- C26 H21 N3 -","- C52 H42 N6 -","2","1","","Klečka, Martin; Pohl, Radek; Klepetářová, Blanka; Hocek, Michal","Direct C‒H borylation and C‒H arylation of pyrrolo[2,3-d]pyrimidines: synthesis of 6,8-disubstituted 7-deazapurines","Organic & Biomolecular Chemistry","2009","7","5","866","868","10.1039/b900218a","","","1.54184","CuKα","","0.0791","0.0501","","0.0769","0.061","0.061","","","","","","1.0007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150641","27.274","0.003","5.7146","0.0007","16.204","0.002","90","","90","","90","","2525.6","0.5","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 F N O3 -","- C16 H12 F N O3 -","- C128 H96 F8 N8 O24 -","8","2","","Guo, Yong; Twamley, Brendan; Shreeve, Jean'ne M.","Pd-catalyzed arylation of silyl enol ethers of substituted α-fluoroketones","Organic & Biomolecular Chemistry","2009","7","8","1716","1722","10.1039/b900311h","","","0.71073","MoKα","","0.0637","0.0468","","","0.1052","0.115","","","","","","1.024","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7150642","7.4507","0.0004","10.6081","0.0006","14.7549","0.0009","77.052","0.004","78.918","0.003","81.775","0.003","1109.24","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl 4-hydroxy-2,5-dimethylisophthalate","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","2","","Shkoor, Mohanad; Riahi, Abdolmajid; Fatunsin, Olumide; Hussain, Ibrar; Yawer, Mirza A.; Lubbe, Mathias; Reim, Stefanie; Reinke, Helmut; Fischer, Christine; Langer, Peter","Diversity-oriented synthesis of 1-hydroxy-2,4-benzodioates by regioselective [3+3] cyclocondensations of 1,3-bis(silyloxy)-1,3-butadienes with 3-alkoxy- and 3-silyloxy-2-alkoxycarbonyl-2-en-1-ones","Organic & Biomolecular Chemistry","2009","7","10","2182","2186","10.1039/b900542k","","","0.71073","MoKα","","0.0949","0.0503","","","0.1178","0.1407","","","","","","1.017","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150643","4.0186","0.0002","33.9422","0.0015","11.3074","0.0005","90","","98.435","0.003","90","","1525.65","0.12","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 4'-chloro-2-hydroxy-4-methylbiphenyl-3,5-dicarboxylate","","- C17 H15 Cl O5 -","- C17 H15 Cl O5 -","- C68 H60 Cl4 O20 -","4","1","","Shkoor, Mohanad; Riahi, Abdolmajid; Fatunsin, Olumide; Hussain, Ibrar; Yawer, Mirza A.; Lubbe, Mathias; Reim, Stefanie; Reinke, Helmut; Fischer, Christine; Langer, Peter","Diversity-oriented synthesis of 1-hydroxy-2,4-benzodioates by regioselective [3+3] cyclocondensations of 1,3-bis(silyloxy)-1,3-butadienes with 3-alkoxy- and 3-silyloxy-2-alkoxycarbonyl-2-en-1-ones","Organic & Biomolecular Chemistry","2009","7","10","2182","2186","10.1039/b900542k","","","0.71073","MoKα","","0.0857","0.0437","","","0.0895","0.1008","","","","","","0.899","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150644","10.7093","0.0009","12.0684","0.0011","13.4541","0.0012","114.885","0.002","100.794","0.002","96.372","0.002","1514","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H52 Cl4 Cu2 N4 P2 -","- C66 H52 Cl4 Cu2 N4 P2 -","- C66 H52 Cl4 Cu2 N4 P2 -","1","0.5","","Fleming, William J.; Müller-Bunz, Helge; Lillo, Vanesa; Fernández, Elena; Guiry, Patrick J.","Axially chiral P-N ligands for the copper catalyzed β-borylation of α,β-unsaturated esters","Organic & Biomolecular Chemistry","2009","7","12","2520","2524","10.1039/b900741e","","","0.71073","MoKα","","0.0666","0.0535","","","0.1509","0.1572","","","","","","1.103","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150645","9.8195","0.0009","29.059","0.003","15.0113","0.0014","90","","95.039","0.002","90","","4266.8","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H42 Cl F6 N3 P2 Pd -","- C47 H42 Cl F6 N3 P2 Pd -","- C188 H168 Cl4 F24 N12 P8 Pd4 -","4","2","","Fleming, William J.; Müller-Bunz, Helge; Lillo, Vanesa; Fernández, Elena; Guiry, Patrick J.","Axially chiral P-N ligands for the copper catalyzed β-borylation of α,β-unsaturated esters","Organic & Biomolecular Chemistry","2009","7","12","2520","2524","10.1039/b900741e","","","0.71073","MoKα","","0.0443","0.0408","","","0.1005","0.1028","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150646","11.836","0.002","16.17","0.003","12.621","0.003","90","","90","","90","","2415.5","0.8","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C30 H34 N4 -","- C30 H34 N4 -","- C120 H136 N16 -","4","1","","Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason","Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups","Organic & Biomolecular Chemistry","2009","7","13","2704","2715","10.1039/b901060b","","","0.71073","MoKα","","0.0487","0.0428","","","0.0854","0.0875","","","","","","0.944","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150647","30.277","0.004","30.277","0.004","25.361","0.005","90","","90","","90","","23248","6","293","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C46.2 H51.2 Cl3.6 N6 -","- C45 H26 N6 -","- C900 H520 N120 -","20","2.5","","Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason","Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups","Organic & Biomolecular Chemistry","2009","7","13","2704","2715","10.1039/b901060b","","","0.71073","MoKα","","0.2136","0.1808","","","0.4508","0.4742","","","","","","1.629","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150648","13.395","0.003","13.92","0.003","18.238","0.004","82.99","0.03","74.76","0.03","63.01","0.03","2923.7","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H75 Cl6 N8 -","- C65 H75 Cl6 N8 -","- C130 H150 Cl12 N16 -","2","1","","Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason","Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups","Organic & Biomolecular Chemistry","2009","7","13","2704","2715","10.1039/b901060b","","","0.71073","MoKα","","0.0922","0.0791","","","0.2112","0.2168","","","","","","1.06","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150649","8.6359","0.0007","40.315","0.008","13.478","0.003","90","","107.581","0.01","90","","4473.3","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C106 H138 N12 O4 -","- C106 H138 N12 O4 -","- C212 H276 N24 O8 -","2","0.5","","Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason","Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups","Organic & Biomolecular Chemistry","2009","7","13","2704","2715","10.1039/b901060b","","","1.54178","CuKα","","0.0429","0.0367","","","0.096","0.0987","","","","","","0.956","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150650","12.3277","0.0008","9.6466","0.0007","15.918","0.0011","90","","103.091","0.002","90","","1843.8","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Bruder, Marjorie; Smith, Stephen J.; Blake, Alexander J.; Moody, Christopher J.","Synthesis of (±)-likonide B (smenochromene D) using a regioselective Claisen rearrangement, separation of the enantiomers and stereochemical assignment","Organic & Biomolecular Chemistry","2009","7","10","2127","2134","10.1039/b901358j","","","0.71073","MoKα","","0.0481","0.0436","","","0.12","0.124","","","","","","1.06","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150651","12.482","0.009","13.018","0.01","8.14","0.006","90","","107.639","0.012","90","","1260.5","1.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Ramachary, Dhevalapally B.; Venkaiah, Chintalapudi; Reddy, Y. Vijayendar; Kishor, Mamillapalli","Multi-catalysis cascade reactions based on the methoxycarbonylketene platform: diversity-oriented synthesis of functionalized non-symmetrical malonates for agrochemicals and pharmaceuticals","Organic & Biomolecular Chemistry","2009","7","10","2053","2062","10.1039/b901652j","","","0.71073","MoKα","","0.064","0.0447","","","0.1103","0.1203","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150652","6.1541","0.0012","7.9492","0.0016","8.6988","0.0017","71.93","0.03","70.89","0.03","83","0.03","382.17","0.16","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C15 H23 N O5 -","1","1","","Mathieson, Jennifer E.; Crawford, James J.; Schmidtmann, Marc; Marquez, Rodolfo","Fast and efficient one step synthesis of dienamides","Organic & Biomolecular Chemistry","2009","7","10","2170","2175","10.1039/b901797f","","","0.71073","MoKα","","0.0362","0.0345","","","0.0933","0.095","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150653","7.6796","0.0001","8.7072","0.0001","17.3304","0.0002","81.579","0.001","78.919","0.001","87.911","0.001","1124.94","0.02","296","2","296","2","","","","","","","","3","P -1","-P 1","2","2,3-diarylbenzofuran","","","- C26 H24 O7 -","- C26 H24 O7 -","- C52 H48 O14 -","2","1","","Kim, Ikyon; Choi, Jihyun","A versatile approach to oligostilbenoid natural products ‒ synthesis of permethylated analogues of viniferifuran, malibatol A, and shoreaphenol","Organic & Biomolecular Chemistry","2009","7","13","2788","2795","10.1039/b901911a","","","0.71073","MoKα","","0.0615","0.0439","","","0.1164","0.1284","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150654","7.5867","0.0001","7.9569","0.0001","14.3677","0.0002","79.655","0.001","81.41","0.001","81.762","0.001","837.59","0.02","296","2","296","2","","","","","","","","3","P -1","-P 1","2","3-arylbenzofuran","","","- C38 H34 O12 -","- C38 H34 O12 -","- C38 H34 O12 -","1","0.5","","Kim, Ikyon; Choi, Jihyun","A versatile approach to oligostilbenoid natural products ‒ synthesis of permethylated analogues of viniferifuran, malibatol A, and shoreaphenol","Organic & Biomolecular Chemistry","2009","7","13","2788","2795","10.1039/b901911a","","","0.71073","MoKα","","0.0679","0.0415","","","0.1011","0.1141","","","","","","1.041","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150655","7.9563","0.0012","8.4315","0.0012","28.798","0.004","90","","90","","90","","1931.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N3 O3 -","- C23 H23 N3 O3 -","- C92 H92 N12 O12 -","4","1","","Walton, Jeffrey G. A.; Patterson, Stephen; Liu, Gu; Haraldsen, Jeralyn D.; Hollick, Jonathan J.; Slawin, Alexandra M. Z.; Ward, Gary E.; Westwood, Nicholas J.","Synthesis and biological evaluation of functionalised tetrahydro-β-carboline analogues as inhibitors of Toxoplasma gondii invasion","Organic & Biomolecular Chemistry","2009","7","15","3049","","10.1039/b902319d","","","1.54178","CuKα","","0.1368","0.1033","","","0.2259","0.25","","","","","","1.142","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150656","7.475","0.001","8.234","0.001","16.061","0.002","90","","90","","90","","988.5","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S,2S,7R,8S,9R)-8-hydroxymethyl-10,12-dioxatricyclo- (7.2.1.027)dodec-4-ene","(1S,2S,7R,8S,9R)-8-hydroxymethyl-10,12-dioxatricyclo- [7.2.1.027]dodec-4-ene","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Stevens, Anne T.; Caira, Mino R.; Bull, James R.; Chibale, Kelly","Cycloaddition and one-carbon homologation studies in the synthesis of advanced iridoid precursors","Organic & Biomolecular Chemistry","2009","7","17","3527","3536","10.1039/b902452b","","","0.71073","MoKα","","0.0496","0.0357","","","0.076","0.0815","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150657","20.7","0.003","8.1002","0.0011","19.248","0.003","90","","94.392","0.002","90","","3217.9","0.8","100","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,3,4,6,7,9-Hexamethylbenzo(1,2-c:3,4-c':5,6-c'')trithiophene","","","- C18 H18 S3 -","- C18 H18 S3 -","- C144 H144 S24 -","8","1","","Wu, Yao-Ting; Tai, Chia-Cheng; Lin, Wei-Chih; Baldridge, Kim K.","1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c′:5,6-c′′]trithiophene: a twisted heteroarene","Organic & Biomolecular Chemistry","2009","7","13","2748","2755","10.1039/b902517k","","","0.71073","MoKα","","0.0468","0.0405","","","0.1054","0.11","","","","","","1.031","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150658","20.7","0.003","8.1002","0.0011","19.248","0.003","90","","94.392","0.002","90","","3217.9","0.8","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,3,4,6,7,9-Hexamethylbenzo(1,2-c:3,4-c':5,6-c'')trithiophene","","","- C18 H18 S3 -","- C18 H18 S3 -","- C144 H144 S24 -","8","1","","Wu, Yao-Ting; Tai, Chia-Cheng; Lin, Wei-Chih; Baldridge, Kim K.","1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c′:5,6-c′′]trithiophene: a twisted heteroarene","Organic & Biomolecular Chemistry","2009","7","13","2748","2755","10.1039/b902517k","","","0.71073","MoKα","","0.0598","0.0415","","","0.1058","0.1151","","","","","","0.95","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150659","7.361","0.003","10.817","0.004","12.31","0.004","90","","106.652","0.008","90","","939.1","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-ethyl 3-((S)-4-benzyl-2-oxooxazolidine-3-carbonyl)hex-5-enoate","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Kerhervé, Jennifer; Botuha, Candice; Dubois, Joëlle","New asymmetric synthesis of protein farnesyltransferase inhibitors via palladium-catalyzed cross-coupling reactions of 2-iodo-imidazoles","Organic & Biomolecular Chemistry","2009","7","10","2214","2222","10.1039/b902601k","","","0.71069","MoKα","","0.0561","0.0411","","","0.099","0.1082","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150660","12.3683","0.0017","4.9903","0.0008","12.8281","0.0018","90","","93.207","0.013","90","","790.5","0.2","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O -","- C17 H23 N O -","- C34 H46 N2 O2 -","2","1","","Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","Doubly diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements","Organic & Biomolecular Chemistry","2009","7","12","2604","2611","10.1039/b902753j","","","1.5418","CuKα","","0.0533","0.0511","","0.0611","0.0559","0.0557","","","","","","1.0335","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7150661","4.8727","0.0001","10.8284","0.0002","24.6333","0.0006","90","","95.4698","0.0009","90","","1293.82","0.05","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C60 H70 N2 O4 -","2","1","","Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","Doubly diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements","Organic & Biomolecular Chemistry","2009","7","12","2604","2611","10.1039/b902753j","","","0.71073","MoKα","","0.0683","0.041","","0.0728","0.0444","0.0511","","","","","","1.1768","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7150662","8.9487","0.0002","5.1851","0.0001","52.29","0.0007","90","","90","","90","","2426.25","0.08","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32.33 N O2 -","- C29 H32.3257 N O2 -","- C116 H129.303 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","Doubly diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements","Organic & Biomolecular Chemistry","2009","7","12","2604","2611","10.1039/b902753j","","","0.71073","MoKα","","0.0983","0.0777","","0.1858","0.155","0.1587","","","","","","0.986","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150663","14.6725","0.0014","10.8383","0.001","18.7883","0.0013","90","","127.732","0.005","90","","2363","0.4","293","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 B F2 N4 O2 -","- C26 H29 B F2 N4 O2 -","- C104 H116 B4 F8 N16 O8 -","4","1","","Lu, Hua; Xiong, Liqin; Liu, Hanzhuang; Yu, Mengxiao; Shen, Zhen; Li, Fuyou; You, Xiaozeng","A highly selective and sensitive fluorescent turn-on sensor for Hg2+ and its application in live cell imaging","Organic & Biomolecular Chemistry","2009","7","12","2554","2558","10.1039/b902912e","","","0.71073","MoKα","","0.1056","0.0673","","","0.1892","0.2121","","","","","","0.93","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150664","28.3633","0.0009","28.3633","0.0009","21.8616","0.0016","90","","90","","90","","17587.1","1.5","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","cucurbit[8]uril","","","- C66 H60.8 N32 O20.4 -","- C66 H60.8 N32 O20.4 -","- C528 H486.4 N256 O163.2 -","8","0.5","","Wang, Ruibing; Bardelang, David; Waite, Mélanie; Udachin, Konstantin A.; Leek, Donald M.; Yu, Kui; Ratcliffe, Christopher I.; Ripmeester, John A.","Inclusion complexes of coumarin in cucurbiturils","Organic & Biomolecular Chemistry","2009","7","11","2435","2439","10.1039/b903057c","","","0.7107","MoKα","","0.09","0.0793","","","0.2292","0.2368","","","","","","1.507","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150665","15.396","0.003","16.278","0.003","29.093","0.006","99.21","0.03","104.19","0.03","100.3","0.03","6794","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H144 Cl7 N16 O22 -","- C134 H120 Cl7 N16 O22 -","- C268 H240 Cl14 N32 O44 -","2","1","","Hu, Hai-Yu; Xiang, Jun-Feng; Chen, Chuan-Feng","Conformationally constrained aromatic oligoamide foldamers with supersecondary structure motifs","Organic & Biomolecular Chemistry","2009","7","12","2534","2539","10.1039/b903178b","","","0.71073","MoKα","","0.3228","0.149","","","0.3071","0.394","","","","","","1.125","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7150666","14.041","0.003","15.327","0.003","18.74","0.004","110.78","0.03","102.06","0.03","104.06","0.03","3458.6","1.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C133 H132.5 Cl13.5 N16 O20 -","- C133 H120 Cl13.5 N16 O20 -","- C133 H120 Cl13.5 N16 O20 -","1","0.5","","Hu, Hai-Yu; Xiang, Jun-Feng; Chen, Chuan-Feng","Conformationally constrained aromatic oligoamide foldamers with supersecondary structure motifs","Organic & Biomolecular Chemistry","2009","7","12","2534","2539","10.1039/b903178b","","","0.71073","MoKα","","0.2973","0.1473","","","0.3631","0.4435","","","","","","1.103","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150667","7.2064","0.0002","7.7304","0.0004","21.6681","0.001","90","","99.591","0.003","90","","1190.22","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 O2 -","- C12 H10 Cl2 O2 -","- C48 H40 Cl8 O8 -","4","1","","Kashinath, Dhurke; Mioskowski, Charles; Falck, J. R.; Goli, Mohan; Meunier, Stéphane; Baati, Rachid; Wagner, Alain","Highly stereoselective synthesis of (Z,E)-1-halo-1,3-dienol esters via rearrangement of Fischer chromium chloro-carbenes using microwave irradiation","Organic & Biomolecular Chemistry","2009","7","9","1771","1774","10.1039/b903244b","","","0.71073","MoKα","","0.0788","0.0462","","","0.1161","0.1368","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150668","7.5568","0.0009","5.6463","0.0008","12.8318","0.0011","90","","92.578","0.007","90","","546.95","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 Cl O3 -","- C11 H11 Cl O3 -","- C22 H22 Cl2 O6 -","2","1","","Kashinath, Dhurke; Mioskowski, Charles; Falck, J. R.; Goli, Mohan; Meunier, Stéphane; Baati, Rachid; Wagner, Alain","Highly stereoselective synthesis of (Z,E)-1-halo-1,3-dienol esters via rearrangement of Fischer chromium chloro-carbenes using microwave irradiation","Organic & Biomolecular Chemistry","2009","7","9","1771","1774","10.1039/b903244b","","","0.71073","MoKα","","0.094","0.0638","","","0.14","0.1674","","","","","","1.111","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150669","12.2334","0.0015","4.9607","0.0006","18.6244","0.0019","90","","105.91","0.007","90","","1086.9","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H31 I N2 O4 -","- C18 H31 I N2 O4 -","- C36 H62 I2 N4 O8 -","2","1","","Carbain, Benoit; Martin, Stephen R.; Collins, Patrick J.; Hitchcock, Peter B.; Streicher, Hansjörg","Galactose-conjugates of the oseltamivir pharmacophore—new tools for the characterization of influenza virus neuraminidases","Organic & Biomolecular Chemistry","2009","7","12","2570","2575","10.1039/b903394g","","x-ray","0.71073","MoKα","","0.1334","0.0736","","","0.1482","0.1772","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150670","8.3424","0.0001","9.2501","0.0001","11.6434","0.0002","98.854","0.001","97.19","0.001","94.937","0.001","875.71","0.02","285","2","285","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H28 Cl N O3 -","- C17 H28 Cl N O3 -","- C34 H56 Cl2 N2 O6 -","2","1","","Yang, Sung-Hyun; Clark, G. R.; Caprio, Vittorio","A concise approach to the core structures of pinnaic acid and halichlorine","Organic & Biomolecular Chemistry","2009","7","14","2981","2990","10.1039/b903904j","","","0.71073","MoKα","","0.0697","0.0443","","","0.1028","0.1162","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150671","8.551","0.0002","10.7255","0.0002","10.3379","0.0002","90","","96.33","0.002","90","","942.35","0.03","84","2","84","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O2 -","- C10 H17 N O2 -","- C40 H68 N4 O8 -","4","1","","Yang, Sung-Hyun; Clark, G. R.; Caprio, Vittorio","A concise approach to the core structures of pinnaic acid and halichlorine","Organic & Biomolecular Chemistry","2009","7","14","2981","2990","10.1039/b903904j","","","0.71073","MoKα","","0.0633","0.0569","","","0.1569","0.1626","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150672","7.0336","0.0001","20.633","0.0003","10.916","0.0001","90","","102.955","0.001","90","","1543.85","0.03","84","2","84","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C72 H100 N4 O8 -","4","2","","Yang, Sung-Hyun; Clark, G. R.; Caprio, Vittorio","A concise approach to the core structures of pinnaic acid and halichlorine","Organic & Biomolecular Chemistry","2009","7","14","2981","2990","10.1039/b903904j","","","0.71073","MoKα","","0.0367","0.0336","","","0.0844","0.0872","","","","","","0.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150673","6.2552","0.0001","10.5282","0.0002","13.4329","0.0002","104.454","0.001","101.796","0.001","97.25","0.001","823.76","0.02","84","2","84","1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H27 N O3 -","- C18 H27 N O3 -","- C36 H54 N2 O6 -","2","1","","Yang, Sung-Hyun; Clark, G. R.; Caprio, Vittorio","A concise approach to the core structures of pinnaic acid and halichlorine","Organic & Biomolecular Chemistry","2009","7","14","2981","2990","10.1039/b903904j","","","0.71073","MoKα","","0.0735","0.0559","","","0.144","0.1582","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150674","10.8855","0.001","12.0229","0.0011","13.1337","0.0012","88.141","0.002","75.077","0.002","73.626","0.002","1592","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H38 O2 -","- C40 H38 O2 -","- C80 H76 O4 -","2","1","","Li, Wei; Shi, Min","Triflic imide-catalyzed cascade cycloaddition and Friedel‒Crafts reaction of diarylvinylidenecyclopropanes with ethyl 5,5-diarylpenta-2,3,4-trienoate","Organic & Biomolecular Chemistry","2009","7","9","1775","1777","10.1039/b903965a","","","0.71073","MoKα","","0.1545","0.0757","","","0.1628","0.1982","","","","","","0.941","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150675","11.091","0.0008","12.2148","0.0008","27.0216","0.0019","90","","99.362","0.001","90","","3612","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 Cl4 O2 -","- C41 H39 Cl4 O2 -","- C164 H156 Cl16 O8 -","4","1","","Li, Wei; Shi, Min","Triflic imide-catalyzed cascade cycloaddition and Friedel‒Crafts reaction of diarylvinylidenecyclopropanes with ethyl 5,5-diarylpenta-2,3,4-trienoate","Organic & Biomolecular Chemistry","2009","7","9","1775","1777","10.1039/b903965a","","","0.71073","MoKα","","0.0969","0.0602","","","0.1556","0.1737","","","","","","0.983","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150676","9.7469","0.0012","11.613","0.0014","15.7201","0.0018","90.102","0.002","93.697","0.003","100.409","0.002","1746.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 Cl2 O3 -","- C42 H40 Cl2 O3 -","- C84 H80 Cl4 O6 -","2","1","","Li, Wei; Shi, Min","Triflic imide-catalyzed cascade cycloaddition and Friedel‒Crafts reaction of diarylvinylidenecyclopropanes with ethyl 5,5-diarylpenta-2,3,4-trienoate","Organic & Biomolecular Chemistry","2009","7","9","1775","1777","10.1039/b903965a","","","0.71073","MoKα","","0.0995","0.0583","","","0.1324","0.1499","","","","","","0.909","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150677","11.802","0.001","7.528","0.001","15.271","0.002","90","","110.66","0.01","90","","1269.5","0.3","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H47 Br O -","- C27 H47 Br O -","- C54 H94 Br2 O2 -","2","1","","Martin, René; Saini, Ratni; Bauer, Ingmar; Gruner, Margit; Kataeva, Olga; Zagoriy, Vyacheslav; Entchev, Eugeni V.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","4α-Bromo-5α-cholestan-3β-ol and nor-5α-cholestan-3β-ol derivatives—stereoselective synthesis and hormonal activity in Caenorhabditis elegans","Organic & Biomolecular Chemistry","2009","7","11","2303","2309","10.1039/b904001c","","","0.71073","MoKα","","0.0393","0.0268","","","0.0574","0.0611","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150678","12.7428","0.0004","17.2842","0.0006","18.132","0.0006","117.951","0.001","97.062","0.001","99.851","0.001","3379.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Br4 N10 O7 -","- C64 H92 Br4 N10 O7 -","- C128 H184 Br8 N20 O14 -","2","1","","Willans, Charlotte E.; Anderson, Kirsty M.; Potts, Lydia C.; Steed, Jonathan W.","Allosteric effects in a tetrapodal imidazolium-derived calix[4]arene anion receptor","Organic & Biomolecular Chemistry","2009","7","13","2756","2760","10.1039/b904148f","","","0.71073","MoKα","","0.0606","0.038","","","0.0913","0.0999","","","","","","1.032","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150679","17.8228","0.0007","18.0014","0.0007","25.5431","0.001","77.151","0.001","82.016","0.002","60.606","0.001","6957.1","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H102.5 Cl4 N8 O13.25 -","- C60 H76 Cl4 N8 O13.25 -","- C240 H304 Cl16 N32 O53 -","4","2","","Willans, Charlotte E.; Anderson, Kirsty M.; Potts, Lydia C.; Steed, Jonathan W.","Allosteric effects in a tetrapodal imidazolium-derived calix[4]arene anion receptor","Organic & Biomolecular Chemistry","2009","7","13","2756","2760","10.1039/b904148f","","","0.71073","MoKα","","0.2244","0.1233","","","0.3534","0.4138","","","","","","1.251","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150680","11.2373","0.0003","16.0639","0.0005","19.0982","0.0006","114.249","0.001","97.909","0.001","99.557","0.001","3017.42","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C61.33 H80.68 N12.66 O13.34 -","- C61.328 H77.992 N12.664 O13.336 -","- C122.656 H155.984 N25.328 O26.672 -","2","1","","Willans, Charlotte E.; Anderson, Kirsty M.; Potts, Lydia C.; Steed, Jonathan W.","Allosteric effects in a tetrapodal imidazolium-derived calix[4]arene anion receptor","Organic & Biomolecular Chemistry","2009","7","13","2756","2760","10.1039/b904148f","","","0.71073","MoKα","","0.166","0.0784","","","0.2197","0.2765","","","","","","1.029","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150681","11.2796","0.0018","12.066","0.002","14.734","0.002","83.1","0.008","79.807","0.008","89.782","0.008","1959","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H20 Cl8 N6 O2 -","- C39 H20 Cl8 N6 O2 -","- C78 H40 Cl16 N12 O4 -","2","1","","Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Facile synthesis of dicyanovinyl-di(meso-aryl)dipyrromethenes via a dipyrromethene‒DDQ adduct","Organic & Biomolecular Chemistry","2009","7","10","2032","2035","10.1039/b904446a","","","0.71073","MoKα","","0.0772","0.0527","","","0.1628","0.1743","","","","","","1.172","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150682","14.153","0.0016","10.3574","0.0011","20.116","0.002","90","","92.535","0.005","90","","2945.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 Cl4 N6 -","- C34 H18 Cl4 N6 -","- C136 H72 Cl16 N24 -","4","1","","Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Facile synthesis of dicyanovinyl-di(meso-aryl)dipyrromethenes via a dipyrromethene‒DDQ adduct","Organic & Biomolecular Chemistry","2009","7","10","2032","2035","10.1039/b904446a","","","0.71073","MoKα","","0.053","0.0332","","","0.0725","0.0821","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150683","7.8137","0.0008","9.9057","0.0011","14.0837","0.0016","84.895","0.005","77.368","0.005","81.828","0.005","1051","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H11 Cl4 N3 O3 -","- C22 H11 Cl4 N3 O3 -","- C44 H22 Cl8 N6 O6 -","2","1","","Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Facile synthesis of dicyanovinyl-di(meso-aryl)dipyrromethenes via a dipyrromethene‒DDQ adduct","Organic & Biomolecular Chemistry","2009","7","10","2032","2035","10.1039/b904446a","","","0.71073","MoKα","","0.0381","0.0302","","","0.074","0.0787","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150684","8.6334","0.0001","11.818","0.0002","15.316","0.0002","77.339","0.001","88.859","0.001","89.677","0.001","1524.38","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","(E)-Dimethyl 1-benzyl-3-(1,2-dimethoxycarbonylvinylthio)-2- methyl-4-phenyl-1,4-dihydroselenopheno(2,3-b)pyrazine-6,7-dicarboxylate","","","- C30 H28 N2 O8 S Se -","- C30 H28 N2 O8 S Se -","- C60 H56 N4 O16 S2 Se2 -","2","1","","Zhang, Jian-Hong; Cheng, Ying","The [3 + 2] cycloaddition reaction of thiazole carbene-derived C-C-Se 1,3-dipoles: a concise and highly efficient strategy for the construction of multifunctional dihydroselenophenes and selenopheno[2,3-b]pyrazines","Organic & Biomolecular Chemistry","2009","7","16","3264","3270","10.1039/b904575a","","","0.71073","MoKα","","0.0483","0.0342","","","0.0892","0.0965","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150685","9.781","0.002","11.518","0.002","11.812","0.002","88.96","0.03","72.07","0.03","80.99","0.03","1249.8","0.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","(2Z,5Z)-Methyl 4-(4-bromobenzylamino)-5-(3,4- dichlorophenylimino)-2-(2-phenylethylidene)-2,5-dihydroselenophene-3- carboxylate","","","- C27 H21 Br Cl2 N2 O2 Se -","- C27 H21 Br Cl2 N2 O2 Se -","- C54 H42 Br2 Cl4 N4 O4 Se2 -","2","1","","Zhang, Jian-Hong; Cheng, Ying","The [3 + 2] cycloaddition reaction of thiazole carbene-derived C-C-Se 1,3-dipoles: a concise and highly efficient strategy for the construction of multifunctional dihydroselenophenes and selenopheno[2,3-b]pyrazines","Organic & Biomolecular Chemistry","2009","7","16","3264","3270","10.1039/b904575a","","","0.71073","MoKα","","0.0579","0.0367","","","0.0852","0.0921","","","","","","0.946","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150686","17.91","0.015","6.296","0.005","19.948","0.016","90","","90.4","0.03","90","","2249","3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cl2 N2 O -","- C25 H24 Cl2 N2 O -","- C100 H96 Cl8 N8 O4 -","4","1","","Vervisch, Karel; D'hooghe, Matthias; Törnroos, Karl W.; De Kimpe, Norbert","A new approach towards 1-phenyl and 1-benzyl substituted 2-(aminomethyl)cyclopropanecarboxamides as novel derivatives of the antidepressant Milnacipran","Organic & Biomolecular Chemistry","2009","7","16","3271","3279","10.1039/b904611a","","","0.71073","MoKα","","0.0488","0.0363","","","0.0893","0.0959","","","","","","1.031","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150687","7.014","0.0014","9.494","0.0019","11.755","0.002","74.26","0.03","79.41","0.03","86.75","0.03","740.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H18 Br N O2 S -","- C13 H18 Br N O2 S -","- C26 H36 Br2 N2 O4 S2 -","2","1","","Wei, Jun-fa; Zhang, Li-hui; Chen, Zhan-guo; Shi, Xian-ying; Cao, Jing-jing","KI-catalyzed aminobromination of olefins with TsNH2‒NBS combination","Organic & Biomolecular Chemistry","2009","7","16","3280","3284","10.1039/b904789a","","","0.71073","MoKα","","0.1013","0.0625","","","0.1679","0.1907","","","","","","0.998","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150688","17.635","0.003","11.989","0.003","9.298","0.002","90","","102.961","0.013","90","","1915.8","0.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4-Bis(pyrimidine-2,4-dione-5-yl)butadiyne","1,4-Bis(pyrimidine-2,4-dione-5-yl)butadiyne","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C64 H72 N16 O24 S8 -","4","1","","Schindler, Diana; Eißmann, Frank; Weber, Edwin","Rigid rod and tetrahedral hybrid compounds featuring nucleobase and nucleoside end-capped structures","Organic & Biomolecular Chemistry","2009","7","17","3549","3560","10.1039/b904889h","","","0.71073","MoKα","","0.0733","0.0466","","","0.1114","0.1217","","","","","","1.048","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150689","10.0148","0.0006","10.6959","0.0007","12.9949","0.0008","90","","102.575","0.001","90","","1358.59","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H37 N O5 S -","- C30 H37 N O5 S -","- C60 H74 N2 O10 S2 -","2","1","","Badorrey, Ramón; Portaña, Elsa; Díaz-de-Villegas, María D.; Gálvez, José A.","Stereocontrolled synthesis of orthogonally protected 2-substituted 4-aminopiperidines","Organic & Biomolecular Chemistry","2009","7","14","2912","2918","10.1039/b904948g","","","0.71073","MoKα","","0.0418","0.0401","","","0.1018","0.1028","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150690","6.6372","0.0004","18.6367","0.0012","12.6435","0.0008","90","","93.235","0.001","90","","1561.45","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 F3 O10 -","- C33 H39 F3 O10 -","- C66 H78 F6 O20 -","2","1","","Simpson, Denise S.; Lovell, Kimberly M.; Lozama, Anthony; Han, Nina; Day, Victor W.; Dersch, Christina M.; Rothman, Richard B.; Prisinzano, Thomas E.","Synthetic studies of neoclerodane diterpenes from Salvia divinorum: role of the furan in affinity for opioid receptors","Organic & Biomolecular Chemistry","2009","7","18","3748","3756","10.1039/b905148a","","","0.71073","MoKα","","0.0488","0.045","","","0.1069","0.1087","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150691","13.673","0.005","14.213","0.005","20.031","0.005","73.329","0.005","89.059","0.005","62.217","0.005","3267.5","1.9","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H52 Cl13 N2 O6 P -","- C66 H52 Cl13 N2 O6 P -","- C132 H104 Cl26 N4 O12 P2 -","2","1","","Bouit, Pierre-Antoine; Aronica, Christophe; Guy, Laure; Martinez, Alexandre; Andraud, Chantal; Maury, Olivier","Diastereoselective supramolecular ion-pairing between the TRISPHAT anion and pro-chiral heptamethine cyanine dyes","Organic & Biomolecular Chemistry","2009","7","15","3086","","10.1039/b905366b","","","0.71069","MoKα","","0.1199","0.0509","","0.1334","0.05","0.05","","","","","","1.1038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150692","10.3756","0.0006","12.6325","0.0007","16.2827","0.0009","90","","105.358","0.001","90","","2058","0.2","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C80 H104 N16 O24 -","4","1","","Hsieh, Ming-Tsang; Liu, Hsing-Jang; Ly, Tai Wei; Shia, Kak-Shan","A concise total synthesis of (±)-acutifolone A","Organic & Biomolecular Chemistry","2009","7","16","3285","3290","10.1039/b905910e","","","0.71073","MoKα","","0.0456","0.0335","","","0.0862","0.0888","","","","","","0.984","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150693","15.4787","0.0005","23.2471","0.0006","31.7802","0.0009","90","","90","","90","","11435.6","0.6","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H64 N4 O10 S2 -","- C64 H64 N4 O10 S2 -","- C512 H512 N32 O80 S16 -","8","1","","Gabutti, Sandro; Schaffner, Silvia; Neuburger, Markus; Fischer, Matthias; Schäfer, Gabriel; Mayor, Marcel","Planar chiral asymmetric naphthalenediimide cyclophanes: synthesis, characterization and tunable FRET properties","Organic & Biomolecular Chemistry","2009","7","16","3222","3229","10.1039/b905945h","","","0.71073","MoKα","","0.0943","0.0749","","0.1278","0.0697","0.0661","","","","","","1.0525","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150694","9.9888","0.001","10.6897","0.001","13.5774","0.0013","85.729","0.006","68.552","0.005","71.738","0.005","1280.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H35 N O6 -","- C27 H35 N O6 -","- C54 H70 N2 O12 -","2","1","","Bedford, Robin B.; Haddow, Mairi F.; Webster, Ruth L.; Mitchell, Charlotte J.","The catalytic ortho-arylation of tyrosine","Organic & Biomolecular Chemistry","2009","7","15","3119","","10.1039/b906119c","","","0.71073","MoKα","","0.0595","0.0404","","","0.0958","0.1054","","","","","","0.979","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150695","9.4191","0.0011","20.304","0.003","15.4161","0.0018","90","","97.671","0.002","90","","2921.9","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[dicyclohexyl[11-(2,6-dimethoxyphenyl)tricyclo [8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]phosphine oxide","","- C36 H45 O3 P -","- C36 H45 O3 P -","- C144 H180 O12 P4 -","4","1","","Ruan, Jiwu; Shearer, Lee; Mo, Jun; Bacsa, John; Zanotti-Gerosa, Antonio; Hancock, Fred; Wu, Xiaofeng; Xiao, Jianliang","[2.2]Paracyclophane-based monophosphine ligand for palladium-catalyzed cross-coupling reactions of aryl chlorides","Organic & Biomolecular Chemistry","2009","7","16","3236","3242","10.1039/b906139h","","","0.71073","","","0.0595","0.0441","","","0.1088","0.1161","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150696","6.1387","0.0007","11.0076","0.0013","10.776","0.0013","90","","103.653","0.002","90","","707.58","0.14","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C34 H36 O4 -","2","1","","Hong, Bor-Cherng; Nimje, Roshan Y.; Liao, Ju-Hsiou","Enantioselective synthesis of highly functionalized octahydro-6-oxo-1-phenylnaphthalene-2-carbaldehydes via organocatalytic domino reactions","Organic & Biomolecular Chemistry","2009","7","15","3095","","10.1039/b906205j","","","0.71073","MoKα","","0.0473","0.0435","","","0.1224","0.1266","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150697","18.564","0.001","18.564","0.001","10.127","0.001","90","","90","","120","","3022.4","0.4","293","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C42 H44 I N O6 -","- C42 H44 I N O6 -","- C126 H132 I3 N3 O18 -","3","1","","Pescatori, Luca; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","Monotopic and heteroditopic calix[4]arene receptors as hosts for pyridinium and viologen ion pairs: a solution and solid-state study","Organic & Biomolecular Chemistry","2009","7","18","3698","3708","10.1039/b906409e","","","1.54178","CuKα","","0.0924","0.0584","","","0.1535","0.1719","","","","","","0.925","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150698","11.284","0.005","14.758","0.005","29.067","0.005","90","","91.04","0.02","90","","4840","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C110 H116 N6 O16 S2 -","- C110 H112 N6 O16 S2 -","- C220 H224 N12 O32 S4 -","2","1","","Pescatori, Luca; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","Monotopic and heteroditopic calix[4]arene receptors as hosts for pyridinium and viologen ion pairs: a solution and solid-state study","Organic & Biomolecular Chemistry","2009","7","18","3698","3708","10.1039/b906409e","","","1.54178","CuKα","","0.1832","0.0727","","","0.2062","0.2254","","","","","","0.951","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150699","13.209","0.001","7.494","0.001","25.505","0.005","90","","91.45","0.01","90","","2523.9","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dioxaspiro(bicyclo(3.2.1)octane-2,2'-oxolane) derivative 1","dioxaspiro[bicyclo[3.2.1]octane-2,2'-oxolane] derivative 1","","- C27 H42 O7 -","- C27 H42 O7 -","- C108 H168 O28 -","4","1","","Piccialli, Vincenzo; Oliviero, Giorgia; Borbone, Nicola; Tuzi, Angela; Centore, Roberto; Hemminki, Akseli; Ugolini, Matteo; Cerullo, Vincenzo","Discovery of a new PCC-mediated stereoselective oxidative spiroketalization process. An access to a new type of poly-THF spiroketal compound displaying anticancer activity","Organic & Biomolecular Chemistry","2009","7","15","3036","","10.1039/b906872d","","x-ray","0.71073","MoKα","","0.2249","0.0575","","","","0.2048","","","","","","0.959","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150700","15.162","0.004","8.489","0.009","24.593","0.004","90","","111.634","0.009","90","","2942","3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dioxaspiro(bicyclo(3.2.1)octane-2,2'-oxolane) derivative 2","dioxaspiro[bicyclo[3.2.1]octane-2,2'-oxolane] derivative 2","","- C30 H50 O7 -","- C30 H50 O7 -","- C120 H200 O28 -","4","1","","Piccialli, Vincenzo; Oliviero, Giorgia; Borbone, Nicola; Tuzi, Angela; Centore, Roberto; Hemminki, Akseli; Ugolini, Matteo; Cerullo, Vincenzo","Discovery of a new PCC-mediated stereoselective oxidative spiroketalization process. An access to a new type of poly-THF spiroketal compound displaying anticancer activity","Organic & Biomolecular Chemistry","2009","7","15","3036","","10.1039/b906872d","","x-ray","0.71073","MoKα","","0.2423","0.0687","","","","0.2574","","","","","","1.013","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150701","9.725","0.0011","6.479","0.0007","20.325","0.002","90","","90","","90","","1280.6","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quinolizidine","","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","1","","Pandey, Ganesh; Grahacharya, Debasish; Shashidhara, K. S.; Khan, M. Islam; Puranik, Vedavati G.","Synthesis of polyfunctional quinolizidine alkaloids: development towards selective glycosidase inhibitors","Organic & Biomolecular Chemistry","2009","7","16","3300","3307","10.1039/b907007a","","","0.71073","MoKα","","0.1121","0.048","","","0.0864","0.1055","","","","","","0.965","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150702","5.3743","0.0004","10.2506","0.0007","24.3106","0.0017","90","","90","","90","","1339.27","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quinolizidine","","","- C13 H23 N O4 -","- C13 H23 N O4 -","- C52 H92 N4 O16 -","4","1","","Pandey, Ganesh; Grahacharya, Debasish; Shashidhara, K. S.; Khan, M. Islam; Puranik, Vedavati G.","Synthesis of polyfunctional quinolizidine alkaloids: development towards selective glycosidase inhibitors","Organic & Biomolecular Chemistry","2009","7","16","3300","3307","10.1039/b907007a","","","0.71073","MoKα","","0.0435","0.0358","","","0.0823","0.0856","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150703","7.814","0.0005","14.5374","0.0008","16.0994","0.001","90","","90","","90","","1828.82","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 N4 O7 -","- C14 H24 N4 O7 -","- C56 H96 N16 O28 -","4","1","","Fernández-Tejada, Alberto; Corzana, Francisco; Busto, Jesús H.; Avenoza, Alberto; Peregrina, Jesús M.","Stabilizing unusual conformations in small peptides and glucopeptides using a hydroxylated cyclobutane amino acid","Organic & Biomolecular Chemistry","2009","7","14","2885","2893","10.1039/b907091p","","","0.71073","MoKα","","0.1125","0.0652","","","0.149","0.1761","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150704","5.1252","0.0001","19.681","0.0002","9.804","0.0001","90","","96.1731","0.0006","90","","983.19","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(Phenylacetyl)-4-[(2S)-1-(phenylacetyl)-2-pyrrolidinyl]-2,3-dihydro-1H-pyrrole","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","","King, Frank D.; Aliev, Abil E.; Caddick, Stephen; Copley, Royston C. B.","An investigation into the electrophilic cyclisation of N-acyl-pyrrolidinium ions: a facile synthesis of pyrrolo-tetrahydroisoquinolones and pyrrolo-benzazepinones","Organic & Biomolecular Chemistry","2009","7","17","3561","3571","10.1039/b907400g","","","1.54178","CuKα","","0.0309","0.0304","","","0.0813","0.0818","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150705","5.1252","0.001","17.913","0.004","23.305","0.005","90","","90","","90","","2139.6","0.8","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11d","","","- C25 H25 N5 O -","- C25 H25 N5 O -","- C100 H100 N20 O4 -","4","1","","Ghiviriga, Ion; El-Gendy, Bahaa El-Dien M.; Steel, Peter J.; Katritzky, Alan R.","Tautomerism of guanidines studied by 15N NMR: 2-hydrazono-3-phenylquinazolin-4(3H)-ones and related compounds","Organic & Biomolecular Chemistry","2009","7","19","4110","4119","10.1039/b907577a","","","0.71073","MoKα","","0.0328","0.0313","","","0.0814","0.0827","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150706","10.964","0.0002","15.22","0.0003","8.8822","0.0002","90","","91.581","0.002","90","","1481.63","0.05","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","O-(p-chlorobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2- dioxaphosphorinan","O-(p-chlorobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","","- C12 H14 Cl O4 P Se -","- C12 H14 Cl O4 P Se -","- C48 H56 Cl4 O16 P4 Se4 -","4","1","","Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz","Synthesis and structural investigation of N-acyl selenophosphoramides","Organic & Biomolecular Chemistry","2009","7","19","4095","4100","10.1039/b907641g","","x-ray","0.71073","MoKα","","0.0364","0.0289","","","0.0751","0.0773","","","","","","1.104","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150707","8.6686","0.0003","14.9809","0.0004","12.4583","0.0004","90","","107.683","0.004","90","","1541.44","0.09","298","2","298","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","O-(p-metoxybenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2- dioxaphosphorinan","O-(p-metoxybenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","","- C13 H17 O5 P Se -","- C13 H17 O5 P Se -","- C52 H68 O20 P4 Se4 -","4","1","","Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz","Synthesis and structural investigation of N-acyl selenophosphoramides","Organic & Biomolecular Chemistry","2009","7","19","4095","4100","10.1039/b907641g","","x-ray","0.71073","MoKα","","0.0758","0.0414","","","0.0883","0.1081","","","","","","0.974","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150708","16.4014","0.001","7.6161","0.0003","12.2729","0.0006","90","","103.358","0.006","90","","1491.59","0.14","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","O-(p-nitrobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2- dioxaphosphorinan","O-(p-nitrobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","","- C12 H14 N O6 P Se -","- C12 H14 N O6 P Se -","- C48 H56 N4 O24 P4 Se4 -","4","1","","Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz","Synthesis and structural investigation of N-acyl selenophosphoramides","Organic & Biomolecular Chemistry","2009","7","19","4095","4100","10.1039/b907641g","","x-ray","0.71073","MoKα","","0.0745","0.0533","","","0.1438","0.1524","","","","","","1.089","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150709","11.9308","0.0007","15.4868","0.0009","8.2832","0.0004","90","","91.617","0.005","90","","1529.88","0.15","295","2","295","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","N-(p-chlorobenzoyl)-2-amino-2-seleno-5,5-dimethyl-1,3,2- dioxaphosphorinan","N-(p-chlorobenzoyl)-2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","","- C12 H15 Cl N O3 P Se -","- C12 H15 Cl N O3 P Se -","- C48 H60 Cl4 N4 O12 P4 Se4 -","4","1","","Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz","Synthesis and structural investigation of N-acyl selenophosphoramides","Organic & Biomolecular Chemistry","2009","7","19","4095","4100","10.1039/b907641g","","x-ray","0.71073","MoKα","","0.0926","0.0429","","","0.0944","0.1169","","","","","","0.817","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150710","9.9981","0.0002","27.8966","0.0005","10.6258","0.0003","90","","109.816","0.003","90","","2788.18","0.12","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","N-pivaloyl-2-amino-2-seleno-5,5-dimethyl-1,3,2- dioxaphosphorinan","N-pivaloyl-2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","","- C10 H20 N O3 P Se -","- C10 H20 N O3 P Se -","- C80 H160 N8 O24 P8 Se8 -","8","2","","Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz","Synthesis and structural investigation of N-acyl selenophosphoramides","Organic & Biomolecular Chemistry","2009","7","19","4095","4100","10.1039/b907641g","","x-ray","0.71073","MoKα","","0.0486","0.0361","","","0.0943","0.0982","","","","","","1.053","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150711","7.7108","0.0002","10.9466","0.0003","10.9955","0.0003","90","","103.13","0.003","90","","903.83","0.04","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","","- C5 H12 N O2 P Se -","- C5 H12 N O2 P Se -","- C20 H48 N4 O8 P4 Se4 -","4","1","","Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz","Synthesis and structural investigation of N-acyl selenophosphoramides","Organic & Biomolecular Chemistry","2009","7","19","4095","4100","10.1039/b907641g","","x-ray","0.71073","MoKα","","0.0291","0.0256","","","0.0648","0.0668","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150712","6.0167","0.0005","10.2379","0.0009","22.355","0.002","90","","90","","90","","1377","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07113a","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons‒Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.046","0.0329","","","0.0761","0.0803","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150713","30.294","0.008","6.4077","0.0017","7.0525","0.0019","90","","100.238","0.004","90","","1347.2","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","07114a","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons‒Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.0553","0.0394","","","0.0868","0.0922","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150714","6.2295","0.0004","11.8164","0.0007","12.8744","0.0008","84.547","0.001","86.582","0.001","76.412","0.001","916.31","0.1","173","2","173","2","","","","","","","","4","P 1","P 1","1","08084","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C42 H45 N3 O6 -","3","3","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons‒Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.0424","0.032","","","0.0732","0.0793","","","","","","1.038","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150715","6.4331","0.0018","11.657","0.003","15.86","0.004","90","","90","","90","","1189.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","08086t","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons‒Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.0416","0.0329","","","0.0756","0.0815","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150716","10.3033","0.0013","10.2448","0.0013","15.332","0.002","90","","95.088","0.002","90","","1612","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","09032a","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons‒Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.0584","0.0415","","","0.1043","0.1178","","","","","","1.031","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150717","6.2307","0.0011","16.094","0.003","8.0544","0.0015","90","","96.906","0.002","90","","801.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","09058a","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C36 H46 N2 O4 -","2","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons‒Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.0425","0.0342","","","0.0811","0.0861","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150718","11.093","0.0005","13.4335","0.0005","14.472","0.0006","90","","90","","90","","2156.59","0.15","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H21 Cl O3 -","- C27 H21 Cl O3 -","- C108 H84 Cl4 O12 -","4","1","","Zhang, Xiaoxiang; Rao, Weidong; Chan, Sally; Chan, Philip Wai Hong","Iron(III) chloride-catalysed direct nucleophilic α-substitution of Morita-Baylis-Hillman alcohols with alcohols, arenes, 1,3-dicarbonyl compounds, and thiols","Organic & Biomolecular Chemistry","2009","7","20","4186","","10.1039/b908447a","","","0.71073","MoKα","","0.0424","0.0351","","","0.0917","0.1006","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150719","8.5087","0.0004","10.7041","0.0005","10.9088","0.0005","112.218","0.003","93.624","0.003","107.362","0.003","860.27","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C42 H44 O4 -","2","1","","Zhang, Xiaoxiang; Rao, Weidong; Chan, Sally; Chan, Philip Wai Hong","Iron(III) chloride-catalysed direct nucleophilic α-substitution of Morita-Baylis-Hillman alcohols with alcohols, arenes, 1,3-dicarbonyl compounds, and thiols","Organic & Biomolecular Chemistry","2009","7","20","4186","","10.1039/b908447a","","","0.71073","MoKα","","0.0848","0.0512","","","0.1295","0.1569","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150720","9.4492","0.0004","16.4318","0.0008","16.9333","0.0007","90","","96.75","0.003","90","","2611","0.2","223","","","","","","","","","","Diederich laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 F2 N O2 -","- C30 H35 F2 N O2 -","- C120 H140 F8 N4 O8 -","4","1","","Fäh, Christoph; Hardegger, Leo A.; Baitsch, Lukas; Schweizer, W. Bernd; Meyer, Solange; Bur, Daniel; Diederich, François","New organofluorine building blocks: inhibition of the malarial aspartic proteases plasmepsin II and IV by alicyclic α,α-difluoroketone hydrates","Organic & Biomolecular Chemistry","2009","7","19","3947","3957","10.1039/b908489d","","","0.71073","MoKα","","0.1894","0.1624","","","0.4312","0.4509","","","","","","3.136","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150721","15.0801","0.0005","18.6531","0.0007","19.704","0.0006","90","","90","","90","","5542.6","0.3","233","","","","","","","","","","Diederich laboratory","5","P n 21 a","P -2ac -2n","33","","","","- C30 H35 F2 N O3 -","- C30 H35 F2 N O3 -","- C240 H280 F16 N8 O24 -","8","2","","Fäh, Christoph; Hardegger, Leo A.; Baitsch, Lukas; Schweizer, W. Bernd; Meyer, Solange; Bur, Daniel; Diederich, François","New organofluorine building blocks: inhibition of the malarial aspartic proteases plasmepsin II and IV by alicyclic α,α-difluoroketone hydrates","Organic & Biomolecular Chemistry","2009","7","19","3947","3957","10.1039/b908489d","","","0.71073","MoKα","","0.1113","0.0824","","","0.2026","0.2229","","","","","","1.373","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150722","7.67","0.0001","14.837","0.0003","20.519","0.0003","90","","90","","90","","2335.06","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 4d","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Cheeseman, Matt; Davies, Iwan R.; Axe, Phil; Johnson, Andrew L.; Bull, Steven D.","A temporary stereocentre approach for the asymmetric synthesis of chiral cyclopropane-carboxaldehydes","Organic & Biomolecular Chemistry","2009","7","17","3537","3548","10.1039/b908600e","","","0.71073","MoKα","","0.0589","0.0406","","","0.0918","0.0998","","","","","","1.027","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150723","15.9483","0.0004","19.0501","0.0005","37.5597","0.001","93.08","0.002","98.429","0.002","105.306","0.002","10836.4","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C196 H270 Cl16 N16 O25 S9 -","- C196 H270 Cl16 N16 O25 S9 -","- C392 H540 Cl32 N32 O50 S18 -","2","1","","Meshcheryakov, Denys; Bolte, Michael; Böhmer, Volker","Macrocyclic oligoureas with xanthene and diphenyl ether units","Organic & Biomolecular Chemistry","2009","7","21","4386","4390","10.1039/b909453a","","","0.71073","MoKα","","0.172","0.1395","","","0.3821","0.4089","","","","","","1.575","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150724","11.5704","0.0008","14.5997","0.001","12.5793","0.0009","90","","95.664","0.001","90","","2114.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N4 O3 -","- C26 H24 N4 O3 -","- C104 H96 N16 O12 -","4","1","","Sivappa, Rasapalli; Mukherjee, Sabuj; Dias, H. V. Rasika; Lovely, Carl J.","Studies toward the total synthesis of the oroidin dimers","Organic & Biomolecular Chemistry","2009","7","16","3215","3218","10.1039/b909482b","","","0.71073","MoKα","","0.0448","0.0388","","","0.1009","0.1066","","","","","","1.054","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150725","10.6504","0.0012","19.3","0.002","11.4094","0.0013","90","","115.389","0.002","90","","2118.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N5 O5 S -","- C21 H23 N5 O5 S -","- C84 H92 N20 O20 S4 -","4","1","","Sivappa, Rasapalli; Mukherjee, Sabuj; Dias, H. V. Rasika; Lovely, Carl J.","Studies toward the total synthesis of the oroidin dimers","Organic & Biomolecular Chemistry","2009","7","16","3215","3218","10.1039/b909482b","","","0.71073","MoKα","","0.0628","0.0508","","","0.138","0.1468","","","","","","1.066","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150726","16.2859","0.0002","18.576","0.0004","17.0941","0.0003","90","","107.105","0.0008","90","","4942.68","0.15","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C49 H65 F3 O16 -","- C49 H65 F3 O16 -","- C196 H260 F12 O64 -","4","1","","Tanima, Daisuke; Imamura, Yoko; Kawabata, Takeo; Tsubaki, Kazunori","Development of highly sensitive and selective molecules for detection of spermidine and spermine","Organic & Biomolecular Chemistry","2009","7","22","4689","4694","10.1039/b909682e","","","0.71069","MoKα","","0.0564","0.0475","","","0.1121","0.1186","","","","","","1.061","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150727","6.0491","0.0004","8.3323","0.0005","34.349","0.003","90","","90","","90","","1731.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3S, 5clambda, 8S)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5clambda5- phosphaspiro (4.4)-nonane-2,7-dione","(3S, 5Λ, 8S)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5Λ5-phosphaspiro [4.4]-nonane-2,7-dione","","- C18 H19 N2 O4 P -","- C18 H19 N2 O4 P -","- C72 H76 N8 O16 P4 -","4","1","","Hou, Jian-Bo; Zhang, Hui; Guo, Jian-Nan; Liu, Yan; Xu, Peng-Xiang; Zhao, Yu-Fen; Blackburn, G. Michael","Chirality at phosphorus in pentacoordinate spirophosphoranes: stereochemistry by X-ray structure and spectroscopic analysis","Organic & Biomolecular Chemistry","2009","7","15","3020","","10.1039/b909786d","","","0.71073","MoKα","","0.0698","0.0411","","","0.0629","0.0696","","","","","","0.892","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150728","6.0474","0.0002","8.329","0.0003","34.27","0.002","90","","90","","90","","1726.14","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3R, 5cdelta, 8R)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5clambda5- phosphaspiro (4.4)-nonane-2,7-dione","(3R, 5Δ, 8R)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5Λ5-phosphaspiro [4.4]-nonane-2,7-dione","","- C18 H19 N2 O4 P -","- C18 H19 N2 O4 P -","- C72 H76 N8 O16 P4 -","4","1","","Hou, Jian-Bo; Zhang, Hui; Guo, Jian-Nan; Liu, Yan; Xu, Peng-Xiang; Zhao, Yu-Fen; Blackburn, G. Michael","Chirality at phosphorus in pentacoordinate spirophosphoranes: stereochemistry by X-ray structure and spectroscopic analysis","Organic & Biomolecular Chemistry","2009","7","15","3020","","10.1039/b909786d","","","0.71073","MoKα","","0.0675","0.0625","","","0.1442","0.1457","","","","","","1.243","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150729","8.9756","0.0005","17.3489","0.001","12.2509","0.0007","90","","94.036","0.002","90","","1902.94","0.19","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H50 N2 O13 S -","- C36 H50 N2 O13 S -","- C72 H100 N4 O26 S2 -","2","1","","Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine","Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine","Organic & Biomolecular Chemistry","2009","7","19","3918","3921","10.1039/b910050d","","x-ray","0.71073","MoKα","","0.0386","0.0339","","","0.0857","0.0882","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150730","7.4542","0.0015","23.187","0.005","23.706","0.005","90","","90","","90","","4097.4","1.5","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H52 Cl2 N2 O13 S -","- C37 H52 Cl2 N2 O13 S -","- C148 H208 Cl8 N8 O52 S4 -","4","1","","Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine","Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine","Organic & Biomolecular Chemistry","2009","7","19","3918","3921","10.1039/b910050d","","x-ray","0.71073","MoKα","","0.0927","0.0754","","","0.1899","0.1988","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150731","12.629","0.005","14.954","0.005","20.739","0.005","90","","90","","90","","3917","2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 N2 O13 S -","- C36 H50 N2 O13 S -","- C144 H200 N8 O52 S4 -","4","1","","Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine","Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine","Organic & Biomolecular Chemistry","2009","7","19","3918","3921","10.1039/b910050d","","x-ray","0.71069","MoKα","","0.0687","0.0459","","","0.1106","0.1178","","","","","","1.057","","","","has coordinates","287905","2023-11-30","18:01:52",""
"7150732","9.9034","0.0012","10.2924","0.0013","20.413","0.002","90","","90","","90","","2080.7","0.4","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O11 -","- C18 H26 O11 -","- C72 H104 O44 -","4","1","","Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine","Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine","Organic & Biomolecular Chemistry","2009","7","19","3918","3921","10.1039/b910050d","","x-ray","0.71073","MoKα","","0.0737","0.0481","","","0.1193","0.1321","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150733","9.825","0.004","10.199","0.004","10.461","0.004","62","0.03","73.41","0.04","83.8","0.04","886.6","0.7","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N3 O -","- C8 H11 N3 O -","- C32 H44 N12 O4 -","4","2","","Wei, Siping; Liu, Bo; Zhao, Dongbing; Wang, Zhen; Wu, Jie; Lan, Jingbo; You, Jingsong","Pyrido[1,2-c][1,2,4]triazol-3-ylidene: reactivity and its application in organocatalysis and organometallic catalysis","Organic & Biomolecular Chemistry","2009","7","20","4241","4247","10.1039/b910073c","","","0.71073","MoKα","","0.1664","0.0472","","","0.0948","0.1155","","","","","","0.962","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150734","5.329","0.003","9.235","0.002","14.718","0.004","90","","93.53","0.03","90","","722.9","0.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N3 -","- C7 H9 N3 -","- C28 H36 N12 -","4","1","","Wei, Siping; Liu, Bo; Zhao, Dongbing; Wang, Zhen; Wu, Jie; Lan, Jingbo; You, Jingsong","Pyrido[1,2-c][1,2,4]triazol-3-ylidene: reactivity and its application in organocatalysis and organometallic catalysis","Organic & Biomolecular Chemistry","2009","7","20","4241","4247","10.1039/b910073c","","","0.71073","MoKα","","0.2079","0.0612","","","0.1346","0.1692","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150735","13.5774","0.0004","7.9769","0.0002","22.4305","0.0006","90","","106.67","0.003","90","","2327.25","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 -","- C12 H14 N4 -","- C96 H112 N32 -","8","2","","Wei, Siping; Liu, Bo; Zhao, Dongbing; Wang, Zhen; Wu, Jie; Lan, Jingbo; You, Jingsong","Pyrido[1,2-c][1,2,4]triazol-3-ylidene: reactivity and its application in organocatalysis and organometallic catalysis","Organic & Biomolecular Chemistry","2009","7","20","4241","4247","10.1039/b910073c","","x-ray","1.54184","CuKα","","0.0405","0.0349","","","0.1187","0.1229","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7150736","14.2321","0.0013","13.8619","0.0013","11.2976","0.0011","90","","105.46","0.002","90","","2148.2","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C104 H100 N4 O12 -","4","1","","Ramachary, Dhevalapally B.; Narayana, Vidadala V.; Prasad, M. Shiva; Ramakumar, Kinthada","High-yielding synthesis of Nefopam analogues (functionalized benzoxazocines) by sequential one-pot cascade operations","Organic & Biomolecular Chemistry","2009","7","17","3372","3378","10.1039/b910397j","","","0.71073","MoKα","","0.1082","0.0784","","","0.1521","0.1655","","","","","","1.121","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150737","12.9791","0.0007","15.0018","0.0008","13.9935","0.0008","90","","91.827","0.001","90","","2723.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O5 -","- C32 H30 N2 O5 -","- C128 H120 N8 O20 -","4","1","","Ramachary, Dhevalapally B.; Narayana, Vidadala V.; Prasad, M. Shiva; Ramakumar, Kinthada","High-yielding synthesis of Nefopam analogues (functionalized benzoxazocines) by sequential one-pot cascade operations","Organic & Biomolecular Chemistry","2009","7","17","3372","3378","10.1039/b910397j","","","0.71073","MoKα","","0.0749","0.0473","","","0.1093","0.1228","","","","","","1.021","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150738","16.275","0.0008","5.7027","0.0002","20.1112","0.001","90","","100.273","0.002","90","","1836.63","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O4 -","- C17 H23 N3 O4 -","- C68 H92 N12 O16 -","4","1","","Reviriego, Felipe; Sanz, Ana; Navarro, Pilar; Latorre, Julio; García-España, Enrique; Liu-Gonzalez, Malva","Self-assembly of 3,5-bis(ethoxycarbonyl)pyrazolate anions and ammonium cations of β-phenylethylamine or homoveratrylamine into hetero-double-stranded helical structures","Organic & Biomolecular Chemistry","2009","7","16","3212","3214","10.1039/b911053d","","","0.71073","MoKα","","0.2209","0.0631","","","0.1837","0.3011","","","","","","0.811","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7150739","13.176","0.0005","5.436","0.0002","29.713","0.001","90","","99.289","0.002","90","","2100.28","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound ege4v09","","","- C19 H27 N3 O6 -","- C19 H27 N3 O6 -","- C76 H108 N12 O24 -","4","1","","Reviriego, Felipe; Sanz, Ana; Navarro, Pilar; Latorre, Julio; García-España, Enrique; Liu-Gonzalez, Malva","Self-assembly of 3,5-bis(ethoxycarbonyl)pyrazolate anions and ammonium cations of β-phenylethylamine or homoveratrylamine into hetero-double-stranded helical structures","Organic & Biomolecular Chemistry","2009","7","16","3212","3214","10.1039/b911053d","","","0.71073","MoKα","","0.1286","0.0513","","","0.1399","0.1827","","","","","","0.917","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150740","10.7736","0.0003","14.6309","0.0004","16.0249","0.0006","68.959","0.001","72.573","0.002","83.647","0.002","2249.32","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H66 O13 -","- C48 H66 O13 -","- C96 H132 O26 -","2","1","","Salorinne, Kirsi; Tero, Tiia-Riikka; Riikonen, Kaisa; Nissinen, Maija","Synthesis and structure of mono-bridged resorcinarene host: a ditopic receptor for ammonium guests","Organic & Biomolecular Chemistry","2009","7","20","4211","4217","10.1039/b911389d","","","1.54178","CuKα","","0.0845","0.0619","","","0.1662","0.1856","","","","","","1.026","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150741","10.8389","0.0001","14.9945","0.0001","16.0372","0.0001","74.018","0.001","70.853","0.001","86.719","0.001","2365.5","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H70 O13 -","- C50 H70 O13 -","- C100 H140 O26 -","2","1","","Salorinne, Kirsi; Tero, Tiia-Riikka; Riikonen, Kaisa; Nissinen, Maija","Synthesis and structure of mono-bridged resorcinarene host: a ditopic receptor for ammonium guests","Organic & Biomolecular Chemistry","2009","7","20","4211","4217","10.1039/b911389d","","","1.54178","CuKα","","0.0553","0.0461","","","0.1197","0.1273","","","","","","1.037","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150742","10.8272","0.0004","16.307","0.0005","17.0285","0.0008","72.658","0.002","81.115","0.002","70.302","0.003","2697.05","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 N4 O11 -","- C56 H74 N4 O11 -","- C112 H148 N8 O22 -","2","1","","Salorinne, Kirsi; Tero, Tiia-Riikka; Riikonen, Kaisa; Nissinen, Maija","Synthesis and structure of mono-bridged resorcinarene host: a ditopic receptor for ammonium guests","Organic & Biomolecular Chemistry","2009","7","20","4211","4217","10.1039/b911389d","","","1.54178","CuKα","","0.0924","0.0643","","","0.1614","0.1804","","","","","","1.061","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150743","21.098","0.003","23.909","0.003","17.404","0.002","90","","109.994","0.003","90","","8250","1.8","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 F8 N2 O2 S -","- C17 H20 F8 N2 O2 S -","- C272 H320 F128 N32 O32 S16 -","16","2","","Wipf, Peter; Mo, Tingting; Geib, Steven J.; Caridha, Diana; Dow, Geoffrey S.; Gerena, Lucia; Roncal, Norma; Milner, Erin E.","Synthesis and biological evaluation of the first pentafluorosulfanyl analogs of mefloquine","Organic & Biomolecular Chemistry","2009","7","20","4163","4165","10.1039/b911483a","","","0.71073","MoKa","","0.09","0.0551","","","0.1342","0.1508","","","","","","1.006","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150744","9.974","0.0003","8.811","0.0003","12.149","0.0005","90","","108.248","0.001","90","","1013.97","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C44 H50 N2 O4 -","2","1","","Blay, Gonzalo; Cardona, Luz; Fernández, Isabel; Marco-Aleixandre, Alícia; Muñoz, M. Carmen; Pedro, José R.","Catalytic enantioselective addition of terminal alkynes to aromatic aldehydes using zinc-hydroxyamide complexes","Organic & Biomolecular Chemistry","2009","7","20","4301","4308","10.1039/b911592g","","","0.71073","MoKα","","0.1258","0.0683","","","0.1676","0.2119","","","","","","0.999","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150745","11.3908","0.0003","13.6976","0.0004","17.8554","0.0005","91.608","0.002","107.31","0.001","99.132","0.001","2617.64","0.13","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 N2 O12 S2 -","- C60 H58 N2 O12 S2 -","- C120 H116 N4 O24 S4 -","2","1","","Gruber, Tobias; Fischer, Conrad; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin","Calix[4]arenes featuring a direct lower rim attachment of dansyl groups. Synthesis, fluorescence properties and first report on crystal structures","Organic & Biomolecular Chemistry","2009","7","23","4904","4917","10.1039/b911800d","","","0.71073","MoKα","","0.0788","0.0502","","","0.1427","0.1682","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150746","13.2063","0.0009","14.9874","0.001","21.3373","0.0013","81.511","0.004","88.632","0.004","66.27","0.004","3820.9","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H99 N5 O8 S2 -","- C80 H99 N5 O8 S2 -","- C160 H198 N10 O16 S4 -","2","1","","Gruber, Tobias; Fischer, Conrad; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin","Calix[4]arenes featuring a direct lower rim attachment of dansyl groups. Synthesis, fluorescence properties and first report on crystal structures","Organic & Biomolecular Chemistry","2009","7","23","4904","4917","10.1039/b911800d","","","0.71073","MoKα","","0.1352","0.0776","","","0.2178","0.2667","","","","","","1.044","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150747","18.3771","0.0005","19.9839","0.0005","18.8147","0.0005","90","","97.635","0.002","90","","6848.4","0.3","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H89 N3 O9 S2 -","- C76 H89 N3 O9 S2 -","- C304 H356 N12 O36 S8 -","4","1","","Gruber, Tobias; Fischer, Conrad; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin","Calix[4]arenes featuring a direct lower rim attachment of dansyl groups. Synthesis, fluorescence properties and first report on crystal structures","Organic & Biomolecular Chemistry","2009","7","23","4904","4917","10.1039/b911800d","","","0.71073","MoKα","","0.0997","0.0575","","","0.1509","0.1869","","","","","","1.026","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150748","14.216","0.004","54.971","0.012","13.678","0.004","90","","109.254","0.007","90","","10091","5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H105 F24 N4 O19.5 P4 S4 -","- C74 H78 F24 N4 O16 P4 S4 -","- C296 H312 F96 N16 O64 P16 S16 -","4","1","","Olson, Mark A.; Braunschweig, Adam B.; Ikeda, Taichi; Fang, Lei; Trabolsi, Ali; Slawin, Alexandra M. Z.; Khan, Saeed I.; Stoddart, J. Fraser","Thermodynamic forecasting of mechanically interlocked switches","Organic & Biomolecular Chemistry","2009","7","21","4391","4405","10.1039/B911874H","","","1.54178","CuKα","","0.2291","0.1969","","","0.5064","0.5261","","","","","","1.874","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150749","13.8934","0.0009","23.2237","0.0016","13.0531","0.0009","90","","116.262","0.001","90","","3776.9","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H76 F24 N10 O6 P4 -","- C67 H76 F24 N10 O6 P4 -","- C134 H152 F48 N20 O12 P8 -","2","0.5","","Olson, Mark A.; Braunschweig, Adam B.; Ikeda, Taichi; Fang, Lei; Trabolsi, Ali; Slawin, Alexandra M. Z.; Khan, Saeed I.; Stoddart, J. Fraser","Thermodynamic forecasting of mechanically interlocked switches","Organic & Biomolecular Chemistry","2009","7","21","4391","4405","10.1039/B911874H","","","0.71073","MoKα","","0.1083","0.0596","","","0.1323","0.1538","","","","","","1.029","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150750","10.8498","0.0008","19.3989","0.0014","13.8729","0.001","90","","106.576","0.001","90","","2798.5","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46.6 H43.4 F24 N5.8 P4 S4 -","- C46.6 H43.4 F24 N5.8 P4 S4 -","- C93.2 H86.8 F48 N11.6 P8 S8 -","2","0.5","","Olson, Mark A.; Braunschweig, Adam B.; Ikeda, Taichi; Fang, Lei; Trabolsi, Ali; Slawin, Alexandra M. Z.; Khan, Saeed I.; Stoddart, J. Fraser","Thermodynamic forecasting of mechanically interlocked switches","Organic & Biomolecular Chemistry","2009","7","21","4391","4405","10.1039/B911874H","","","0.71073","MoKα","","0.0895","0.0525","","","0.1371","0.1562","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150751","29.701","0.006","8.996","0.002","20.844","0.004","90","","109.53","0.02","90","","5249","2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetrakis(4-(4-phenyl-1,2,3-triazol-1-yl)phenyl)methane","Tetrakis(4-(4-phenyl-1,2,3-triazol-1-yl)phenyl)methane","","- C63 H54 N14 O2 -","- C63 H54 N14 O2 -","- C252 H216 N56 O8 -","4","0.5","","Plietzsch, Oliver; Schilling, Christine Inge; Tolev, Mariyan; Nieger, Martin; Richert, Clemens; Muller, Thierry; Bräse, Stefan","Four-fold click reactions: Generation of tetrahedral methane- and adamantane-based building blocks for higher-order molecular assemblies","Organic & Biomolecular Chemistry","2009","7","22","4734","4743","10.1039/b912189g","","","0.71073","MoKα","","0.1413","0.0846","","","0.197","0.2309","","","","","","1.053","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150752","21.97","0.003","21.97","0.003","6.972","0.001","90","","90","","90","","3365.3","0.8","123","2","123","2","","","","","","","","4","P -4","P -4","81","1,3,5,7-Tetrakis(4-(1-phenyl-1,2,3-triazol-4- yl)phenyl)adamantane","1,3,5,7-Tetrakis(4-(1-phenyl-1,2,3-triazol-4-yl)phenyl)adamantane","","- C70 H56 Cl12 N12 -","- C70 H56 Cl12 N12 -","- C140 H112 Cl24 N24 -","2","0.5","","Plietzsch, Oliver; Schilling, Christine Inge; Tolev, Mariyan; Nieger, Martin; Richert, Clemens; Muller, Thierry; Bräse, Stefan","Four-fold click reactions: Generation of tetrahedral methane- and adamantane-based building blocks for higher-order molecular assemblies","Organic & Biomolecular Chemistry","2009","7","22","4734","4743","10.1039/b912189g","","","0.71073","MoKα","","0.0617","0.0502","","","0.1238","0.1315","","","","","","1.058","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150753","18.728","0.001","7.137","0.001","18.265","0.001","90","","111.37","0.01","90","","2273.5","0.4","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Tetrakis(4-azidophenyl)methane","Tetrakis(4-azidophenyl)methane","","- C25 H16 N12 -","- C25 H16 N12 -","- C100 H64 N48 -","4","0.5","","Plietzsch, Oliver; Schilling, Christine Inge; Tolev, Mariyan; Nieger, Martin; Richert, Clemens; Muller, Thierry; Bräse, Stefan","Four-fold click reactions: Generation of tetrahedral methane- and adamantane-based building blocks for higher-order molecular assemblies","Organic & Biomolecular Chemistry","2009","7","22","4734","4743","10.1039/b912189g","","","0.71073","MoKα","","0.0935","0.051","","","0.1006","0.1161","","","","","","1.013","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150754","11.0349","0.0004","20.653","0.0005","11.1727","0.0005","90","","110.111","0.002","90","","2391.05","0.15","183","2","183","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C45 H53.75 N3.75 O13.75 S5 -","- C30 H20 O10 S5 -","- C60 H40 O20 S10 -","2","0.5","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Raftery, James; White, Andrew J. P.; Williams, David J.","Macrocyclic aromatic polysulfones and sulfide-sulfones: synthesis and structural characterisation of molecular pentagons and rectangles","Organic & Biomolecular Chemistry","2009","7","24","5229","5235","10.1039/b912193e","","","1.54178","CuKα","","0.0541","0.0457","","","0.1248","0.1296","","","","","","1.068","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150755","9.8261","0.0019","10.809","0.002","20.35","0.004","90","","93.555","0.016","90","","2157.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 Cl8 O9 S4 -","- C36 H24 O8 S4 -","- C72 H48 O16 S8 -","2","0.5","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Raftery, James; White, Andrew J. P.; Williams, David J.","Macrocyclic aromatic polysulfones and sulfide-sulfones: synthesis and structural characterisation of molecular pentagons and rectangles","Organic & Biomolecular Chemistry","2009","7","24","5229","5235","10.1039/b912193e","","","1.54178","CuKα","","0.0615","0.054","","","0.147","0.1512","","","","","","1.057","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150756","18.8662","0.0012","12.4037","0.0008","11.9873","0.0008","90","","97.805","0.001","90","","2779.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O5 S5 -","- C31 H24 O5 S5 -","- C124 H96 O20 S20 -","4","1","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Raftery, James; White, Andrew J. P.; Williams, David J.","Macrocyclic aromatic polysulfones and sulfide-sulfones: synthesis and structural characterisation of molecular pentagons and rectangles","Organic & Biomolecular Chemistry","2009","7","24","5229","5235","10.1039/b912193e","","","0.71073","MoKα","","0.0725","0.0572","","","0.1748","0.1856","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150757","14.5898","0.0011","23.7421","0.0019","20.4841","0.0007","90","","93.522","0.005","90","","7082.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H26 Cl2 O4 S4 -","- C36 H24 O4 S4 -","- C288 H192 O32 S32 -","8","2","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Raftery, James; White, Andrew J. P.; Williams, David J.","Macrocyclic aromatic polysulfones and sulfide-sulfones: synthesis and structural characterisation of molecular pentagons and rectangles","Organic & Biomolecular Chemistry","2009","7","24","5229","5235","10.1039/b912193e","","","1.54178","CuKα","","0.1126","0.0702","","","0.1937","0.2179","","","","","","1.077","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150758","10.0673","0.001","17.1131","0.0016","21.5403","0.0016","90","","96.428","0.007","90","","3687.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cl2 O4 S4 -","- C39 H28 O4 S4 -","- C156 H112 O16 S16 -","4","1","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Raftery, James; White, Andrew J. P.; Williams, David J.","Macrocyclic aromatic polysulfones and sulfide-sulfones: synthesis and structural characterisation of molecular pentagons and rectangles","Organic & Biomolecular Chemistry","2009","7","24","5229","5235","10.1039/b912193e","","","1.54178","CuKα","","0.0927","0.0608","","","0.1519","0.1689","","","","","","0.992","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150759","12.549","0.0005","15.0384","0.0006","19.0959","0.0007","99.51","0.002","99.578","0.002","98.598","0.002","3446.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H109 N6 O27.5 S3 -","- C54 H78 N6 O27.5 S3 -","- C108 H156 N12 O55 S6 -","2","1","","Mateus, Pedro; Delgado, Rita; Brandão, Paula; Carvalho, Sílvia; Félix, Vítor","Selective recognition of tetrahedral dianions by a hexaaza cryptand receptor","Organic & Biomolecular Chemistry","2009","7","22","4661","4673","10.1039/b912940e","","","0.71073","MoKα","","0.1114","0.0761","","","0.2188","0.251","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150760","5.8725","0.0014","10.826","0.003","14.459","0.003","74.694","0.004","88.672","0.004","85.198","0.004","883.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","tert-butyl 3-methyl-6-((((4-nitrophenyl)carbonyl)oxy)methyl)- 1,2-oxazinane-2-carboxylate","tert-butyl 3-methyl-6- ({[(4-nitrophenyl)carbonyl]oxy}methyl)-1,2-oxazinane- 2-carboxylate","","- C18 H22 N2 O7 -","- C18 H22 N2 O7 -","- C36 H44 N4 O14 -","2","1","","Bollans, Lee; Bacsa, John; Iggo, Jonathan A.; Morris, Gareth A.; Stachulski, Andrew V.","The acyl nitroso Diels‒Alder (ANDA) reaction of sorbate derivatives: an X-ray and 15N NMR study with an application to amino-acid synthesis","Organic & Biomolecular Chemistry","2009","7","21","4531","4538","10.1039/b912963d","","","0.71073","MoKα","","0.045","0.0386","","","0.1029","0.1056","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150761","5.6187","0.001","17.695","0.003","12.511","0.002","90","","102.957","0.003","90","","1212.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(6-methyl-2-oxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione","2-(6-methyl-2-oxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Bollans, Lee; Bacsa, John; Iggo, Jonathan A.; Morris, Gareth A.; Stachulski, Andrew V.","The acyl nitroso Diels‒Alder (ANDA) reaction of sorbate derivatives: an X-ray and 15N NMR study with an application to amino-acid synthesis","Organic & Biomolecular Chemistry","2009","7","21","4531","4538","10.1039/b912963d","","","0.71073","MoKα","","0.0722","0.049","","","0.1015","0.1088","","","","","","1.094","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150762","10.823","0.0018","6.4408","0.0011","25.686","0.004","90","","100.893","0.003","90","","1758.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 O4 -","- C16 H18 Cl N3 O4 -","- C64 H72 Cl4 N12 O16 -","4","1","","Liu, Xu-Guang; Wei, Yin; Shi, Min","The reaction of acyl cyanides with “Huisgen zwitterion”: an interesting rearrangement involving ester group migration between oxygen and nitrogen atoms","Organic & Biomolecular Chemistry","2009","7","22","4708","4714","10.1039/b913196e","","","0.71073","MoKα","","0.0695","0.0457","","","0.1049","0.1144","","","","","","0.95","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150763","7.5749","0.0013","12.355","0.002","12.896","0.002","99.071","0.003","102.604","0.003","106.451","0.003","1098.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N3 O7 -","- C19 H25 N3 O7 -","- C38 H50 N6 O14 -","2","1","","Liu, Xu-Guang; Wei, Yin; Shi, Min","The reaction of acyl cyanides with “Huisgen zwitterion”: an interesting rearrangement involving ester group migration between oxygen and nitrogen atoms","Organic & Biomolecular Chemistry","2009","7","22","4708","4714","10.1039/b913196e","","","0.71073","MoKα","","0.1196","0.0579","","","0.1325","0.1559","","","","","","0.85","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150764","11.839","0.002","10.8146","0.0018","21.529","0.004","90","","99.293","0.002","90","","2720.3","0.8","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Br Cl F4 N3 O4 S -","- C26 H20 Br Cl F4 N3 O4 S -","- C104 H80 Br4 Cl4 F16 N12 O16 S4 -","4","1","","Yu, Xingxin; Yang, Xiaodi; Wu, Jie","Multicatalytic tandem reaction of N′-(2-alkynylbenzylidene)hydrazide with indole","Organic & Biomolecular Chemistry","2009","7","21","4526","4530","10.1039/b913409c","","","0.71073","MoKα","","0.0663","0.041","","","0.1018","0.1151","","","","","","1.015","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150765","10.501","0.001","14.348","0.0014","14.699","0.0014","112.084","0.001","90.477","0.001","104.196","0.001","1977","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","FRB961","","","- C24 H28 O5 -","- C24 H28 O5 -","- C96 H112 O20 -","4","2","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","0.71073","MoKα","","0.0583","0.0502","","","0.1287","0.1345","","","","","","1.021","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150766","10.2829","0.0005","13.7839","0.0007","13.8591","0.0008","90","","109.118","0.002","90","","1856.02","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C92 H96 O16 -","4","1","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","1.54178","CuKα","","0.0414","0.038","","","0.1066","0.1092","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150767","10.9193","0.0004","12.83","0.0005","13.3814","0.0005","90","","105.65","0.002","90","","1805.16","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","1.54178","CuKα","","0.0422","0.0343","","","0.0864","0.0916","","","","","","1.003","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150768","8.0045","0.0002","13.2751","0.0004","16.4708","0.0005","90","","92.417","0.001","90","","1748.64","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","1.54178","CuKα","","0.0322","0.0315","","","0.0739","0.0744","","","","","","1.043","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150769","7.6777","0.0004","12.8146","0.0008","33.0175","0.0018","90","","90","","90","","3248.5","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C152 H192 O32 -","8","1","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","1.54178","CuKα","","0.0593","0.0396","","","0.0951","0.1051","","","","","","1.014","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150770","9.8298","0.0005","9.8418","0.0004","20.5815","0.0009","89.13","0.003","89.002","0.004","67.618","0.003","1840.76","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","2","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","1.54178","CuKα","","0.0783","0.064","","","0.1547","0.1654","","","","","","1.083","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150771","9.8106","0.0007","10.1395","0.0008","12.1918","0.0009","106.477","0.001","93.962","0.001","92.828","0.001","1157.17","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H35 N O4 -","- C28 H35 N O4 -","- C56 H70 N2 O8 -","2","1","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","0.71073","MoKα","","0.053","0.0468","","","0.1261","0.1308","","","","","","1.095","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150772","5.6114","0.0004","11.6946","0.0009","25.505","0.002","90","","90","","90","","1673.7","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C76 H80 O12 S4 -","4","1","","Stalford, Susanne A.; Kilner, Colin A.; Leach, Andrew G.; Turnbull, W. Bruce","Neighbouring group participation vs. addition to oxacarbenium ions: studies on the synthesis of mycobacterial oligosaccharides","Organic & Biomolecular Chemistry","2009","7","23","4842","4852","10.1039/b914417j","","","0.71073","MoKα","","0.0626","0.0437","","","0.0972","0.1051","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150773","10.4694","0.0005","8.8437","0.0004","17.8168","0.0008","90","","93.3313","0.0005","90","","1646.84","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 I O7 S -","- C14 H15 I O7 S -","- C56 H60 I4 O28 S4 -","4","1","","Stoffman, Elia J. L.; Clive, Derrick L. J.","The coumarin→indole transformation—a method for preparing 4-halo-5-hydroxyindoles from coumarins","Organic & Biomolecular Chemistry","2009","7","23","4862","4870","10.1039/b914580j","","","0.71073","MoKα","","0.0208","0.0195","","","0.0494","0.0504","","","","","","1.047","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150774","17.53","0.003","14.759","0.003","14.559","0.003","90","","90","","90","","3766.8","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Cl N O2 -","- C22 H20 Cl N O2 -","- C176 H160 Cl8 N8 O16 -","8","1","","Jiang, Huanfeng; Mai, Ronghuan; Cao, Hua; Zhu, Qiuhua; Liu, Xiaohang","l-Proline-catalyzed synthesis of highly functionalized multisubstituted 1,4-dihydropyridines","Organic & Biomolecular Chemistry","2009","7","23","4943","4953","10.1039/b914659h","","","0.71073","MoKα","","0.1059","0.0663","","","0.209","0.2385","","","","","","1.147","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150775","8.894","0.0001","15.573","0.0002","26.723","0.0004","106.777","0.001","95.504","0.001","92.328","0.001","3518.35","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H26 N2 O2 S -","- C17 H26 N2 O2 S -","- C136 H208 N16 O16 S8 -","8","4","","Butters, Michael; Davies, Christopher D.; Elliott, Mark C.; Hill-Cousins, Joseph; Kariuki, Benson M.; Ooi, Li-ling; Wood, John L.; Wordingham, Stuart V.","Synthesis and stereochemical determination of batzelladine C methyl ester","Organic & Biomolecular Chemistry","2009","7","23","5001","5009","10.1039/b914744f","","","0.71073","MoKα","","0.1367","0.0805","","","0.1641","0.1875","","","","","","1.023","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150776","8.8875","0.0003","9.6663","0.0003","11.175","0.0003","84.792","0.001","76.137","0.001","67.11","0.001","858.67","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Br Cl N O3 -","- C17 H17 Br Cl N O3 -","- C34 H34 Br2 Cl2 N2 O6 -","2","1","","Guo, Zhenqiu; Shi, Taoda; Jiang, Jun; Yang, Liping; Hu, Wenhao","Component match in rhodium catalyzed three-component reactions of ethyl diazoacetate, H2O and aryl imines: a highly diastereoselective one-step synthesis of β-aryl isoserine derivatives","Organic & Biomolecular Chemistry","2009","7","23","5028","5033","10.1039/b915013g","","","0.71073","MoKα","","0.0337","0.0308","","","0.0811","0.0836","","","","","","1.056","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150777","10.8497","0.0012","17.4399","0.0018","16.2784","0.0017","90","","98.769","0.003","90","","3044.2","0.6","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(E)-1,3-bis(4-bromobenzyl)-2-(3-methoxy-2-methyl-3-oxo-1- (phenylamino)prop-1-enyl)-1H-benzo(d)imidazol-3-ium tetrafluoroborate","","","- C32 H28 B Br2 F4 N3 O2 -","- C32 H28 B Br2 F4 N3 O2 -","- C128 H112 B4 Br8 F16 N12 O8 -","4","1","","Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying","Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles","Organic & Biomolecular Chemistry","2009","7","23","5010","5019","10.1039/b915215f","","","0.7107","MoKα","","0.0618","0.0442","","","0.0963","0.1051","","","","","","1.035","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150778","9.9376","0.001","13.3618","0.0014","14.33","0.0016","68.67","0.008","73.901","0.009","72.586","0.008","1660.6","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","(E)-ethyl 2'-(1-methoxy-1-oxopropan-2-ylidene)-1,3-bis(4- methylbenzyl)-1'-phenyl-1,1',2',3-tetrahydrospiro(benzo(d)imidazole- 2,3'-pyrrole)-4'-carboxylate","","","- C39 H39 N3 O4 -","- C39 H39 N3 O4 -","- C78 H78 N6 O8 -","2","1","","Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying","Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles","Organic & Biomolecular Chemistry","2009","7","23","5010","5019","10.1039/b915215f","","","0.7107","MoKα","","0.1009","0.0764","","","0.2208","0.2439","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150779","9.3172","0.0001","21.0352","0.0002","17.9002","0.0002","90","","96.187","0.001","90","","3487.81","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-methyl 2-((E)-1,3-bis(4-bromobenzyl)-4'-ethyl-5'-(2- methoxy-2-oxoethylidene)-1'-phenyl-1,3-dihydrospiro(benzo(d)imidazole- 2,3'-pyrrolidine)-2'-ylidene)propanoate","","","- C39 H37 Br2 N3 O4 -","- C39 H37 Br2 N3 O4 -","- C156 H148 Br8 N12 O16 -","4","1","","Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying","Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles","Organic & Biomolecular Chemistry","2009","7","23","5010","5019","10.1039/b915215f","","","0.71073","MoKα","","0.0679","0.044","","","0.1112","0.1235","","","","","","1.015","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150780","7.7608","0.0016","18.522","0.004","26.266","0.005","90","","94.7","0.03","90","","3762.9","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(E)-methyl 1,3-bis(4-bromobenzyl)-2'-(1-methoxy-1-oxopropan-2- ylidene)-5'-phenethyl-1'-phenyl-1,1',2',3- tetrahydrospiro(benzo(d)imidazole-2,3'-pyrrole)-4'-carboxylate","","","- C44 H39 Br2 N3 O4 -","- C44 H39 Br2 N3 O4 -","- C176 H156 Br8 N12 O16 -","4","1","","Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying","Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles","Organic & Biomolecular Chemistry","2009","7","23","5010","5019","10.1039/b915215f","","","0.71073","MoKα","","0.0468","0.0379","","","0.092","0.0981","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150781","11.8253","0.0019","18.626","0.003","15.232","0.002","90","","92.81","0.003","90","","3350.9","0.9","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(6E,8E)-methyl 6-(1-methoxy-1-oxopropan-2-ylidene)-7-(4- methoxyphenyl)-1,3,4-triphenyl-8-propylidene-1,2,4,7- tetraazaspiro(4.4)non-2-ene-9-carboxylate","","","- C39 H38 N4 O5 -","- C39 H38 N4 O5 -","- C156 H152 N16 O20 -","4","1","","Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying","Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles","Organic & Biomolecular Chemistry","2009","7","23","5010","5019","10.1039/b915215f","","","0.7107","MoKα","","0.0632","0.0494","","","0.1193","0.1289","","","","","","1.056","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150782","9.2415","0.0009","20.801","0.002","17.049","0.0016","90","","92.631","0.004","90","","3273.9","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(R,E)-methyl 6-(1-methoxy-1-oxopropan-2-ylidene)-7-(4- methoxyphenyl)-1,3,4-triphenyl-8-propyl-1,2,4,7-tetraazaspiro(4.4)nona- 2,8-diene-9-carboxylate","","","- C39 H38 N4 O5 -","- C39 H38 N4 O5 -","- C156 H152 N16 O20 -","4","1","","Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying","Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles","Organic & Biomolecular Chemistry","2009","7","23","5010","5019","10.1039/b915215f","","","0.7107","MoKα","","0.0596","0.0466","","","0.1108","0.118","","","","","","1.059","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150783","5.8116","0.0002","16.782","0.0006","24.6525","0.0009","90","","90","","90","","2404.37","0.15","100","2","100","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C12 H6 Cl I N2 S -","- C12 H6 Cl I N2 S -","- C96 H48 Cl8 I8 N16 S8 -","8","1","","Snégaroff, Katia; Lassagne, Frédéric; Bentabed-Ababsa, Ghenia; Nassar, Ekhlass; Ely, Sidaty Cheikh Sid; Hesse, Stéphanie; Perspicace, Enrico; Derdour, Aïcha; Mongin, Florence","Direct metallation of thienopyrimidines using a mixed lithium‒cadmium base and antitumor activity of functionalized derivatives","Organic & Biomolecular Chemistry","2009","7","22","4782","","10.1039/b915274a","","x-ray","0.71073","MoKα","","0.0296","0.0252","","","0.0495","0.0517","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150784","9.763","0.006","14.702","0.01","7.816","0.005","90","","108.886","0.01","90","","1061.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N O4 -","- C9 H17 N O4 -","- C36 H68 N4 O16 -","4","1","","March-Cortijos, Andrea; Snape, Timothy J.","Towards a chemo-enzymatic method for the asymmetric synthesis of β-amino tertiary alcohols","Organic & Biomolecular Chemistry","2009","7","24","5163","5165","10.1039/b916013b","","","0.71073","MoKα","","0.2039","0.1069","","","0.113","0.1379","","","","","","1.095","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150785","9.2759","0.0013","14.318","0.002","7.9435","0.0011","90","","110.024","0.003","90","","991.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C36 H60 N4 O16 -","4","1","","March-Cortijos, Andrea; Snape, Timothy J.","Towards a chemo-enzymatic method for the asymmetric synthesis of β-amino tertiary alcohols","Organic & Biomolecular Chemistry","2009","7","24","5163","5165","10.1039/b916013b","","","0.71073","MoKα","","0.0772","0.0438","","","0.0718","0.0787","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150786","38.9473","0.0004","14.4159","0.0001","39.1396","0.0004","90","","110.841","0.0003","90","","20537.5","0.3","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H155 Cl5 P10 Pt5 -","- C80 H155 Cl5 P10 Pt5 -","- C640 H1240 Cl40 P80 Pt40 -","8","2","","Maag, Roman; Northrop, Brian H.; Butterfield, Anna; Linden, Anthony; Zerbe, Oliver; Lee, Young Min; Chi, Ki-Whan; Stang, Peter J.; Siegel, Jay S.","Synthesis and X-ray structural analysis of platinum and ethynyl-platinum corannulenes: supramolecular tectons","Organic & Biomolecular Chemistry","2009","7","23","4881","4885","10.1039/b916020e","","","0.71073","MoKα","","0.0986","0.0658","","","0.1225","0.1334","","","","","","1.138","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150787","31.0338","0.0002","33.4144","0.0002","8.0692","0.0001","90","","90","","90","","8367.57","0.13","160","1","160","1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C52 H90 B22 Br12 N2 P4 Pt2 -","- C52 H90 B22 Br12 N2 P4 Pt2 -","- C208 H360 B88 Br48 N8 P16 Pt8 -","4","1","","Maag, Roman; Northrop, Brian H.; Butterfield, Anna; Linden, Anthony; Zerbe, Oliver; Lee, Young Min; Chi, Ki-Whan; Stang, Peter J.; Siegel, Jay S.","Synthesis and X-ray structural analysis of platinum and ethynyl-platinum corannulenes: supramolecular tectons","Organic & Biomolecular Chemistry","2009","7","23","4881","4885","10.1039/b916020e","","","0.71073","MoKα","","0.0794","0.0683","","","0.1763","0.1864","","","","","","1.025","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150788","20.7278","0.0002","14.8192","0.0001","22.0662","0.0002","90","","115.237","0.0006","90","","6131.09","0.1","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H73.5 Cl4.5 I2 P4 Pt2 -","- C50 H72 I2 P4 Pt2 -","- C200 H288 I8 P16 Pt8 -","4","1","","Maag, Roman; Northrop, Brian H.; Butterfield, Anna; Linden, Anthony; Zerbe, Oliver; Lee, Young Min; Chi, Ki-Whan; Stang, Peter J.; Siegel, Jay S.","Synthesis and X-ray structural analysis of platinum and ethynyl-platinum corannulenes: supramolecular tectons","Organic & Biomolecular Chemistry","2009","7","23","4881","4885","10.1039/b916020e","","","0.71073","MoKα","","0.0884","0.0782","","","0.2167","0.225","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150789","9.729","0.002","10.168","0.002","18.965","0.004","90","","90","","90","","1876.1","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Jennings, W. Brian; McCarthy, Noel J. P.; Kelly, Padraig; Malone, John F.","Topically resolved intramolecular CH-π interactions in phenylalanine derivatives","Organic & Biomolecular Chemistry","2009","7","24","5156","5162","10.1039/b916021n","","","0.71073","MoKα","","0.0359","0.031","","","0.0779","0.0802","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150790","9.094","0.002","11.642","0.003","9.371","0.002","90","","91.37","0.004","90","","991.8","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C46 H40 N4 O10 -","2","1","","Jennings, W. Brian; McCarthy, Noel J. P.; Kelly, Padraig; Malone, John F.","Topically resolved intramolecular CH-π interactions in phenylalanine derivatives","Organic & Biomolecular Chemistry","2009","7","24","5156","5162","10.1039/b916021n","","","0.71073","MoKα","","0.0323","0.0295","","","0.0752","0.077","","","","","","1.064","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150791","9.212","0.002","10.822","0.003","19.309","0.005","90","","90","","90","","1925","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Jennings, W. Brian; McCarthy, Noel J. P.; Kelly, Padraig; Malone, John F.","Topically resolved intramolecular CH-π interactions in phenylalanine derivatives","Organic & Biomolecular Chemistry","2009","7","24","5156","5162","10.1039/b916021n","","","0.71073","MoKα","","0.0414","0.035","","","0.0824","0.0851","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150792","5.6393","0.0002","11.9631","0.0004","38.0483","0.0013","90","","90","","90","","2566.87","0.15","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C128 H88 N24 O8 -","8","2","","Tran, Tuan P.; Patel, Nandini; Samas, Brian; Schwarz, Jacob B.","Robust preparation of novel imidazo[5,1-b][1,3,4]oxadiazoles","Organic & Biomolecular Chemistry","2009","7","24","5063","5066","10.1039/b916188k","","","1.54178","CuKα","","0.0464","0.0385","","","0.0943","0.1001","","","","","","1.02","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150793","7.0096","0.0002","7.1705","0.0003","13.765","0.0005","104.93","0.002","92.086","0.002","98.384","0.002","659.38","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C28 H24 N8 O6 -","2","1","","Tran, Tuan P.; Patel, Nandini; Samas, Brian; Schwarz, Jacob B.","Robust preparation of novel imidazo[5,1-b][1,3,4]oxadiazoles","Organic & Biomolecular Chemistry","2009","7","24","5063","5066","10.1039/b916188k","","","1.54178","CuKα","","0.048","0.0422","","","0.1275","0.1337","","","","","","1.606","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150794","8.681","0.001","9.784","0.001","24.875","0.003","90","","90","","90","","2112.8","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Diethyl-1-(2-(5-(alloyoxy)-2,4-dimethoxyphenyl)-1-oxopropan-2- yl)hydrazine-1,2-dicarboxylate","Diethyl-1-(2-(5-(alloyoxy)-2,4-dimethoxyphenyl)-1-oxopropan-2-yl)hydrazine- 1,2-dicarboxylate","","- C20 H28 N2 O8 -","- C20 H28 N2 O8 -","- C80 H112 N8 O32 -","4","1","","Hartmann, Caroline E.; Gross, Patrick J.; Nieger, Martin; Bräse, Stefan","Towards an asymmetric synthesis of the bacterial peptide deformylase (PDF) inhibitor fumimycin","Organic & Biomolecular Chemistry","2009","7","24","5059","5062","10.1039/b916372g","","","0.71073","MoKα","","0.0421","0.0364","","","0.0837","0.0867","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150795","8.771","0.003","9.743","0.003","26.204","0.009","90","","90","","90","","2239.3","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C96 H120 N16 O16 -","4","1","","Jiang, Jun; Chen, Xiaohong; Wang, Jun; Hui, Yonghai; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Chiral biphenylamide derivative: an efficient organocatalyst for the enantioselective synthesis of α-hydroxy phosphonates","Organic & Biomolecular Chemistry","2009","7","21","4355","4357","10.1039/b917554g","","","0.71073","MoKα","","0.1969","0.0506","","","0.1054","0.1402","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150796","5.07959","0.00013","16.8946","0.0004","27.9131","0.0007","78.308","0.0014","89.999","0.0014","81.384","0.0014","2318.12","0.1","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","2","","Ando, Kumiko; Kawamura, Yoko; Akai, Yukiko; Kunitomo, Jun-ichi; Yokomizo, Takehiko; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka","Preparation of 2-, 3-, 4- and 7-(2-alkylcarbamoyl-1-alkylvinyl)benzo[b]furans and their BLT1 and/or BLT2 inhibitory activities","Organic & Biomolecular Chemistry","2008","6","2","296","307","10.1039/b710935k","","","1.54187","CuKα","","","0.0355","","","","0.0986","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150797","33.4101","0.0008","5.07911","0.00013","27.9188","0.0007","90","","101.832","0.0014","90","","4637","0.2","296.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C200 H224 N16 O48 -","8","1","","Ando, Kumiko; Kawamura, Yoko; Akai, Yukiko; Kunitomo, Jun-ichi; Yokomizo, Takehiko; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka","Preparation of 2-, 3-, 4- and 7-(2-alkylcarbamoyl-1-alkylvinyl)benzo[b]furans and their BLT1 and/or BLT2 inhibitory activities","Organic & Biomolecular Chemistry","2008","6","2","296","307","10.1039/b710935k","","","1.54187","CuKα","","","0.0448","","","","0.17","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150798","10.2817","0.0001","10.6027","0.0001","11.7395","0.0002","64.164","0.001","86.195","0.001","73.578","0.001","1102.46","0.03","","","293","2","","","","","","","Homologous Wittig-type reaction of alpha-phosphonoalkanoate anion with epoxide","4","P -1","-P 1","2","","Dicyclohexylammoinum (1S*,2R*)-1-Benzyl-2-methyl- cyclopropanecarboxylate","","- C24 H37 N O2 -","- C24 H37 N O2 -","- C48 H74 N2 O4 -","2","1","","Krawczyk, Henryk; Wąsek, Katarzyna; Kędzia, Jacek; Wojciechowski, Jakub; Wolf, Wojciech M.","A general stereoselective method for the synthesis of cyclopropanecarboxylates. A new version of the homologous Horner‒Wadsworth‒Emmons reaction","Organic & Biomolecular Chemistry","2008","6","2","308","318","10.1039/b712145h","","","","","","0.0499","0.048","","","0.1374","0.1401","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150799","8.068","0.0002","10.874","0.0002","19.198","0.0005","105.27","0.001","98.082","0.001","98.075","0.001","1580.65","0.06","150","2","150","2","","","","","","","Synthesized","4","P -1","-P 1","2","Nitro-Bn-iPr-nPr-Ester","","","- C35 H35 N3 O9 -","- C35 H35 N3 O9 -","- C70 H70 N6 O18 -","2","1","","Plante, Jeffrey; Campbell, Fred; Malkova, Barbora; Kilner, Colin; Warriner, Stuart L.; Wilson, Andrew J.","Synthesis of functionalised aromatic oligamide rods","Organic & Biomolecular Chemistry","2008","6","1","138","146","10.1039/b712606a","","x-ray","0.71073","MoKα","","0.0866","0.049","","","0.125","0.1638","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150800","11.961","0.005","19.647","0.005","9.048","0.005","90","","94.251","0.005","90","","2120.4","1.6","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H25 N3 O3 -","- C23 H25 N3 O3 -","- C92 H100 N12 O12 -","4","1","","Korotkikh, Nikolai I.; Cowley, Alan H.; Moore, Jennifer A.; Glinyanaya, Nataliya V.; Panov, Ilia S.; Rayenko, Gennady F.; Pekhtereva, Tatyana M.; Shvaika, Oles P.","Reaction of 1-tert-butyl-3,4-diphenyl-1,2,4-triazol-5-ylidenes with a malonic ester","Organic & Biomolecular Chemistry","2008","6","1","195","199","10.1039/b712885a","","","0.71073","MoKα","","0.2404","0.0646","","","0.1139","0.1718","","","","","","0.967","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150801","17.3668","0.0007","11.4423","0.0003","23.2936","0.0009","90","","108.973","0.0017","90","","4377.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H56 O6 -","- C54 H56 O6 -","- C216 H224 O24 -","4","1","","Barton, Olaf G.; Neumann, B.; Stammler, H.-G.; Mattay, Jochen","Intramolecular direct arylation in an A,C-functionalized calix[4]arene","Organic & Biomolecular Chemistry","2008","6","1","104","111","10.1039/b713357j","","","0.71073","MoKα","","0.0971","0.0563","","","0.1232","0.1447","","","","","","1.01","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150802","11.5936","0.0002","11.6506","0.0003","17.2247","0.0003","73.0552","0.0011","75.3562","0.0013","77.6072","0.0012","2128.17","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H56 O6 -","- C54 H56 O6 -","- C108 H112 O12 -","2","1","","Barton, Olaf G.; Neumann, B.; Stammler, H.-G.; Mattay, Jochen","Intramolecular direct arylation in an A,C-functionalized calix[4]arene","Organic & Biomolecular Chemistry","2008","6","1","104","111","10.1039/b713357j","","","0.71073","MoKα","","0.1005","0.0526","","","0.1122","0.1271","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150803","8.7674","0.0009","9.3303","0.0009","31.529","0.003","90","","90","","90","","2579.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dicobalt hexacarbonyl 5-((1-hydroxycyclohexyl)ethynyl)-2'- deoxyuridine","Dicobalt hexacarbonyl 5-[(1-hydroxycyclohexyl)ethynyl]-2'-deoxyuridine","","- C23 H22 Co2 N2 O12 -","- C23 H22 Co2 N2 O12 -","- C92 H88 Co8 N8 O48 -","4","1","","Sergeant, Craig D.; Ott, Ingo; Sniady, Adam; Meneni, Srinivasarao; Gust, Ronald; Rheingold, Arnold L.; Dembinski, Roman","Metallo-nucleosides: synthesis and biological evaluation of hexacarbonyl dicobalt 5-alkynyl-2′-deoxyuridines","Organic & Biomolecular Chemistry","2008","6","1","73","80","10.1039/b713371e","","","0.71073","MoKα","","0.0431","0.0362","","","0.076","0.0786","","","","","","1.026","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150804","9.5122","0.0005","13.5695","0.0007","9.9716","0.0005","90","","106.4","0.002","90","","1234.73","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C60 H60 N12 -","4","1","","Johnston, Karen A.; Allcock, Robert W.; Jiang, Zhong; Collier, Ian D.; Blakli, Haakon; Rosair, Georgina M.; Bailey, Patrick D.; Morgan, Keith M.; Kohno, Yasushi; Adams, David R.","Concise routes to pyrazolo[1,5-a]pyridin-3-yl pyridazin-3-ones","Organic & Biomolecular Chemistry","2008","6","1","175","186","10.1039/b713638b","","","0.71073","MoKα","","0.0454","0.0382","","","0.1076","0.1132","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150805","8.176","0.0005","23.3585","0.0015","9.0849","0.0005","90","","95.397","0.002","90","","1727.33","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C84 H88 N16 O4 -","4","1","","Johnston, Karen A.; Allcock, Robert W.; Jiang, Zhong; Collier, Ian D.; Blakli, Haakon; Rosair, Georgina M.; Bailey, Patrick D.; Morgan, Keith M.; Kohno, Yasushi; Adams, David R.","Concise routes to pyrazolo[1,5-a]pyridin-3-yl pyridazin-3-ones","Organic & Biomolecular Chemistry","2008","6","1","175","186","10.1039/b713638b","","","0.71073","MoKα","","0.0519","0.0425","","","0.11","0.1163","","","","","","1.012","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150806","8.9123","0.0006","10.1067","0.0007","19.3558","0.0014","90","","90.98","0.002","90","","1743.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O -","- C21 H20 N4 O -","- C84 H80 N16 O4 -","4","1","","Johnston, Karen A.; Allcock, Robert W.; Jiang, Zhong; Collier, Ian D.; Blakli, Haakon; Rosair, Georgina M.; Bailey, Patrick D.; Morgan, Keith M.; Kohno, Yasushi; Adams, David R.","Concise routes to pyrazolo[1,5-a]pyridin-3-yl pyridazin-3-ones","Organic & Biomolecular Chemistry","2008","6","1","175","186","10.1039/b713638b","","","0.71073","MoKα","","0.0751","0.0415","","","0.0823","0.1009","","","","","","0.993","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150807","5.2709","0.0012","16.736","0.004","12.148","0.003","90","","97.432","0.004","90","","1062.6","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H28 N4 O9 S -","- C16 H28 N4 O9 S -","- C32 H56 N8 O18 S2 -","2","1","","Christensen, Mikkel S.; Bond, Andrew D.; Nielsen, Poul","Synthetic nucleic acid secondary structures containing the four stereoisomers of 1,4-bis(thymine-1-yl)butane-2,3-diol","Organic & Biomolecular Chemistry","2008","6","1","81","91","10.1039/b713888a","","","0.71073","MoKα","","0.0564","0.0488","","","0.132","0.138","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150808","5.224","0.002","9.313","0.004","12.558","0.006","101.76","0.03","91.68","0.03","105","0.03","575.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N4 O8 S2 -","- C18 H30 N4 O8 S2 -","- C18 H30 N4 O8 S2 -","1","0.5","","Christensen, Mikkel S.; Bond, Andrew D.; Nielsen, Poul","Synthetic nucleic acid secondary structures containing the four stereoisomers of 1,4-bis(thymine-1-yl)butane-2,3-diol","Organic & Biomolecular Chemistry","2008","6","1","81","91","10.1039/b713888a","","","0.75","synchrotron","","0.1272","0.1169","","","0.2928","0.3156","","","","","","3.024","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150809","12.1762","0.0002","17.4387","0.0002","20.106","0.0001","80.239","0.001","73.766","0.001","73.137","0.001","3904.56","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","in paper 2c","","","- C35 H25 N O -","- C35 H25 N O -","- C210 H150 N6 O6 -","6","3","","D'Souza, Daniel M.; Liao, Wei-Wei; Rominger, Frank; Müller, Thomas J. J.","Dichotomies in microwave-assisted propargyl-isomerization‒Claisen domino sequences dependent on base strengths","Organic & Biomolecular Chemistry","2008","6","3","532","539","10.1039/b714351f","","","0.71073","MoKα","","0.0792","0.049","","","0.1072","0.1238","","","","","","1.026","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150810","8.519","0.0002","12.585","0.0003","10.241","0.0001","73.057","0.0011","86.768","0.0012","98.877","0.0009","1031.73","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","in paper 5e","","","- C29 H24 O -","- C29 H24 O -","- C58 H48 O2 -","2","1","","D'Souza, Daniel M.; Liao, Wei-Wei; Rominger, Frank; Müller, Thomas J. J.","Dichotomies in microwave-assisted propargyl-isomerization‒Claisen domino sequences dependent on base strengths","Organic & Biomolecular Chemistry","2008","6","3","532","539","10.1039/b714351f","","","0.71073","MoKα","","0.084","0.0484","","","0.1122","0.1307","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150811","15.348","0.002","8.806","0.001","22.612","0.004","90","","109.831","0.003","90","","2874.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","in paper 2a","","","- C37 H31 N O4 -","- C37 H31 N O4 -","- C148 H124 N4 O16 -","4","1","","D'Souza, Daniel M.; Liao, Wei-Wei; Rominger, Frank; Müller, Thomas J. J.","Dichotomies in microwave-assisted propargyl-isomerization‒Claisen domino sequences dependent on base strengths","Organic & Biomolecular Chemistry","2008","6","3","532","539","10.1039/b714351f","","","0.71073","MoKα","","0.0685","0.048","","","0.1073","0.1164","","","","","","1.043","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150812","15.277","0.003","37.64","0.008","7.251","0.002","90","","90","","90","","4169.5","1.7","200","2","200","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","in paper 11f","","","- C29 H24 O2 -","- C29 H24 O2 -","- C232 H192 O16 -","8","1","","D'Souza, Daniel M.; Liao, Wei-Wei; Rominger, Frank; Müller, Thomas J. J.","Dichotomies in microwave-assisted propargyl-isomerization‒Claisen domino sequences dependent on base strengths","Organic & Biomolecular Chemistry","2008","6","3","532","539","10.1039/b714351f","","","0.71073","MoKα","","0.0848","0.0612","","","0.1327","0.1415","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150813","9.82","0.03","9.82","0.03","16.09","0.03","90","","101.08","0.16","90","","1523","7","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","'N-((1S, 3S)-2,2-dichloro-1,3-dimethylcyclopropanecarbonyl)- (1S)-1-phenylethylam","","","- C14 H17 Cl2 N O -","- C14 H17 Cl2 N O -","- C56 H68 Cl8 N4 O4 -","4","2","","Yasukochi, Hiroaki; Atago, Takayuki; Tanaka, Akihiro; Nakatsuji, Hidefumi; Yoshida, Eri; Kakehi, Akikazu; Nishii, Yoshinori; Tanabe, Yoo","Practical, general, and systematic method for optical resolution of gem-dihalo- and monohalocyclopropanecarboxylic acids utilizing chiral 1,1′-binaphtholmonomethyl ethers: Application to the synthesis of three chiral pesticides","Organic & Biomolecular Chemistry","2008","6","3","540","547","10.1039/b714614k","","","0.71069","MoKα","","","0.0601","","","","0.2149","","","","","","0.955","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150814","14.5931","0.0006","21.5413","0.0008","8.0149","0.0003","90","","90","","90","","2519.52","0.17","0","2","0","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H30 N2 O3 S2 -","- C28 H30 N2 O3 S2 -","- C112 H120 N8 O12 S8 -","4","1","","Cheruku, Pradeep; Paptchikhine, Alexander; Ali, Muhammad; Neudörfl, Jörg-M.; Andersson, Pher G.","Development of new thiazole-based iridium catalysts and their applications in the asymmetric hydrogenation of trisubstituted olefins","Organic & Biomolecular Chemistry","2008","6","2","366","373","10.1039/b714744a","","","0.71073","MoKα","","0.0748","0.0465","","","0.0861","0.0939","","","","","","0.99","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150815","8.43","0.001","16.304","0.001","20.801","0.001","90","","90","","90","","2858.9","0.4","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H46 O5 Si -","- C28 H46 O5 Si -","- C112 H184 O20 Si4 -","4","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.71073","MoKα","","0.0655","0.0417","","","0.098","0.1255","","","","","","1.135","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150816","10.819","0.0004","5.371","0.0001","15.64","0.0005","90","","102.809","0.0016","90","","886.21","0.05","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.71073","MoKα","","0.0708","0.0603","","","0.1606","0.1765","","","","","","1.098","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150817","7.8054","0.0005","10.1991","0.0009","14.3886","0.0006","90","","90","","90","","1145.45","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.6884","Synchrotron","","0.0506","0.0436","","","0.1078","0.1104","","","","","","1.143","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150818","8.04","0.003","16.929","0.003","19.604","0.003","90","","90","","90","","2668.3","1.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 O5 Si -","- C26 H44 O5 Si -","- C104 H176 O20 Si4 -","4","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.71073","MoKα","","0.0741","0.046","","","0.1233","0.1699","","","","","","1.246","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150819","7.72","0.004","6.415","0.003","12.126","0.005","90","","96.616","0.011","90","","596.5","0.5","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C26 H32 O8 -","2","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.6891","Synchrotron","","0.0603","0.0455","","","0.1179","0.12","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150820","14.3428","0.0007","14.3428","0.0007","8.9246","0.0004","90","","90","","120","","1589.96","0.13","150","2","150","2","","","","","","","","3","P 63","P 6c","173","","","","- C11 H16 O4 -","- C11 H16 O4 -","- C66 H96 O24 -","6","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.6884","Synchrotron","","0.0345","0.0325","","","0.0869","0.0875","","","","","","1.191","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150821","8.279","0.003","8.724","0.003","9.245","0.004","97.164","0.008","94.153","0.008","116.289","0.008","587.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 Mg O10 -","- C22 H30 Mg O10 -","- C22 H30 Mg O10 -","1","0.5","","Bernat, Virginie; André, Chantal; André-Barrès, Christiane","Weak chemiluminescence emission during base induced rearrangement of G-factors","Organic & Biomolecular Chemistry","2008","6","3","454","457","10.1039/b715491g","","","0.71073","MoKα","","0.1287","0.06","","","0.1115","0.1347","","","","","","0.921","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150822","11.4202","0.0007","13.2038","0.0008","13.6607","0.0008","106.538","0.001","90.402","0.001","115.04","0.001","1769.71","0.19","100","1","100","1","","","","","","","see text","2","P -1","-P 1","2","","","","- C24 H28 -","- C24 H28 -","- C96 H112 -","4","2","","Pollard, Michael M.; Meetsma, Auke; Feringa, Ben L.","A redesign of light-driven rotary molecular motors","Organic & Biomolecular Chemistry","2008","6","3","507","512","10.1039/b715652a","","","0.71073","MoKα","","0.0612","0.0496","","","0.1176","0.124","","","","","","1.033","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150823","38.531","0.009","5.981","0.001","16.016","0.004","90","","93.416","0.004","90","","3684.4","1.4","100","1","100","1","","","","","","","see text","2","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 -","- C24 H28 -","- C192 H224 -","8","1","","Pollard, Michael M.; Meetsma, Auke; Feringa, Ben L.","A redesign of light-driven rotary molecular motors","Organic & Biomolecular Chemistry","2008","6","3","507","512","10.1039/b715652a","","","0.71073","MoKα","","0.0566","0.0451","","","0.1137","0.1211","","","","","","1.02","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150824","7.9098","0.0008","16.815","0.0018","8.1247","0.0008","90","","91.953","0.007","90","","1079.98","0.19","150","","150","","","","","","","","Oscar Prieto reaction OP411","5","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O5 S -","- C22 H28 N2 O5 S -","- C44 H56 N4 O10 S2 -","2","1","","Prieto, Oscar; Lam, Hon Wai","Cobalt-catalyzed reductive Mannich reactions of 4-acryloylmorpholine with N-tosyl aldimines","Organic & Biomolecular Chemistry","2008","6","1","55","57","10.1039/b715839d","","","0.71073","MoKα","","0.083","0.0569","","0.1155","0.1052","0.1155","","","","","","0.8677","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150825","5.9601","0.0001","9.7146","0.0002","16.6249","0.0003","100.634","0.001","100.386","0.001","99.836","0.001","909.57","0.03","150","","150","","","","","","","","Oscar Prieto OP-406 major diast","5","P -1","-P 1","2","","","","- C18 H22 N2 O4 S2 -","- C18 H22 N2 O4 S2 -","- C36 H44 N4 O8 S4 -","2","1","","Prieto, Oscar; Lam, Hon Wai","Cobalt-catalyzed reductive Mannich reactions of 4-acryloylmorpholine with N-tosyl aldimines","Organic & Biomolecular Chemistry","2008","6","1","55","57","10.1039/b715839d","","","0.71073","MoKα","","0.046","0.0368","","0.1019","0.0991","0.1019","","","","","","0.9635","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150826","22.1667","0.0013","25.5085","0.0013","7.5733","0.0004","90","","90","","90","","4282.2","0.4","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H28 N2 O5 S -","- C22 H28 N2 O5 S -","- C176 H224 N16 O40 S8 -","8","1","","Prieto, Oscar; Lam, Hon Wai","Cobalt-catalyzed reductive Mannich reactions of 4-acryloylmorpholine with N-tosyl aldimines","Organic & Biomolecular Chemistry","2008","6","1","55","57","10.1039/b715839d","","","0.71073","MoKα","","0.0744","0.0464","","0.0867","0.0745","0.0867","","","","","","0.9294","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150827","11.949","0.002","9.313","0.001","15.289","0.003","90","","101.84","0.02","90","","1665.2","0.5","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","Acetic acid 1R,8S,9R,11R,13R,20R-9-acetoxy-11,22-bis-(2,2,2- trifluoro-acetylamino)-2,7,14,19-tetraoxa- tricyclo(18.3.1.08,13)tetracos-24-yl ester","Acetic acid 1R,8S,9R,11R,13R,20R-9-acetoxy-11,22-bis-(2,2,2-trifluoro-acetylamino)- 2,7,14,19-tetraoxa-tricyclo[18.3.1.08,13]tetracos-24-yl ester","","- C28 H40 F6 N2 O10 -","- C28 H40 F6 N2 O10 -","- C56 H80 F12 N4 O20 -","2","1","","Oelze, Benjamin; Albert, Dieter; Kirschning, Andreas","Synthetic and structural studies on macrocyclic amino cyclitols ‒ conformational chameleons","Organic & Biomolecular Chemistry","2008","6","13","2412","2425","10.1039/b716347a","","","0.71073","MoKα","","0.1769","0.0447","","","0.0593","0.073","","","","","","0.588","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150828","11.4747","0.0013","6.7238","0.0007","15.8519","0.0019","90","","97.2644","0.0018","90","","1213.2","0.2","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 N4 O13 Os -","- C20 H22 N4 O13 Os -","- C40 H44 N8 O26 Os2 -","2","1","","Umemoto, Tadashi; Okamoto, Akimitsu","Synthesis and characterization of the 5-methyl-2′-deoxycytidine glycol‒dioxoosmium‒bipyridine ternary complex in DNA","Organic & Biomolecular Chemistry","2008","6","2","269","271","10.1039/b716400a","","","0.71073","MoKα","","0.0212","0.0176","","","0.045","0.0456","","","","","","1.013","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150829","6.7091","0.0002","8.077","0.0002","13.7233","0.0004","103.96","0.0017","93.8881","0.0018","109.004","0.0018","673.62","0.03","200","","200","","","","","","","","?","4","P -1","-P 1","2","","","","- C15 H13 Br O4 -","- C15 H13 Br O4 -","- C30 H26 Br2 O8 -","2","1","","Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Controlling cis/trans-selectivity in intramolecular Diels‒Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes","Organic & Biomolecular Chemistry","2008","6","3","513","522","10.1039/b716910h","","","0.71073","MoKα","","0.0345","0.0272","","0.0356","0.0321","0.0321","","","","","","1.0615","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150830","44.1595","0.0017","6.5892","0.0002","30.3735","0.0011","90","","127.205","0.0011","90","","7039.2","0.4","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O4 Si -","- C18 H22 O4 Si -","- C288 H352 O64 Si16 -","16","2","","Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Controlling cis/trans-selectivity in intramolecular Diels‒Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes","Organic & Biomolecular Chemistry","2008","6","3","513","522","10.1039/b716910h","","","0.71073","MoKα","","0.0761","0.0394","","0.0487","0.041","0.041","","","","","","1.1512","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150831","9.308","0.0002","10.106","0.0002","14.4185","0.0003","90","","95.7272","0.0012","90","","1349.53","0.05","200","","200","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br O4 -","- C15 H13 Br O4 -","- C60 H52 Br4 O16 -","4","1","","Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Controlling cis/trans-selectivity in intramolecular Diels‒Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes","Organic & Biomolecular Chemistry","2008","6","3","513","522","10.1039/b716910h","","","0.71073","MoKα","","0.0266","0.0208","","0.0264","0.0233","0.0233","","","","","","1.1202","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150832","9.3794","0.0002","9.9026","0.0002","10.4159","0.0002","86.4869","0.0012","66.0202","0.0013","79.5571","0.0015","869.21","0.03","200","","200","","","","","","","","?","4","P -1","-P 1","2","","","","- C18 H22 O4 Si -","- C18 H22 O4 Si -","- C36 H44 O8 Si2 -","2","1","","Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Controlling cis/trans-selectivity in intramolecular Diels‒Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes","Organic & Biomolecular Chemistry","2008","6","3","513","522","10.1039/b716910h","","","0.71073","MoKα","","0.0462","0.0353","","0.0392","0.0371","0.0371","","","","","","1.0878","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150833","11.7777","0.0005","5.4798","0.0001","20.1905","0.0006","90","","90","","90","","1303.08","0.07","200","","200","","","","","","","","local","3","P n a 21","P 2c -2n","33","","","","- C16 H12 O6 -","- C16 H12 O6 -","- C64 H48 O24 -","4","1","","Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Controlling cis/trans-selectivity in intramolecular Diels‒Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes","Organic & Biomolecular Chemistry","2008","6","3","513","522","10.1039/b716910h","","","0.71073","MoKα","","0.03","0.026","","0.0333","0.0312","0.0312","","","","","","1.1445","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150834","8.3666","0.0002","15.4945","0.0003","16.3029","0.0004","90","","90","","90","","2113.45","0.08","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 Cu F6 N3 O4 -","- C17 H27 Cu F6 N3 O4 -","- C68 H108 Cu4 F24 N12 O16 -","4","1","","Stones, Graham; Tripoli, Régis; McDavid, Colin L.; Roux-Duplâtre, Kewin; Kennedy, Alan R.; Sherrington, David C.; Gibson, Colin L.","Investigation of macrocyclisation routes to 1,4,7-triazacyclononanes: efficient syntheses from 1,2-ditosylamides","Organic & Biomolecular Chemistry","2008","6","2","374","384","10.1039/b716938h","","","0.71073","MoKα","","0.0701","0.0405","","","0.063","0.0719","","","","","","1.033","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150835","8.5196","0.0002","11.9778","0.0003","11.9934","0.0003","90","","90.014","0.0015","90","","1223.88","0.05","150","","150","","","","","","","","synthesis as described in manuscriptCCDC","4","P 1 21/n 1","-P 2yn","14","2-tert-butylsulfinyl-3-methoxyphenylmethanol","2-tert-butylsulfinyl-3-methoxyphenylmethanol","","- C12 H18 O3 S -","- C12 H18 O3 S -","- C48 H72 O12 S4 -","4","1","","Flemming, Jonathan P.; Berry, Malcolm B.; Brown, John M.","Sequential ortho-lithiations; the sulfoxide group as a relay to enable meta-substitution","Organic & Biomolecular Chemistry","2008","6","7","1215","1221","10.1039/B716954j","","","0.71073","MoKα","","0.0417","0.0308","","0.0439","0.0368","0.0368","","","","","","1.0472","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150836","8.8092","0.0005","11.8522","0.0007","11.5256","0.0007","90","","91.543","0.002","90","","1202.93","0.12","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O3 S -","- C12 H16 O3 S -","- C48 H64 O12 S4 -","4","1","","Flemming, Jonathan P.; Berry, Malcolm B.; Brown, John M.","Sequential ortho-lithiations; the sulfoxide group as a relay to enable meta-substitution","Organic & Biomolecular Chemistry","2008","6","7","1215","1221","10.1039/B716954j","","","0.71073","MoKα","","0.0859","0.0419","","0.0673","0.0478","0.0478","","","","","","1.0871","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150837","8.445","0.0003","12.0343","0.0004","11.7417","0.0004","90","","91.0936","0.0016","90","","1193.09","0.07","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C48 H72 O8 S4 -","4","1","","Flemming, Jonathan P.; Berry, Malcolm B.; Brown, John M.","Sequential ortho-lithiations; the sulfoxide group as a relay to enable meta-substitution","Organic & Biomolecular Chemistry","2008","6","7","1215","1221","10.1039/B716954j","","","0.71073","MoKα","","0.0446","0.0326","","0.0494","0.0442","0.0442","","","","","","0.9915","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150838","5.9329","0.0008","14.5318","0.0019","18.898","0.003","90","","90","","90","","1629.3","0.4","566","2","566","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tricyclic compounds","","","- C14 H15.3 N5 O6.15 -","- C14 H15 N5 O6.15 -","- C56 H60 N20 O24.6 -","4","1","","Anegundi, Ramakrishna I.; Puranik, Vedavati G.; Hotha, Srinivas","Synthesis of 1,2,3-triazole and 1,2,3,4-tetrazole-fused glycosides and nucleosides by an intramolecular 1,3-dipolar cycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","4","779","786","10.1039/b716996e","","","0.71073","MoKα","","0.1687","0.0607","","","0.1058","0.1471","","","","","","0.977","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150839","5.6672","0.0005","9.8214","0.0009","21.2188","0.0019","90","","90","","90","","1181.03","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tetracyclic compounds","","","- C10 H14 N4 O4 -","- C10 H14 N4 O4 -","- C40 H56 N16 O16 -","4","1","","Anegundi, Ramakrishna I.; Puranik, Vedavati G.; Hotha, Srinivas","Synthesis of 1,2,3-triazole and 1,2,3,4-tetrazole-fused glycosides and nucleosides by an intramolecular 1,3-dipolar cycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","4","779","786","10.1039/b716996e","","","0.71073","MoKα","","0.0478","0.0406","","","0.09","0.0935","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150840","5.495","0.001","10.054","0.002","21.33","0.004","90","","90","","90","","1178.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","1","","Anegundi, Ramakrishna I.; Puranik, Vedavati G.; Hotha, Srinivas","Synthesis of 1,2,3-triazole and 1,2,3,4-tetrazole-fused glycosides and nucleosides by an intramolecular 1,3-dipolar cycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","4","779","786","10.1039/b716996e","","","0.71073","MoKα","","0.0686","0.0283","","","0.0306","0.0357","","","","","","0.541","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150841","12.595","0.003","6.1165","0.0012","18.862","0.004","90","","106.42","0.03","90","","1393.8","0.6","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H45 N O4 -","- C30 H45 N O4 -","- C60 H90 N2 O8 -","2","1","","Taniguchi, Kayoko; Aruga, Marie; Yasutake, Mikio; Hirose, Takuji","Solvent control of optical resolution of 2-amino-1-phenylethanol using dehydroabietic acid","Organic & Biomolecular Chemistry","2008","6","3","458","463","10.1039/b717071h","","","0.71069","MoKα","","0.1077","0.0672","","","0.1642","0.1885","","","","","","1.106","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150842","10.981","0.002","6.1913","0.0012","17.85","0.004","90","","90.37","0.03","90","","1213.5","0.4","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H39 N O3 -","- C28 H39 N O3 -","- C56 H78 N2 O6 -","2","1","","Taniguchi, Kayoko; Aruga, Marie; Yasutake, Mikio; Hirose, Takuji","Solvent control of optical resolution of 2-amino-1-phenylethanol using dehydroabietic acid","Organic & Biomolecular Chemistry","2008","6","3","458","463","10.1039/b717071h","","","0.71069","MoKα","","0.0701","0.0536","","","0.1332","0.1531","","","","","","0.918","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150843","6.3023","0.0008","19.07","0.002","35.095","0.004","90","","90","","90","","4217.9","0.8","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H67 N O5 -","- C48 H67 N O5 -","- C192 H268 N4 O20 -","4","1","","Taniguchi, Kayoko; Aruga, Marie; Yasutake, Mikio; Hirose, Takuji","Solvent control of optical resolution of 2-amino-1-phenylethanol using dehydroabietic acid","Organic & Biomolecular Chemistry","2008","6","3","458","463","10.1039/b717071h","","","0.71073","MoKα","","0.1378","0.0927","","","0.1999","0.2269","","","","","","1.148","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150844","8.2246","0.0002","8.6176","0.0002","11.5999","0.0003","69.521","0.001","88.202","0.001","85.002","0.001","767.27","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 N4 O7 P -","- C13 H13 N4 O7 P -","- C26 H26 N8 O14 P2 -","2","1","","Griffiths, D. Vaughan; Al-Jeboori, Mohamad J.; Cheong, Yuen-Ki; Duncanson, Philip; Harris, Jayne E.; Salt, Michael C.; Taylor, Helen V.","Electron-rich heteroaroylphosphonates and their reaction with trimethyl phosphite","Organic & Biomolecular Chemistry","2008","6","3","577","585","10.1039/b717130g","","","0.71073","MoKα","","0.0379","0.0345","","","0.1165","0.1213","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150845","4.9892","0.0004","19.2928","0.0014","14.7103","0.0011","90","","99.045","0.001","90","","1398.34","0.18","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C60 H52 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.0979","0.0532","","","0.0865","0.0979","","","","","","0.956","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150846","14.6537","0.0011","14.1922","0.0011","14.9966","0.0012","90","","108.831","0.001","90","","2951.9","0.4","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 N3 O S -","- C7 H11 N3 O S -","- C84 H132 N36 O12 S12 -","12","3","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.1425","0.1047","","","0.1972","0.2133","","","","","","1.245","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150847","10.5904","0.0006","26.0342","0.0014","9.6563","0.0005","90","","99.047","0.001","90","","2629.2","0.2","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C96 H104 N24 O16 S8 -","8","2","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.1764","0.0883","","","0.1344","0.1644","","","","","","1.056","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150848","7.369","0.0004","15.9322","0.0008","10.1036","0.0005","90","","98.626","0.001","90","","1172.79","0.1","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N3 O S -","- C9 H15 N3 O S -","- C36 H60 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.039","0.0371","","","0.1003","0.1019","","","","","","1.037","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150849","8.4053","0.0005","14.8272","0.0009","18.2296","0.0011","90","","90","","90","","2271.9","0.2","293","1","293","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N6 O2 S3 -","- C17 H28 N6 O2 S3 -","- C68 H112 N24 O8 S12 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.0332","0.0309","","","0.0689","0.0697","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150850","9.4637","0.0005","9.9527","0.0006","13.2117","0.0008","81.31","0.001","79.178","0.001","68.971","0.001","1136.1","0.11","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 N3 O S -","- C11 H11 N3 O S -","- C44 H44 N12 O4 S4 -","4","2","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.0502","0.0445","","","0.1267","0.1317","","","","","","1.051","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150851","12.321","0.002","18.376","0.003","9.3465","0.0016","90","","116.339","0.003","90","","1896.5","0.5","295","1","295","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H21 N3 O S -","- C20 H21 N3 O S -","- C80 H84 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.1637","0.0815","","","0.0973","0.1213","","","","","","0.94","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150852","11.799","0.002","14.9","0.003","21.767","0.004","90","","98.298","0.003","90","","3786.7","1.2","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Di-tert-butyl 2,6-di((E)-4-isopropylbenzylidene)-4-cyano-4- phenyl-1,7-heptanedioate","Di-tert-butyl 2,6-di[(E)-4-isopropylbenzylidene]- 4-cyano-4-phenyl-1,7-heptanedioate","","- C42 H51 N O4 -","- C42 H51 N O4 -","- C168 H204 N4 O16 -","4","1","","Basavaiah, Deevi; Reddy, Raju Jannapu","Simple and facile synthesis of tetralone-spiro-glutarimides and spiro-bisglutarimides from Baylis‒Hillman acetates","Organic & Biomolecular Chemistry","2008","6","6","1034","1039","10.1039/b717843c","","","0.71073","MoKα","","0.097","0.058","","","0.1491","0.1687","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150853","9.0369","0.0018","25.751","0.005","9.274","0.0018","90","","96.108","0.003","90","","2145.9","0.7","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,5'-Di((E)-benzylidene)-(1,2,3,4-tetrahydronaphthalen-1-one) 4-spiro-3'-(piperidine-2',6'-dione)","2,5'-Di[(E)-benzylidene]-[1,2,3,4-tetrahydronaphthalen-1-one] 4-spiro-3'-[piperidine-2',6'-dione]","","- C28 H21 N O3 -","- C28 H21 N O3 -","- C112 H84 N4 O12 -","4","1","","Basavaiah, Deevi; Reddy, Raju Jannapu","Simple and facile synthesis of tetralone-spiro-glutarimides and spiro-bisglutarimides from Baylis‒Hillman acetates","Organic & Biomolecular Chemistry","2008","6","6","1034","1039","10.1039/b717843c","","","0.71073","MoKα","","0.0528","0.0427","","","0.1031","0.1081","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150854","9.0278","0.0007","10.5146","0.0009","13.4184","0.0011","79.22","0.001","75.225","0.001","72.025","0.001","1163.34","0.16","298","","298","","","","","","","","","5","P -1","-P 1","2","2,5'-Di((E)-2-chlorobenzylidene)-(1,2,3,4- tetrahydronaphthalen-1-one) 4-spiro-3'-(piperidine-2',6'-dione)","2,5'-Di[(E)-2-chlorobenzylidene]-[1,2,3,4-tetrahydronaphthalen-1-one] 4-spiro-3'-[piperidine-2',6'-dione]","","- C28 H19 Cl2 N O3 -","- C28 H19 Cl2 N O3 -","- C56 H38 Cl4 N2 O6 -","2","1","","Basavaiah, Deevi; Reddy, Raju Jannapu","Simple and facile synthesis of tetralone-spiro-glutarimides and spiro-bisglutarimides from Baylis‒Hillman acetates","Organic & Biomolecular Chemistry","2008","6","6","1034","1039","10.1039/b717843c","","","0.71073","MoKα","","0.0557","0.0412","","","0.1006","0.1064","","","","","","0.997","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150855","10.0689","0.0007","10.7855","0.0008","12.4469","0.0009","101.142","0.001","108.914","0.001","105.628","0.001","1171.6","0.15","298","","298","","","","","","","","","4","P -1","-P 1","2","3,3-Spiro-bis((5-(E)-4-ethylbenzylidene)piperidine-2,6-dione)","3,3-Spiro-bis[{5-(E)-4-ethylbenzylidene}piperidine-2,6-dione]","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C54 H52 N4 O8 -","2","1","","Basavaiah, Deevi; Reddy, Raju Jannapu","Simple and facile synthesis of tetralone-spiro-glutarimides and spiro-bisglutarimides from Baylis‒Hillman acetates","Organic & Biomolecular Chemistry","2008","6","6","1034","1039","10.1039/b717843c","","","0.71073","MoKα","","0.0803","0.0617","","","0.1824","0.1963","","","","","","1.07","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150856","14.2014","0.0019","15.4184","0.0019","15.7438","0.0017","73.389","0.009","81.409","0.01","66.041","0.009","3016.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H72 Cl6 N6 O6 -","- C63 H72 Cl6 N6 O6 -","- C126 H144 Cl12 N12 O12 -","2","1","","Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Hubscher-Bruder, Véronique; Jobin, Emilie; Thondorf, Iris; Werner, Sabine","Cyclic triureas—synthesis, crystal structures and properties","Organic & Biomolecular Chemistry","2008","6","6","1004","1014","10.1039/b718114k","","","0.71073","MoKα","","0.1506","0.105","","","0.2809","0.3167","","","","","","1.063","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150857","21.973","0.0016","14.2644","0.0006","16.7013","0.0012","90","","96.085","0.006","90","","5205.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H66 Cl N7 O6 -","- C55 H66 Cl N7 O6 -","- C220 H264 Cl4 N28 O24 -","4","1","","Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Hubscher-Bruder, Véronique; Jobin, Emilie; Thondorf, Iris; Werner, Sabine","Cyclic triureas—synthesis, crystal structures and properties","Organic & Biomolecular Chemistry","2008","6","6","1004","1014","10.1039/b718114k","","","0.71073","MoKα","","0.0833","0.0464","","","0.0944","0.1056","","","","","","0.958","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150858","13.819","0.0008","17.9176","0.001","21.6376","0.001","90","","90","","90","","5357.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H66 N6 O9 S2 -","- C55 H66 N6 O9 S2 -","- C220 H264 N24 O36 S8 -","4","1","","Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Hubscher-Bruder, Véronique; Jobin, Emilie; Thondorf, Iris; Werner, Sabine","Cyclic triureas—synthesis, crystal structures and properties","Organic & Biomolecular Chemistry","2008","6","6","1004","1014","10.1039/b718114k","","","0.71073","MoKα","","0.0388","0.0344","","","0.084","0.0859","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150859","12.027","0.002","10.945","0.002","24.151","0.008","90","","105.89","0.03","90","","3057.7","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N2 O4 -","- C37 H32 N2 O4 -","- C148 H128 N8 O16 -","4","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Prakash, B. Veda","Double cascade reactions based on the Barbas dienamine platform: highly stereoselective synthesis of functionalized cyclohexanes for cardiovascular agents","Organic & Biomolecular Chemistry","2008","6","4","719","726","10.1039/b718122a","","","0.71073","MoKα","","0.0897","0.0729","","","0.1515","0.1602","","","","","","1.154","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150860","8.336","0.005","11.777","0.009","12.965","0.011","84.71","0.03","83.95","0.03","87.53","0.03","1259.6","1.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 B F2 N2 O2 -","- C13 H13 B F2 N2 O2 -","- C52 H52 B4 F8 N8 O8 -","4","2","","Maeda, Hiromitsu; Terasaki, Masahiro; Haketa, Yohei; Mihashi, Yuta; Kusunose, Yukio","BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors","Organic & Biomolecular Chemistry","2008","6","3","433","436","10.1039/b718317h","","","0.71075","MoKα","","0.1329","0.0447","","","0.1431","0.193","","","","","","0.918","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150861","9.272","0.011","11.368","0.017","16.05","0.03","98.48","0.05","104.48","0.06","109.8","0.03","1490","4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 B F2 N2 O2 -","- C15 H17 B F2 N2 O2 -","- C60 H68 B4 F8 N8 O8 -","4","2","","Maeda, Hiromitsu; Terasaki, Masahiro; Haketa, Yohei; Mihashi, Yuta; Kusunose, Yukio","BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors","Organic & Biomolecular Chemistry","2008","6","3","433","436","10.1039/b718317h","","","0.71075","MoKα","","0.1228","0.0744","","","0.1738","0.2386","","","","","","0.995","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150862","8.526","0.006","12.16","0.006","8.797","0.005","90","","93.64","0.03","90","","910.2","0.9","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C19 H25 B F2 N2 O2 -","- C19 H25 B F2 N2 O2 -","- C38 H50 B2 F4 N4 O4 -","2","1","","Maeda, Hiromitsu; Terasaki, Masahiro; Haketa, Yohei; Mihashi, Yuta; Kusunose, Yukio","BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors","Organic & Biomolecular Chemistry","2008","6","3","433","436","10.1039/b718317h","","","0.71075","MoKα","","0.0482","0.0376","","","0.0781","0.0895","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150863","27.621","0.008","13.498","0.003","22.643","0.006","90","","128.066","0.01","90","","6646","3","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H53 B Cl F2 N3 O2 -","- C31 H53 B Cl F2 N3 O2 -","- C248 H424 B8 Cl8 F16 N24 O16 -","8","1","","Maeda, Hiromitsu; Terasaki, Masahiro; Haketa, Yohei; Mihashi, Yuta; Kusunose, Yukio","BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors","Organic & Biomolecular Chemistry","2008","6","3","433","436","10.1039/b718317h","","","0.71075","MoKα","","0.1324","0.1199","","","0.3261","0.3307","","","","","","1.083","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150864","10.584","0.003","10.448","0.003","14.677","0.004","90","","90.31","0.011","90","","1623","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F3 N3 O5 -","- C17 H12 F3 N3 O5 -","- C68 H48 F12 N12 O20 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Harrison, John S.; Malone, John. F.; McRoberts, W. Colin; Hamilton, John T. G.; Harper, David B.","Enzyme-catalysed synthesis and reactions of benzene oxide/oxepine derivatives of methyl benzoates","Organic & Biomolecular Chemistry","2008","6","7","1251","1259","10.1039/b718375e","","","0.71073","MoKα","","0.0851","0.0719","","","0.2173","0.233","","","","","","1.137","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150865","14.4683","0.0009","17.0943","0.0011","4.92","0.0002","90","","90","","90","","1216.84","0.12","113","2","108","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H10 B Br O2 -","- C14 H10 B Br O2 -","- C56 H40 B4 Br4 O8 -","4","1","","Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.","Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids","Organic & Biomolecular Chemistry","2008","6","7","1201","1207","10.1039/b719282g","","","0.71073","MoKα","","0.0323","0.024","","","0.048","0.049","","","","","","0.955","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150866","31.502","0.003","7.6126","0.0006","12.1156","0.0007","90","","110.098","0.012","90","","2728.5","0.4","293","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 B O2 -","- C16 H15 B O2 -","- C128 H120 B8 O16 -","8","1","","Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.","Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids","Organic & Biomolecular Chemistry","2008","6","7","1201","1207","10.1039/b719282g","","","0.71073","MoKα","","0.077","0.053","","","0.1391","0.1597","","","","","","1.012","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150867","4.957","0.0008","7.056","0.001","10.7572","0.0017","95.766","0.012","92.219","0.013","96.613","0.013","371.37","0.1","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 B Br O2 -","- C6 H6 B Br O2 -","- C12 H12 B2 Br2 O4 -","2","1","","Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.","Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids","Organic & Biomolecular Chemistry","2008","6","7","1201","1207","10.1039/b719282g","","","0.71073","MoKα","","0.027","0.0241","","","0.0589","0.0595","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150868","8.2637","0.0009","9.2893","0.0008","14.5479","0.0019","98.514","0.009","104.995","0.01","99.904","0.009","1040.7","0.2","108","2","108","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 B O2 -","- C12 H11 B O2 -","- C48 H44 B4 O8 -","4","2","","Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.","Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids","Organic & Biomolecular Chemistry","2008","6","7","1201","1207","10.1039/b719282g","","","0.71073","MoKα","","0.1072","0.0615","","","0.1427","0.159","","","","","","0.863","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150869","31.624","0.004","15.1613","0.0014","9.1559","0.0014","90","","90","","90","","4389.9","1","108","2","108","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C11 H17 B O2 -","- C11 H17 B O2 -","- C176 H272 B16 O32 -","16","","","Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.","Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids","Organic & Biomolecular Chemistry","2008","6","7","1201","1207","10.1039/b719282g","","","0.71073","MoKα","","0.0502","0.0406","","","0.0989","0.1014","","","","","","1.076","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150870","7.5917","0.0005","17.728","0.0011","14.962","0.001","90","","98.148","0.006","90","","1993.3","0.2","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis2,6pyr-cyclen","","","- C23 H64 Cl7 N9 O6 -","- C23 H62 Cl7 N9 O6 -","- C46 H124 Cl14 N18 O12 -","2","1","","Delépine, Anne-Sophie; Tripier, Raphaël; Handel, Henri","Cyclen-based bismacrocycles for biological anion recognition. A potentiometric and NMR study of AMP, ADP and ATP nucleotide complexation","Organic & Biomolecular Chemistry","2008","6","10","1743","1750","10.1039/b719514a","","x-ray","0.71073","MoKα","","0.0639","0.0482","","","0.1238","0.1323","","","","","","1.015","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150871","19.246","0.006","5.8447","0.0016","14.509","0.005","90","","129.844","0.004","90","","1253.1","0.7","223","2","223","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Xu, Zhou; Mao, Jincheng; Zhang, Yawen","Highly enantioselective alkynylation of aldehydes catalyzed by a new oxazolidine‒titanium complex","Organic & Biomolecular Chemistry","2008","6","7","1288","1292","10.1039/b719624e","","","0.7107","MoKα","","0.033","0.0315","","","0.0792","0.0802","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150872","14.505","0.001","10.7366","0.0007","10.6755","0.001","90","","100.855","0.007","90","","1632.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Vara, Yosu; Aldaba, Eneko; Arrieta, Ana; Pizarro, José L.; Arriortua, María I.; Cossío, Fernando P.","Regiochemistry of the microwave-assisted reaction between aromatic amines and α-bromoketones to yield substituted 1H-indoles","Organic & Biomolecular Chemistry","2008","6","10","1763","1772","10.1039/b719641e","","","0.71073","MoKα","","0.1049","0.0584","","","0.1164","0.1363","","","","","","1.134","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7150873","11.3216","0.0001","13.2699","0.0001","13.7391","0.0002","90","","90","","90","","2064.11","0.04","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C88 H100 N12 O16 -","4","1","","Sakamoto, Masami; Sato, Naoto; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Crystallization-induced diastereomer transformation of 2-quinolone-4-carboxamide followed by stereoselective intermolecular photocycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","5","848","850","10.1039/b719761f","","","0.71073","MoKα","","0.0721","0.048","","","0.1187","0.1295","","","","","","0.98","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150874","8.0817","0.001","14.5195","0.0018","17.141","0.002","90","","90","","90","","2011.4","0.4","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C88 H100 N12 O16 -","4","1","","Sakamoto, Masami; Sato, Naoto; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Crystallization-induced diastereomer transformation of 2-quinolone-4-carboxamide followed by stereoselective intermolecular photocycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","5","848","850","10.1039/b719761f","","","0.71073","MoKα","","0.037","0.033","","","0.0809","0.0832","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150875","5.35","","8.79","","10.58","","111.47","","94.77","","94.31","","458.412","","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6 N2 O5 -","- C9 H6 N2 O5 -","- C18 H12 N4 O10 -","2","1","","Mahiout, Zahia; Lomberget, Thierry; Goncalves, Sylvie; Barret, Roland","Solvent-dependent oxidations of 5- and 6-azaindoles to trioxopyrrolopyridines and functionalised azaindoles","Organic & Biomolecular Chemistry","2008","6","8","1364","1376","10.1039/b719776d","","x-ray","0.71073","MoKα","","0.1193","0.0467","","0.115","0.0567","0.0567","","","","","","1.0578","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150876","8.5186","0.0006","14.4133","0.0011","19.634","0.0015","90","","90","","90","","2410.7","0.3","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C26 H28 O8 -","- C26 H28 O8 -","- C104 H112 O32 -","4","1","","Guan, Zheng-Hui; Ren, Zhi-Hui; Zhao, Lian-Biao; Liang, Yong-Min","Palladium-catalyzed synthesis of indene derivatives via propargylic carbonates with in situ generated organozinc compounds","Organic & Biomolecular Chemistry","2008","6","6","1040","1045","10.1039/b719957k","","","0.71073","MoKα","","0.0676","0.0449","","","0.1131","0.1276","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150877","5.334","0.004","9.149","0.007","13.947","0.013","74.6","0.03","80.12","0.03","82.77","0.02","644.1","0.9","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C28 H34 N2 O6 -","2","1","","Matsuhira, Takashi; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu","Manipulation of an intramolecular NH⋯O hydrogen bond by photoswitching between stable E/Z isomers of the cinnamate framework","Organic & Biomolecular Chemistry","2008","6","11","1926","1933","10.1039/b719960k","","","0.71075","MoKα","","0.0772","0.039","","","0.0692","0.0734","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150878","21.127","0.005","21.127","0.005","7.5223","0.0015","90","","90","","120","","2907.7","1.1","200","","200","","","","","","","","","4","P 63","P 6c","173","","","","- C18 H28 N2 O3 -","- C18 H28 N2 O3 -","- C108 H168 N12 O18 -","6","1","","Matsuhira, Takashi; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu","Manipulation of an intramolecular NH⋯O hydrogen bond by photoswitching between stable E/Z isomers of the cinnamate framework","Organic & Biomolecular Chemistry","2008","6","11","1926","1933","10.1039/b719960k","","","0.71075","MoKα","","0.0538","0.0408","","","0.0928","0.0982","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150879","6.6262","0.0018","16.496","0.005","21.207","0.005","90","","90","","90","","2318","1.1","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Duguet, Nicolas; Campbell, Craig D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","N-Heterocyclic carbene catalysed β-lactam synthesis","Organic & Biomolecular Chemistry","2008","6","6","1108","1113","10.1039/b800857b","","","0.71073","MoKα","","0.0837","0.0687","","","0.162","0.1741","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150880","9.5372","0.0005","11.0197","0.0006","16.2672","0.0009","90","","92.323","0.002","90","","1708.23","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H54 O7 Si -","- C33 H54 O7 Si -","- C66 H108 O14 Si2 -","2","1","","Pattenden, Gerald; Ashweek, Neil J.; Baker-Glenn, Charles A. G.; Kempson, James; Walker, Gary M.; Yee, James G. K.","Total synthesis of (−)-ulapualide A, a novel tris-oxazole macrolide from marine nudibranchs, based on some biosynthesis speculation","Organic & Biomolecular Chemistry","2008","6","8","1478","1497","10.1039/b801036f","","","0.71073","MoKα","","0.0323","0.0312","","","0.0865","0.0878","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150881","10.1826","0.0008","9.5473","0.0007","10.2926","0.0011","90","","103.133","0.003","90","","974.44","0.15","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O4 -","- C17 H27 N3 O4 -","- C34 H54 N6 O8 -","2","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","","","x-ray","0.7107","MoKα","","0.0984","0.0642","","","0.1654","0.1908","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150882","10.185","0.0012","9.447","0.0007","10.571","0.002","90","","103.216","0.004","90","","990.2","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H32 N4 O3 -","- C17 H32 N4 O3 -","- C34 H64 N8 O6 -","2","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","","","x-ray","0.7107","MoKα","","0.0747","0.045","","","0.1102","0.125","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150883","9.4284","0.0002","15.824","0.0003","21.002","0.0005","90","","98.536","0.002","90","","3098.68","0.12","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H25 N3 O3 -","- C13 H25 N3 O3 -","- C104 H200 N24 O24 -","8","2","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","10.1039/b801139g","","x-ray","0.71073","MoKα","","0.1189","0.0517","","","0.128","0.1544","","","","","","0.95","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150884","20.565","0.005","5.223","0.001","17.23","0.004","90","","105.921","0.008","90","","1779.7","0.7","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C16 H25 N3 O3 -","- C16 H25 N3 O3 -","- C64 H100 N12 O12 -","4","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","10.1039/b801139g","","x-ray","0.7107","MoKα","","0.1033","0.0856","","","0.2327","0.2465","","","","","","1.087","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150885","12.169","0.006","9.397","0.003","16.467","0.002","90","","103.86","0.03","90","","1828.2","1.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H29 N3 O3 -","- C14 H29 N3 O3 -","- C56 H116 N12 O12 -","4","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","10.1039/b801139g","","x-ray","1.54184","CuKα","","0.0828","0.0656","","","0.1825","0.2002","","","","","","1.035","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150886","9.3903","0.0007","16.0688","0.001","19.4462","0.0018","90","","90","","90","","2934.3","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 N4 O6 -","- C26 H40 N4 O6 -","- C104 H160 N16 O24 -","4","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","10.1039/b801139g","","x-ray","0.71073","MoKα","","0.0992","0.0441","","","0.0809","0.0993","","","","","","0.982","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150887","5.241","0.001","17.883","0.003","19.356","0.002","90","","90","","90","","1814.1","0.5","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N3 O3 -","- C17 H27 N3 O3 -","- C68 H108 N12 O12 -","4","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","","","x-ray","1.5406","","","0.0535","0.0503","","","0.1307","0.1377","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150888","4.675","0.002","9.497","0.002","10.809","0.003","76.78","0.02","81.59","0.03","77.55","0.02","453.8","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C19 H24 N4 O2 -","- C19 H24 N4 O2 -","- C19 H24 N4 O2 -","1","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","10.1039/b801139g","","x-ray","1.5406","","","0.0714","0.0461","","","0.1039","0.1316","","","","","","1.144","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150889","10.712","0.006","11.368","0.004","15.945","0.004","90","","103.78","0.03","90","","1885.8","1.4","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O2 S2 -","- C18 H25 N O2 S2 -","- C72 H100 N4 O8 S8 -","4","1","","Bradshaw, Benjamin; Evans, Paul; Fletcher, Jane; Lee, Alan T. L.; Mwashimba, Paul G.; Oehlrich, Daniel; Thomas, Eric J.; Davies, Robin H.; Allen, Benjamin C. P.; Broadley, Kenneth J.; Hamrouni, Amar; Escargueil, Christine","Synthesis of 5-hydroxy-2,3,4,5-tetrahydro-[1H]-2-benzazepin-4-ones: selective antagonists of muscarinic (M3) receptors","Organic & Biomolecular Chemistry","2008","6","12","2138","2157","10.1039/b801206g","","","1.5418","CuKα","","0.0677","0.0546","","","0.152","0.1688","","","","","","1.147","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150890","7.783","0.002","9.85","0.004","12.119","0.002","110.81","0.02","103.93","0.04","97.43","0.02","818.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H27 N O2 -","- C18 H27 N O2 -","- C36 H54 N2 O4 -","2","1","","Bradshaw, Benjamin; Evans, Paul; Fletcher, Jane; Lee, Alan T. L.; Mwashimba, Paul G.; Oehlrich, Daniel; Thomas, Eric J.; Davies, Robin H.; Allen, Benjamin C. P.; Broadley, Kenneth J.; Hamrouni, Amar; Escargueil, Christine","Synthesis of 5-hydroxy-2,3,4,5-tetrahydro-[1H]-2-benzazepin-4-ones: selective antagonists of muscarinic (M3) receptors","Organic & Biomolecular Chemistry","2008","6","12","2138","2157","10.1039/b801206g","","x-ray","0.71073","MoKα","","0.1167","0.0562","","","0.1095","0.1409","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150891","24.883","0.002","15.352","0.002","17.848","0.002","90","","133.61","0.003","90","","4936.6","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Br N O5 S -","- C26 H26 Br N O5 S -","- C208 H208 Br8 N8 O40 S8 -","8","1","","Evans, Paul; Lee, Alan T. L.; Thomas, Eric J.","Synthesis of a 6-aryloxymethyl-5-hydroxy-2,3,4,5-tetrahydro-[1H]-2-benzazepin-4-one: a muscarinic (M3) antagonist","Organic & Biomolecular Chemistry","2008","6","12","2158","2167","10.1039/b801208c","","","0.71073","MoKα","","0.0566","0.0432","","","0.112","0.1203","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150892","10.0553","0.0019","13.715","0.002","15.384","0.003","64.024","0.007","80.245","0.012","70.714","0.01","1799.5","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H49 Cl N6 O2 -","- C40 H49 Cl N6 O2 -","- C80 H98 Cl2 N12 O4 -","2","1","","Wang, Ting; Bai, Yu; Ma, Liang; Yan, Xiu-Ping","Synthesis and characterization of indolocarbazole-quinoxalines with flat rigid structure for sensing fluoride and acetate anions","Organic & Biomolecular Chemistry","2008","6","10","1751","1755","10.1039/b801447g","","","0.7107","MoKα","","0.0756","0.0609","","","0.16","0.1702","","","","","","1.057","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150893","12.077","0.002","13.878","0.003","14.279","0.003","108.73","0.03","107.18","0.03","95.52","0.03","2116.5","1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H54 Cl3 N6 O4.5 -","- C43 H54 Cl3 N6 O4.5 -","- C86 H108 Cl6 N12 O9 -","2","1","","Wang, Ting; Bai, Yu; Ma, Liang; Yan, Xiu-Ping","Synthesis and characterization of indolocarbazole-quinoxalines with flat rigid structure for sensing fluoride and acetate anions","Organic & Biomolecular Chemistry","2008","6","10","1751","1755","10.1039/b801447g","","","0.71073","MoKα","","0.0658","0.0537","","","0.1127","0.1181","","","","","","1.144","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150894","13.1713","0.0003","7.0422","0.0001","14.1832","0.0003","90","","112.234","0.003","90","","1217.74","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H20 N2 O12 -","- C27 H20 N2 O12 -","- C54 H40 N4 O24 -","2","1","","Raffaelli, Barbara; Pohjoispää, Monika; Hase, Tapio; Cardin, Christine J.; Gan, Yu; Wähälä, Kristiina","Stereochemistry and rearrangement reactions of hydroxylignanolactones","Organic & Biomolecular Chemistry","2008","6","14","2619","2627","10.1039/b801593g","","","1.54184","Cukα","","0.0303","0.0292","","","0.0758","0.079","","","","","","1.037","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150895","6.429","0.001","13.631","0.002","50.896","0.006","90","","90","","90","","4460.2","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(9alpha,13beta)-delta17,20-Protolanostane Alcohol","","","- C51 H84 O3 -","- C51 H80 O3 -","- C204 H320 O12 -","4","1","","Winne, Johan M.; De Clercq, Pierre J.; Milanesio, Marco; Pattison, Philip; Viterbo, Davide","Nonenzymic polycyclisation of analogues of oxidosqualene with a preformed C-ring","Organic & Biomolecular Chemistry","2008","6","11","1918","1925","10.1039/b801670d","","","0.7114","MoKα","","0.2217","0.2009","","","0.5235","0.5641","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150896","9.624","0.0011","7.9566","0.0009","9.8099","0.0011","90","","118.093","0.001","90","","662.68","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C26 H28 N4 O10 -","2","1","","Angelici, Gaetano; Contaldi, Simone; Lynn Green, Sarah; Tomasini, Claudia","Synthesis of imidazolidin-2-one-4-carboxylate and of (tetrahydro)pyrimidin-2-one-5-carboxylate via an efficient modification of the Hofmann rearrangement","Organic & Biomolecular Chemistry","2008","6","10","1849","1852","10.1039/b801909f","","","0.71073","MoKα","","0.0391","0.032","","","0.0799","0.0837","","","","","","1.234","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150897","6.8203","0.0008","5.5939","0.0007","20.585","0.003","90","","97.914","0.003","90","","777.88","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O9 -","- C14 H22 O9 -","- C28 H44 O18 -","2","1","","Nieto, Natalia; Munslow, Ian J.; Barr, Jonathan; Benet-Buchholz, J.; Vidal-Ferran, Anton","Dioxirane mediated asymmetric epoxidations: stereochemical studies via isotopic labeling","Organic & Biomolecular Chemistry","2008","6","13","2276","2281","10.1039/b801922c","","","0.71073","MoKα","","0.0939","0.05","","","0.1052","0.1244","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150898","6.566","0.0005","7.3847","0.0006","24.1727","0.0019","90","","90","","90","","1172.08","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Alcaide, Benito; Almendros, Pedro; Luna, Amparo; Torres, M. Rosario","Stereoselective NaN3-catalyzed halonitroaldol-type reaction of azetidine-2,3-diones in aqueous media","Organic & Biomolecular Chemistry","2008","6","9","1635","1640","10.1039/b802011f","","","0.71073","MoKα","","0.0579","0.0308","","","0.0636","0.0717","","","","","","0.972","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150899","11.0409","0.0011","6.1566","0.0006","12.5748","0.0013","90","","90.669","0.002","90","","854.71","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C32 H36 N4 O14 -","2","1","","Alcaide, Benito; Almendros, Pedro; Luna, Amparo; Torres, M. Rosario","Stereoselective NaN3-catalyzed halonitroaldol-type reaction of azetidine-2,3-diones in aqueous media","Organic & Biomolecular Chemistry","2008","6","9","1635","1640","10.1039/b802011f","","","0.71073","MoKα","","0.0919","0.041","","","0.0864","0.1024","","","","","","0.913","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150900","10.2053","0.0004","10.5866","0.0005","16.192","0.0008","72.052","0.002","80.971","0.002","62.274","0.004","1472.97","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Cl N O Si2 -","- C30 H36 Cl N O Si2 -","- C60 H72 Cl2 N2 O2 Si4 -","2","1","","Karatas, Betül; Rendler, Sebastian; Fröhlich, Roland; Oestreich, Martin","Kinetic resolution of donor-functionalised tertiary alcohols by Cu‒H-catalysed stereoselective silylation using a strained silicon-stereogenic silane","Organic & Biomolecular Chemistry","2008","6","8","1435","1440","10.1039/b802186d","","","1.54178","CuKα","","0.0407","0.0384","","","0.1114","0.1136","","","","","","1.038","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150901","14.6545","0.0004","21.6938","0.0006","19.1708","0.0005","90","","101.885","0.001","90","","5964","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 N O2 Si2 -","- C31 H39 N O2 Si2 -","- C248 H312 N8 O16 Si16 -","8","2","","Karatas, Betül; Rendler, Sebastian; Fröhlich, Roland; Oestreich, Martin","Kinetic resolution of donor-functionalised tertiary alcohols by Cu‒H-catalysed stereoselective silylation using a strained silicon-stereogenic silane","Organic & Biomolecular Chemistry","2008","6","8","1435","1440","10.1039/b802186d","","","1.54178","CuKα","","0.0762","0.0554","","","0.1256","0.1384","","","","","","1.038","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150902","10.2158","0.0003","10.5173","0.0003","16.3911","0.0005","72.213","0.002","81.203","0.002","61.845","0.003","1478.42","0.09","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H39 N O Si2 -","- C31 H39 N O Si2 -","- C62 H78 N2 O2 Si4 -","2","1","","Karatas, Betül; Rendler, Sebastian; Fröhlich, Roland; Oestreich, Martin","Kinetic resolution of donor-functionalised tertiary alcohols by Cu‒H-catalysed stereoselective silylation using a strained silicon-stereogenic silane","Organic & Biomolecular Chemistry","2008","6","8","1435","1440","10.1039/b802186d","","","1.54178","CuKα","","0.047","0.0426","","","0.1132","0.1172","","","","","","1.031","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150903","5.99","0.0003","15.612","0.0008","19.9389","0.001","90","","90","","90","","1864.6","0.16","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O Si -","- C18 H20 Cl N O Si -","- C72 H80 Cl4 N4 O4 Si4 -","4","1","","Karatas, Betül; Rendler, Sebastian; Fröhlich, Roland; Oestreich, Martin","Kinetic resolution of donor-functionalised tertiary alcohols by Cu‒H-catalysed stereoselective silylation using a strained silicon-stereogenic silane","Organic & Biomolecular Chemistry","2008","6","8","1435","1440","10.1039/b802186d","","","1.54178","CuKα","","0.046","0.0408","","","0.0956","0.0998","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150904","8.013","0.002","13.312","0.003","13.652","0.002","105.984","0.007","106.137","0.012","107.137","0.009","1231.4","0.5","9","","9","","","","","","","","","4","P -1","-P 1","2","substituted aziridine","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","2","","Grabowsky, Simon; Pfeuffer, Thomas; Morgenroth, Wolfgang; Paulmann, Carsten; Schirmeister, Tanja; Luger, Peter","A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds","Organic & Biomolecular Chemistry","2008","6","13","2295","2307","10.1039/b802831a","","","0.56","synchrotron","","0.0427","0.0271","","","","0.0241","","","","","","1.854","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150905","8.0274","0.0016","13.333","0.003","13.674","0.003","105.97","0.03","106.05","0.03","107.14","0.03","1238.5","0.7","27","2","27","2","","","","","","","","4","P -1","-P 1","2","acceptor-substituted aziridine","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","2","","Grabowsky, Simon; Pfeuffer, Thomas; Morgenroth, Wolfgang; Paulmann, Carsten; Schirmeister, Tanja; Luger, Peter","A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds","Organic & Biomolecular Chemistry","2008","6","13","2295","2307","10.1039/b802831a","","","0.71073","MoKα","","0.052","0.033","","","","0.039","0.045","","","","","1.426","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150906","7.746","0.001","8.08","0.001","11.835","0.001","86.198","0.001","74.105","0.001","60.673","0.001","619.07","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","acceptor-substituted oxirane","","","- C12 H11 N O7 -","- C12 H11 N O7 -","- C24 H22 N2 O14 -","2","1","","Grabowsky, Simon; Pfeuffer, Thomas; Morgenroth, Wolfgang; Paulmann, Carsten; Schirmeister, Tanja; Luger, Peter","A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds","Organic & Biomolecular Chemistry","2008","6","13","2295","2307","10.1039/b802831a","","","0.56","synchrotron","","0.058","0.032","","","","0.044","0.048","","","","","0.996","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150907","7.769","0.002","7.865","0.001","10.811","0.001","87.61","0.02","85.41","0.04","62.43","0.01","583.69","0.19","9","","9","","","","","","","","","4","P -1","-P 1","2","acceptor-substituted olefin","","","- C12 H11 N O6 -","- C12 H11 N O6 -","- C24 H22 N2 O12 -","2","1","","Grabowsky, Simon; Pfeuffer, Thomas; Morgenroth, Wolfgang; Paulmann, Carsten; Schirmeister, Tanja; Luger, Peter","A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds","Organic & Biomolecular Chemistry","2008","6","13","2295","2307","10.1039/b802831a","","","0.5166","synchrotron","","0.034","0.027","","","","0.033","0.049","","","","","1.468","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150908","13.6246","0.0003","7.0143","0.0001","7.8922","0.0002","90","","99.789","0.002","90","","743.25","0.03","150","","150","","","","","","","","","3","C 1 2/m 1","-C 2y","12","6-cyclopropyl-9H-purine","6-cyclopropyl-9H-purine","","- C8 H8 N4 -","- C8 H8 N4 -","- C32 H32 N16 -","4","0.5","","Kuchař, Martin; Pohl, Radek; Klepetářová, Blanka; Votruba, Ivan; Hocek, Michal","Synthesis of substituted 6-cyclopropylpurine bases and nucleosides by cross-coupling reactions or cyclopropanations","Organic & Biomolecular Chemistry","2008","6","13","2377","2387","10.1039/b802833h","","x-ray","1.54184","CuKα","","0.0446","0.0409","","0.0588","0.0577","0.0577","","","","","","0.944","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150909","22.2791","0.0002","16.203","0.0001","4.98","","90","","90","","90","","1797.72","0.02","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","9-Benzyl-6-(2-(diethylcarbamoyl)cyclopropyl)purine","9-Benzyl-6-[2-(diethylcarbamoyl)cyclopropyl]purine","","- C20 H23 N5 O -","- C20 H23 N5 O -","- C80 H92 N20 O4 -","4","1","","Kuchař, Martin; Pohl, Radek; Klepetářová, Blanka; Votruba, Ivan; Hocek, Michal","Synthesis of substituted 6-cyclopropylpurine bases and nucleosides by cross-coupling reactions or cyclopropanations","Organic & Biomolecular Chemistry","2008","6","13","2377","2387","10.1039/b802833h","","x-ray","1.54184","CuKα","","0.0361","0.0296","","0.0402","0.0328","0.0328","","","","","","1.0836","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150910","8.6787","0.0009","13.9781","0.0015","12.3242","0.0013","90","","99.664","0.002","90","","1473.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","Fan, Li-Yan; Gao, Fei-Feng; Jiang, Wei-Hua; Deng, Min-Zhi; Qian, Chang-Tao","A simple, efficient Pd-catalyzed synthesis of N-sulfonylimines from organoboronic acids and tosylbenzimidoyl chlorides","Organic & Biomolecular Chemistry","2008","6","12","2133","2137","10.1039/b802867b","","","0.71073","MoKα","","0.0617","0.0498","","","0.1359","0.1425","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150911","3.7926","0.0008","20.217","0.004","12.385","0.003","90","","94.91","0.01","90","","946.1","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,5-bis(buta-1,3-diynyl)-pyridine","2,5-bis(buta-1,3-diynyl)-pyridine","","- C13 H5 N -","- C13 H5 N -","- C52 H20 N4 -","4","1","","West, Kara; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Carbon-rich molecules: synthesis and isolation of aryl/heteroaryl terminal bis(butadiynes) (HCC‒CC‒Ar‒CC‒CCH) and their applications in the synthesis of oligo(arylenebutadiynylene) molecular wires","Organic & Biomolecular Chemistry","2008","6","11","1934","1937","10.1039/b802968g","","","0.71073","MoKα","","0.1796","0.0686","","","0.1609","0.208","","","","","","0.865","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150912","17.555","0.002","9.126","0.001","19.831","0.002","90","","101.46","0.01","90","","3113.7","0.6","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","6-(4-buta-1,3-diynyl-2,5-dimethoxyphenyl)-2-methylhexa-3,5- diyn-2-ol","6-(4-buta-1,3-diynyl-2,5-dimethoxyphenyl)-2-methylhexa- 3,5-diyn-2-ol","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","","West, Kara; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Carbon-rich molecules: synthesis and isolation of aryl/heteroaryl terminal bis(butadiynes) (HCC‒CC‒Ar‒CC‒CCH) and their applications in the synthesis of oligo(arylenebutadiynylene) molecular wires","Organic & Biomolecular Chemistry","2008","6","11","1934","1937","10.1039/b802968g","","","0.71073","MoKα","","0.1036","0.0444","","","0.0795","0.0945","","","","","","0.903","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150913","5.7609","0.0007","9.0756","0.001","12.6163","0.0014","87.79","0.01","77.87","0.01","77.99","0.01","630.77","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","6-(6-buta-1,3-diynyl-pyridin-3-yl)-2-methyl-hexa-3,5-diyn-2-ol","6-(6-buta-1,3-diynyl-pyridin-3-yl)-2-methyl-hexa-3,5-diyn-2-ol","","- C16 H11 N O -","- C16 H11 N O -","- C32 H22 N2 O2 -","2","1","","West, Kara; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Carbon-rich molecules: synthesis and isolation of aryl/heteroaryl terminal bis(butadiynes) (HCC‒CC‒Ar‒CC‒CCH) and their applications in the synthesis of oligo(arylenebutadiynylene) molecular wires","Organic & Biomolecular Chemistry","2008","6","11","1934","1937","10.1039/b802968g","","","0.71073","MoKα","","0.0632","0.0436","","","0.1068","0.1171","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150914","11.778","0.002","16.333","0.003","21.185","0.005","90","","90","","90","","4075.4","1.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H27 N3 O3 S -","- C20 H27 N3 O3 S -","- C160 H216 N24 O24 S8 -","8","1","","Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian","Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones","Organic & Biomolecular Chemistry","2008","6","14","2574","2586","10.1039/b802997k","","","0.71073","MoKα","","0.0506","0.0506","","0.0603","","0.0603","","","1.032","","","1.032","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150915","9.198","0.002","9.198","0.002","40.598","0.008","90","","90","","90","","3434.7","1.3","293","","293","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C136 H176 N16 O24 -","8","1","","Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian","Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones","Organic & Biomolecular Chemistry","2008","6","14","2574","2586","10.1039/b802997k","","","1.54178","CuKα","","0.0454","0.0454","","0.0484","","0.0484","","","1.565","","","1.565","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150916","11.014","0.001","13.24","0.002","17.939","0.002","90","","90","","90","","2616","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","2","","Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian","Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones","Organic & Biomolecular Chemistry","2008","6","14","2574","2586","10.1039/b802997k","","","0.71073","MoKα","","0.048","0.048","","0.0734","","0.0734","","","0.739","","","0.739","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150917","5.96","0.001","12.835","0.002","16.626","0.001","90","","90","","90","","1271.8","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian","Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones","Organic & Biomolecular Chemistry","2008","6","14","2574","2586","10.1039/b802997k","","","0.71073","MoKα","","0.049","0.049","","0.062","","0.062","","","1.512","","","1.512","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150918","9.819","0.003","11.498","0.003","11.946","0.003","68.553","0.004","69.635","0.004","69.955","0.004","1140.4","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C64 H48 N4 -","2","1","","Nair, Vijay; Nandialath, Vidya; Abhilash, Keecherikunnel G.; Suresh, Eringathodi","An efficient synthesis of indolo[3,2-a]carbazoles via the novel acid catalyzed reaction of indoles and diaryl-1,2-diones","Organic & Biomolecular Chemistry","2008","6","10","1738","1742","10.1039/b803009j","","","0.71073","MoKα","","0.0761","0.0591","","","0.1389","0.1482","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150919","8.2446","0.001","14.3609","0.0017","15.8071","0.0019","111.22","0.002","95.001","0.002","105.513","0.002","1645.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H40 Cl2 N2 O -","- C41 H40 Cl2 N2 O -","- C82 H80 Cl4 N4 O2 -","2","1","","Nair, Vijay; Nandialath, Vidya; Abhilash, Keecherikunnel G.; Suresh, Eringathodi","An efficient synthesis of indolo[3,2-a]carbazoles via the novel acid catalyzed reaction of indoles and diaryl-1,2-diones","Organic & Biomolecular Chemistry","2008","6","10","1738","1742","10.1039/b803009j","","","0.71073","MoKα","","0.1344","0.1089","","","0.2814","0.2994","","","","","","1.091","","","","has coordinates","288193","2023-12-08","17:12:24",""
"7150920","9.4794","0.0005","12.6941","0.0006","16.9496","0.0009","102.548","0.001","102.983","0.001","90.422","0.001","1936.59","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","11-Hydroxy-4-isopropyl-8,13-diaza- tricyclo(7.3.1.0$2,7!)trideca-2(7),3,5,10-tetraene-8,10,13- tricarboxylic acid trimethyl ester","11-Hydroxy-4-isopropyl-8,13-diaza-tricyclo[7.3.1.0^2,7^]trideca- 2(7),3,5,10-tetraene-8,10,13-tricarboxylic acid trimethyl ester","","- C20 H24 N2 O7 -","- C20 H24 N2 O7 -","- C80 H96 N8 O28 -","4","2","","Karapetyan, Vahuni; Mkrtchyan, Satenik; Schmidt, Andreas; Gütlein, Jörg-Peter; Villinger, Alexander; Reinke, Helmut; Jiao, Haijun; Fischer, Christine; Langer, Peter","Synthesis of 3,4-benzo-7-hydroxy-2,9-diazabicyclo[3.3.1]non-7-enes by cyclization of 1,3-bis(silyl enol ethers) with quinazolines","Organic & Biomolecular Chemistry","2008","6","16","2961","2968","10.1039/b803141j","","","0.71073","MoKα","","0.0806","0.0494","","","0.1163","0.1334","","","","","","1.027","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150921","8.4449","0.0001","9.443","0.0002","13.2714","0.0002","95.001","0.001","100.061","0.001","99.238","0.001","1021.29","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","4-tert-Butyl-11-hydroxy-8,13-diaza- tricyclo(7.3.1.0$2,7!)trideca-2(7),3,5,10-tetraene-8,10,13- tricarboxylic acid trimetyl ester","4-tert-Butyl-11-hydroxy-8,13-diaza-tricyclo[7.3.1.0^2,7^]trideca-2(7),3,5,10- tetraene-8,10,13-tricarboxylic acid trimetyl ester","","- C21 H26 N2 O7 -","- C21 H26 N2 O7 -","- C42 H52 N4 O14 -","2","1","","Karapetyan, Vahuni; Mkrtchyan, Satenik; Schmidt, Andreas; Gütlein, Jörg-Peter; Villinger, Alexander; Reinke, Helmut; Jiao, Haijun; Fischer, Christine; Langer, Peter","Synthesis of 3,4-benzo-7-hydroxy-2,9-diazabicyclo[3.3.1]non-7-enes by cyclization of 1,3-bis(silyl enol ethers) with quinazolines","Organic & Biomolecular Chemistry","2008","6","16","2961","2968","10.1039/b803141j","","","0.71073","MoKα","","0.0634","0.0491","","","0.1301","0.1456","","","","","","1.035","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150922","8.2926","0.0002","8.4322","0.0002","13.9059","0.0003","91.236","0.001","98.845","0.001","95.885","0.001","955.05","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","11-Hydroxy-4,5(1',3')-propylene-8,13-diaza- tricyclo(7.3.1.0$2,7!)trideca-2(7),3,5,10-tetraene-8,10,13- tricarboxylic acid trimethyl ester","11-Hydroxy-4,5(1',3')-propylene-8,13-diaza- tricyclo[7.3.1.0^2,7^]trideca-2(7),3,5,10-tetraene-8,10,13- tricarboxylic acid trimethyl ester","","- C20 H22 N2 O7 -","- C20 H22 N2 O7 -","- C40 H44 N4 O14 -","2","1","","Karapetyan, Vahuni; Mkrtchyan, Satenik; Schmidt, Andreas; Gütlein, Jörg-Peter; Villinger, Alexander; Reinke, Helmut; Jiao, Haijun; Fischer, Christine; Langer, Peter","Synthesis of 3,4-benzo-7-hydroxy-2,9-diazabicyclo[3.3.1]non-7-enes by cyclization of 1,3-bis(silyl enol ethers) with quinazolines","Organic & Biomolecular Chemistry","2008","6","16","2961","2968","10.1039/b803141j","","","0.71073","MoKα","","0.0579","0.0522","","","0.1486","0.1569","","","","","","1.053","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150923","8.1758","0.0016","8.9304","0.0018","13.714","0.003","103.88","0.03","96.73","0.03","105.83","0.03","917.1","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","11-Hydroxy-4,5-dimethyl-8,13-diaza- tricyclo(7.3.1.02,7)trideca-2(7),3,5,10-tetraene-8,13-tricarboxylic acid trimethyl ester","11-Hydroxy-4,5-dimethyl-8,13-diaza-tricyclo[7.3.1.02,7]trideca-2(7),3,5,10- tetraene-8,13-tricarboxylic acid trimethyl ester","","- C19 H22 N2 O7 -","- C19 H22 N2 O7 -","- C38 H44 N4 O14 -","2","1","","Karapetyan, Vahuni; Mkrtchyan, Satenik; Schmidt, Andreas; Gütlein, Jörg-Peter; Villinger, Alexander; Reinke, Helmut; Jiao, Haijun; Fischer, Christine; Langer, Peter","Synthesis of 3,4-benzo-7-hydroxy-2,9-diazabicyclo[3.3.1]non-7-enes by cyclization of 1,3-bis(silyl enol ethers) with quinazolines","Organic & Biomolecular Chemistry","2008","6","16","2961","2968","10.1039/b803141j","","","0.71073","MoKα","","0.0542","0.0463","","","0.1068","0.1098","","","","","","1.055","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150924","7.4315","0.0016","8.443","0.0018","21.576","0.005","90","","90","","90","","1353.8","0.5","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans","Organic & Biomolecular Chemistry","2008","6","16","2868","2883","10.1039/b803433h","","","0.71073","MoKα","","0.0459","0.0419","","","0.1064","0.1085","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150925","8.7028","0.0011","13.9149","0.0015","30.493","0.003","90","","90","","90","","3692.7","0.7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H43 F N2 O12.5 -","- C36.5 H43 F N2 O12.5 -","- C146 H172 F4 N8 O50 -","4","1","","Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans","Organic & Biomolecular Chemistry","2008","6","16","2868","2883","10.1039/b803433h","","","0.71073","MoKα","","0.0747","0.0621","","","0.127","0.1312","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150926","7.719","0.003","13.922","0.005","24.899","0.012","90","","90","","90","","2675.7","1.9","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Br N2 O7 S -","- C25 H33 Br N2 O7 S -","- C100 H132 Br4 N8 O28 S4 -","4","1","","Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans","Organic & Biomolecular Chemistry","2008","6","16","2868","2883","10.1039/b803433h","","","0.71073","MoKα","","0.0508","0.0394","","","0.1069","0.1159","","","","","","0.939","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150927","7.5366","0.0002","11.9922","0.0004","21.9804","0.0011","90","","90","","90","","1986.6","0.13","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Br N O2 -","- C22 H26 Br N O2 -","- C88 H104 Br4 N4 O8 -","4","1","","Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans","Organic & Biomolecular Chemistry","2008","6","16","2868","2883","10.1039/b803433h","","","0.71073","MoKα","","0.0436","0.0329","","","0.075","0.0787","","","","","","1.029","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150928","13.851","0.003","4.8284","0.001","35.183","0.007","90","","90","","90","","2353","0.8","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","Methyl 4-(fur-2-yl)-6-trifluormethyl-salicylate","Methyl 4-(fur-2-yl)-6-trifluormethyl-salicylate","","- C13 H9 F3 O4 -","- C13 H9 F3 O4 -","- C104 H72 F24 O32 -","8","2","","Hussain, Ibrar; Riahi, Abdolmajid; Yawer, Mirza Arfan; Villinger, Alexander; Fischer, Christine; Görls, Helmar; Langer, Peter","One-pot synthesis of 6-(thien-2-yl)- and 6-(fur-2-yl)salicylates based on regioselective [3 + 3] cyclocondensations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes","Organic & Biomolecular Chemistry","2008","6","19","3542","3551","10.1039/b803472a","","","0.71073","MoKα","","0.1026","0.0711","","","0.1693","0.1907","","","","","","1.032","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150929","13.84","0.003","4.931","0.001","35.86","0.007","90","","90","","90","","2447.3","0.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","Methyl 4-(thien-2-yl)-6-trifluormethyl-salicylate","Methyl 4-(thien-2-yl)-6-trifluormethyl-salicylate","","- C13 H9 F3 O3 S -","- C13 H9 F3 O3 S -","- C104 H72 F24 O24 S8 -","8","2","","Hussain, Ibrar; Riahi, Abdolmajid; Yawer, Mirza Arfan; Villinger, Alexander; Fischer, Christine; Görls, Helmar; Langer, Peter","One-pot synthesis of 6-(thien-2-yl)- and 6-(fur-2-yl)salicylates based on regioselective [3 + 3] cyclocondensations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes","Organic & Biomolecular Chemistry","2008","6","19","3542","3551","10.1039/b803472a","","","0.71073","MoKα","","0.063","0.0526","","","0.1134","0.1202","","","","","","1.107","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150930","7.0866","0.0005","9.2066","0.0007","10.2121","0.0009","95.843","0.004","105.477","0.005","98.661","0.005","627.7","0.09","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 O3 S -","- C14 H14 O3 S -","- C28 H28 O6 S2 -","2","1","","Hussain, Ibrar; Riahi, Abdolmajid; Yawer, Mirza Arfan; Villinger, Alexander; Fischer, Christine; Görls, Helmar; Langer, Peter","One-pot synthesis of 6-(thien-2-yl)- and 6-(fur-2-yl)salicylates based on regioselective [3 + 3] cyclocondensations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes","Organic & Biomolecular Chemistry","2008","6","19","3542","3551","10.1039/b803472a","","","0.71073","MoKα","","0.1367","0.0757","","","0.1982","0.2341","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150931","11.6696","0.0003","13.9357","0.0003","17.5533","0.0003","101.922","0.0013","98.0811","0.0013","95.1456","0.001","2744.43","0.11","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C35 H31 N3 O2 -","- C35 H31 N3 O2 -","- C140 H124 N12 O8 -","4","2","","Klosterman, Jeremy K.; Linden, Anthony; Siegel, Jay S.","Synthesis of aryl-substituted 2-pyridyl-1,10-phenanthrolines; a series of oriented terpyridine analogues","Organic & Biomolecular Chemistry","2008","6","15","2755","2764","10.1039/b804106g","","","0.71073","MoKα","","0.0932","0.0551","","","0.1272","0.1498","","","","","","1.051","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150932","12.2155","0.0003","14.8014","0.0004","15.6657","0.0004","90","","90","","90","","2832.46","0.13","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 N3 O2 -","- C35 H31 N3 O2 -","- C140 H124 N12 O8 -","4","1","","Klosterman, Jeremy K.; Linden, Anthony; Siegel, Jay S.","Synthesis of aryl-substituted 2-pyridyl-1,10-phenanthrolines; a series of oriented terpyridine analogues","Organic & Biomolecular Chemistry","2008","6","15","2755","2764","10.1039/b804106g","","","0.71073","MoKα","","0.0714","0.0456","","","0.1041","0.1193","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150933","5.1502","0.0003","11.2491","0.0009","26.05","0.002","90","","90.408","0.005","90","","1509.17","0.19","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Schmidt, Andreas; Michalik, Dirk; Rotzoll, Sven; Ullah, Ehsan; Fischer, Christine; Reinke, Helmut; Görls, Helmar; Langer, Peter","Synthesis of azoxabicyclo[3.3.1]nonanones based on diastereoselective reactions of 1,1-bis(trimethylsilyloxy)ketene acetals with isoquinolines and quinolines","Organic & Biomolecular Chemistry","2008","6","15","2804","2814","10.1039/b804139c","","","0.71073","MoKα","","0.121","0.0598","","","0.1252","0.1518","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150934","10.8722","0.001","5.6676","0.0005","12.916","0.0012","90","","106.839","0.001","90","","761.75","0.12","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","diols","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C32 H46 N2 O8 -","2","1","","Pandey, Ganesh; Bharadwaj, Kishor Chandra; Khan, M. Islam; Shashidhara, K. S.; Puranik, Vedavati G.","Synthesis of polyhydroxy piperidines and their analogues: a novel approach towards selective inhibitors of α-glucosidase","Organic & Biomolecular Chemistry","2008","6","14","2587","2595","10.1039/b804278k","","","0.71073","MoKα","","0.0532","0.0482","","","0.1185","0.1252","","","","","","1.143","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150935","10.9255","0.0006","5.6715","0.0003","12.9037","0.0008","90","","107.143","0.001","90","","764.04","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","diols","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C32 H46 N2 O8 -","2","1","","Pandey, Ganesh; Bharadwaj, Kishor Chandra; Khan, M. Islam; Shashidhara, K. S.; Puranik, Vedavati G.","Synthesis of polyhydroxy piperidines and their analogues: a novel approach towards selective inhibitors of α-glucosidase","Organic & Biomolecular Chemistry","2008","6","14","2587","2595","10.1039/b804278k","","","0.71073","MoKα","","0.0607","0.0565","","","0.1142","0.1156","","","","","","1.175","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150936","8.8918","0.0003","15.1623","0.0007","13.7021","0.0005","90","","97.145","0.003","90","","1832.97","0.12","120","","120","","","","","","","","?","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 O2 Si -","- C20 H24 O2 Si -","- C80 H96 O8 Si4 -","4","1","","Robertson, Jeremy; Green, Stuart P.; Hall, Michael J.; Tyrrell, Andrew J.; Unsworth, William P.","Further studies on silatropic carbonyl ene cyclisations: β-crotyl(diphenyl)silyloxy aldehyde substrates; synthesis of 2-deoxy-2-C-phenylhexoses","Organic & Biomolecular Chemistry","2008","6","14","2628","2635","10.1039/b804752a","","","0.71073","MoKα","","","0.0515","","","","0.0584","","","","","","1.0328","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150937","11.989","0.002","10.7196","0.001","13.1319","0.001","90","","98.847","0.009","90","","1667.6","0.3","295","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O4 -","- C19 H13 N3 O4 -","- C76 H52 N12 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","","0.71069","MoKα","","0.2292","0.0509","","","0.1232","0.1403","","","","","","0.628","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150938","7.5107","0.0005","10.4161","0.0008","10.9534","0.0007","111.597","0.003","96.849","0.003","103.339","0.003","755.26","0.09","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C15 H13 Cl N2 O4 -","- C15 H13 Cl N2 O4 -","- C30 H26 Cl2 N4 O8 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0557","0.0493","","","0.1162","0.1196","","","","","","1.146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150939","9.1376","0.0006","9.8479","0.0006","17.8528","0.0013","90","","98.305","0.004","90","","1589.66","0.18","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O3 -","- C19 H13 N3 O3 -","- C76 H52 N12 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0575","0.0443","","","0.11","0.1178","","","","","","1.061","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150940","9.1044","0.0008","9.8097","0.0008","10.3197","0.0009","76.326","0.005","69.235","0.004","87.179","0.004","836.76","0.13","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H12 Cl N3 O3 -","- C19 H12 Cl N3 O3 -","- C38 H24 Cl2 N6 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0496","0.0415","","","0.1141","0.1203","","","","","","1.054","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150941","21.887","0.002","6.6306","0.0008","23.23","0.002","90","","90.527","0.005","90","","3371.1","0.6","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Cl N3 O3 -","- C19 H12 Cl N3 O3 -","- C152 H96 Cl8 N24 O24 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0539","0.0451","","","0.1118","0.1181","","","","","","1.035","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150942","9.0017","0.0012","9.2015","0.0012","11.8723","0.0016","84.823","0.007","69.598","0.007","70.128","0.006","866.4","0.2","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C40 H30 N6 O8 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0632","0.0519","","","0.13","0.1371","","","","","","1.046","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150943","7.4444","0.0005","8.6287","0.0006","12.8065","0.0008","71.202","0.003","87.399","0.003","83.872","0.003","774.25","0.09","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H10 Cl N3 O3 -","- C18 H10 Cl N3 O3 -","- C36 H20 Cl2 N6 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.041","0.038","","","0.0917","0.0936","","","","","","1.053","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150944","7.2738","0.0008","9.1406","0.0009","12.8097","0.0014","72.904","0.004","87.391","0.004","83.669","0.004","809","0.15","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H9 Cl2 N3 O3 -","- C18 H9 Cl2 N3 O3 -","- C36 H18 Cl4 N6 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0333","0.0282","","","0.0691","0.0727","","","","","","1.03","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150945","13.2556","0.0006","6.9193","0.0003","22.4721","0.001","90","","95.608","0.002","90","","2051.26","0.16","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl2 N3 O4 -","- C21 H15 Cl2 N3 O4 -","- C84 H60 Cl8 N12 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.036","0.0349","","","0.0784","0.0791","","","","","","1.128","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150946","11.4743","0.0011","10.6042","0.0012","13.097","0.0014","90","","98.668","0.005","90","","1575.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cl N3 O3 -","- C18 H10 Cl N3 O3 -","- C72 H40 Cl4 N12 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0408","0.0371","","","0.0873","0.0895","","","","","","1.057","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150947","8.5421","0.0006","26.3062","0.0018","8.6602","0.0006","90","","111.132","0.003","90","","1815.2","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H15 Cl N2 O4 -","- C20 H15 Cl N2 O4 -","- C80 H60 Cl4 N8 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0496","0.0394","","","0.0916","0.0967","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150948","7.1149","0.0011","18.63","0.003","13.388","0.002","90","","98.387","0.006","90","","1755.6","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Cl N3 O4 -","- C19 H12 Cl N3 O4 -","- C76 H48 Cl4 N12 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence","Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones","Organic & Biomolecular Chemistry","2008","6","17","3144","3157","10.1039/b804856h","","x-ray","0.71073","MoKα","","0.0887","0.0682","","","0.1876","0.2032","","","","","","1.052","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150949","14.127","0.001","11.91","0.002","7.618","0.002","90","","90","","90","","1281.7","0.4","198","2","198","2","","","","","","","synthesis","4","P n a 21","P 2c -2n","33","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Forke, Ronny; Jäger, Anne; Knölker, Hans-Joachim","First total synthesis of clausine L and pityriazole, a metabolite of the human pathogenic yeast Malassezia furfur","Organic & Biomolecular Chemistry","2008","6","14","2481","2483","10.1039/b805451g","","x-ray","0.71073","MoKα","","0.0829","0.0464","","","0.094","0.1111","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150950","12.061","0.001","22.545","0.001","9.161","0.001","90","","107.45","0.01","90","","2376.4","0.4","293","2","293","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O5 S -","- C28 H20 N2 O5 S -","- C112 H80 N8 O20 S4 -","4","1","","Forke, Ronny; Jäger, Anne; Knölker, Hans-Joachim","First total synthesis of clausine L and pityriazole, a metabolite of the human pathogenic yeast Malassezia furfur","Organic & Biomolecular Chemistry","2008","6","14","2481","2483","10.1039/b805451g","","x-ray","0.71073","MoKα","","0.1021","0.0524","","","0.1031","0.1213","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150951","13.312","0.003","8.618","0.0017","19.427","0.004","90","","103.393","0.005","90","","2168.1","0.8","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O3 -","- C28 H21 N O3 -","- C112 H84 N4 O12 -","4","1","","Joannesse, Caroline; Simal, Carmen; Concellón, Carmen; Thomson, Jennifer E.; Campbell, Craig D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Amidine catalysed O- to C-carboxyl transfer of heterocyclic carbonate derivatives","Organic & Biomolecular Chemistry","2008","6","16","2900","2907","10.1039/b805850d","","","0.71073","MoKα","","0.0909","0.0585","","","0.1332","0.1537","","","","","","1.056","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150952","6.6493","0.0013","10.852","0.002","14.037","0.003","87.214","0.003","85.458","0.003","75.19","0.003","975.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O4 S -","- C22 H22 N2 O4 S -","- C44 H44 N4 O8 S2 -","2","1","","Price Mortimer, Anne J.; Pang, Pui Shan; Aliev, Abil E.; Tocher, Derek A.; Porter, Michael J.","Concise synthesis of bicyclic aminals and their evaluation as precursors to the sarain core","Organic & Biomolecular Chemistry","2008","6","16","2941","2951","10.1039/b806031b","","","0.71073","MoKα","","0.043","0.0392","","","0.1028","0.1059","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150953","16.022","0.005","16.416","0.005","32.819","0.01","90","","101.164","0.005","90","","8469","5","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 B F2 I2 N2 O2 -","- C19 H23 B F2 I2 N2 O2 -","- C304 H368 B16 F32 I32 N32 O32 -","16","4","","Maeda, Hiromitsu; Haketa, Yohei","Selective iodinated dipyrrolyldiketone BF2 complexes as potential building units for oligomeric systems","Organic & Biomolecular Chemistry","2008","6","17","3091","3095","10.1039/b806161k","","","0.71073","MoKα","","0.0751","0.0658","","","0.1524","0.1608","","","","","","1.253","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150954","10.962","0.007","11.536","0.006","12.261","0.006","77.123","0.017","75.75","0.02","62.248","0.019","1319.3","1.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 B F2 N2 O2 -","- C31 H33 B F2 N2 O2 -","- C62 H66 B2 F4 N4 O4 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei","Selective iodinated dipyrrolyldiketone BF2 complexes as potential building units for oligomeric systems","Organic & Biomolecular Chemistry","2008","6","17","3091","3095","10.1039/b806161k","","","0.71075","MoKα","","0.1034","0.0537","","","0.1485","0.1746","","","","","","0.977","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150955","9.563","0.001","9.483","0.001","18.527","0.003","90","","101.93","0.01","90","","1643.8","0.4","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 Br3 P S3 -","- C12 H6 Br3 P S3 -","- C48 H24 Br12 P4 S12 -","4","1","","Leriche, Philippe; Aillerie, David; Roquet, Sophie; Allain, Magali; Cravino, Antonio; Frère, Pierre; Roncali, Jean","3D-conjugated systems based on oligothiophenes and phosphorus nodes","Organic & Biomolecular Chemistry","2008","6","17","3202","3207","10.1039/b806169f","","x-ray","0.71073","MoKα","","","0.0404","","","","0.096","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150956","9.8214","0.0009","9.4798","0.0008","18.488","0.002","90","","102.87","0.01","90","","1678.1","0.3","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 Br3 O P S3 -","- C12 H6 Br3 O P S3 -","- C48 H24 Br12 O4 P4 S12 -","4","1","","Leriche, Philippe; Aillerie, David; Roquet, Sophie; Allain, Magali; Cravino, Antonio; Frère, Pierre; Roncali, Jean","3D-conjugated systems based on oligothiophenes and phosphorus nodes","Organic & Biomolecular Chemistry","2008","6","17","3202","3207","10.1039/b806169f","","","0.71073","MoKα","","","0.0538","","","","0.1546","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150957","7.2451","0.0007","7.3525","0.0007","9.3666","0.0009","90","","93.255","0.002","90","","498.15","0.08","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C22 H32 O4 -","2","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar","Combining multi-catalysis and multi-component systems for the development of one-pot asymmetric reactions: stereoselective synthesis of highly functionalized bicyclo[4.4.0]decane-1,6-diones","Organic & Biomolecular Chemistry","2008","6","14","2488","2492","10.1039/b806243a","","","0.71073","MoKα","","0.0429","0.0394","","","0.0988","0.1017","","","","","","1.105","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150958","8.03","0.002","10.027","0.002","22.837","0.005","90","","90","","90","","1838.8","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Cl3 N O2 Si -","- C13 H20 Cl3 N O2 Si -","- C52 H80 Cl12 N4 O8 Si4 -","4","1","","Pattenden, Gerald; Rescourio, Gwenaëlla","A new synthetic approach to (+)-lactacystin based on radical cyclisation of enantiopure α-ethynyl substituted serine derivatives to 4-methylenepyrrolidinones","Organic & Biomolecular Chemistry","2008","6","18","3428","3438","10.1039/b806681g","","","0.71073","MoKα","","0.0703","0.0373","","","0.0447","0.0488","","","","","","0.77","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150959","7.8582","0.0005","10.1699","0.0007","11.6933","0.0008","101.767","0.001","103.314","0.001","98.322","0.001","872.06","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C40 H46 N2 O6 S2 -","2","1","","Chau, Chi-Min; Liu, Kuan-Miao","Diels‒Alder reactions of three fused nitrogen-containing bicyclic enones: an efficient method toward novel nitrogen-containing angular tricyclic skeletons","Organic & Biomolecular Chemistry","2008","6","17","3127","3134","10.1039/b806773m","","","0.71073","MoKα","","0.0708","0.0479","","","0.1231","0.1329","","","","","","1.034","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150960","9.6137","0.0006","12.345","0.0008","15.2962","0.0009","90","","106.767","0.001","90","","1738.19","0.19","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Chau, Chi-Min; Liu, Kuan-Miao","Diels‒Alder reactions of three fused nitrogen-containing bicyclic enones: an efficient method toward novel nitrogen-containing angular tricyclic skeletons","Organic & Biomolecular Chemistry","2008","6","17","3127","3134","10.1039/b806773m","","","0.71073","MoKα","","0.087","0.0576","","","0.1323","0.146","","","","","","1.034","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150961","16.537","0.003","12.716","0.002","16.984","0.003","90","","90","","90","","3571.5","1.1","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C152 H168 N8 O32 S8 -","8","2","","Chau, Chi-Min; Liu, Kuan-Miao","Diels‒Alder reactions of three fused nitrogen-containing bicyclic enones: an efficient method toward novel nitrogen-containing angular tricyclic skeletons","Organic & Biomolecular Chemistry","2008","6","17","3127","3134","10.1039/b806773m","","","0.71073","MoKα","","0.1826","0.1268","","","0.2733","0.3135","","","","","","1.011","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150962","9.8195","0.0001","25.2307","0.0003","11.4069","0.0002","90","","112.646","0.0005","90","","2608.2","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N3 O5 -","- C32 H27 N3 O5 -","- C128 H108 N12 O20 -","4","1","","Groenendaal, Bas; Ruijter, Eelco; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Orru, Romano V. A.","Generation of molecular diversity using a complexity-generating MCR-platform towards triazinane diones","Organic & Biomolecular Chemistry","2008","6","17","3158","3165","10.1039/b807138a","","","0.71073","MoKα","","0.0716","0.0464","","","0.1247","0.1416","","","","","","1.085","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150963","9.0489","0.0003","9.1351","0.0003","14.2792","0.0005","96.789","0.002","103.99","0.002","99.109","0.002","1115.71","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H71 N2 O3 S3 -","- C45 H71 N2 O3 S3 -","- C45 H71 N2 O3 S3 -","1","0.5","","Gu, Rong; Robeyns, Koen; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim","Facile synthesis of novel indolo[3,2-b]carbazole derivatives and a chromogenic-sensing 5,12-dihydroindolo[3,2-b]carbazole","Organic & Biomolecular Chemistry","2008","6","14","2484","2487","10.1039/b807255h","","","1.54178","CuKα","","0.0861","0.0798","","","0.1757","0.1783","","","","","","1.25","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150964","5.7658","0.0009","12.225","0.0015","13.2296","0.0015","79.379","0.007","81.877","0.009","88.968","0.009","907.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H50 N2 -","- C46 H50 N2 -","- C46 H50 N2 -","1","0.5","","Gu, Rong; Robeyns, Koen; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim","Facile synthesis of novel indolo[3,2-b]carbazole derivatives and a chromogenic-sensing 5,12-dihydroindolo[3,2-b]carbazole","Organic & Biomolecular Chemistry","2008","6","14","2484","2487","10.1039/b807255h","","","1.54178","CuKα","","0.0824","0.0577","","","0.1384","0.1523","","","","","","1.024","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150965","11","0.006","12.348","0.006","9.398","0.007","90","","103.58","0.02","90","","1240.8","1.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Matsuhira, Takashi; Tsuchihashi, Kazuki; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu","Novel photosystem involving protonation and deprotonation processes modelled on a PYP photocycle","Organic & Biomolecular Chemistry","2008","6","17","3118","3126","10.1039/b807417h","","","0.71075","MoKα","","0.1291","0.0697","","","0.1113","0.129","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150966","12.94","0.005","9.252","0.005","20.599","0.011","90","","90","","90","","2466","2","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","","Matsuhira, Takashi; Tsuchihashi, Kazuki; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu","Novel photosystem involving protonation and deprotonation processes modelled on a PYP photocycle","Organic & Biomolecular Chemistry","2008","6","17","3118","3126","10.1039/b807417h","","","0.71075","MoKα","","0.1008","0.0579","","","0.1136","0.1276","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150967","14.495","0.003","15.945","0.004","17.142","0.004","87.527","0.006","68.186","0.004","81.798","0.006","3640.4","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N9 O9 S5 -","- C27 H35 N9 O9 S5 -","- C108 H140 N36 O36 S20 -","4","2","","Duke, Rebecca M.; O'Brien, John E.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Colorimetric sensing of anions in aqueous solution using a charge neutral, cleft-like, amidothiourea receptor: tilting the balance between hydrogen bonding and deprotonation in anion recognition","Organic & Biomolecular Chemistry","2008","6","22","4089","4092","10.1039/b807579d","","","0.7107","MoKα","","0.067","0.0623","","","0.1495","0.1534","","","","","","1.063","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150968","7.9717","0.0001","20.6854","0.0003","11.1804","0.0002","90","","101.143","0.0007","90","","1808.87","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 O3 S -","- C25 H16 O3 S -","- C100 H64 O12 S4 -","4","1","","Gabbutt, Christopher D.; Heron, B. Mark; Kolla, Suresh B.; Kilner, Colin; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.","Ring contraction during the 6π-electrocyclisation of naphthopyran valence tautomers","Organic & Biomolecular Chemistry","2008","6","17","3096","3104","10.1039/b807744d","","x-ray","0.71073","MoKα","","0.0483","0.0396","","","0.1011","0.1084","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150969","19.3719","0.0008","11.51","0.0005","16.4409","0.0006","90","","99.926","0.002","90","","3611","0.3","150","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 O2 S -","- C25 H16 O2 S -","- C200 H128 O16 S8 -","8","1","","Gabbutt, Christopher D.; Heron, B. Mark; Kolla, Suresh B.; Kilner, Colin; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.","Ring contraction during the 6π-electrocyclisation of naphthopyran valence tautomers","Organic & Biomolecular Chemistry","2008","6","17","3096","3104","10.1039/b807744d","","","0.71073","MoKα","","0.0486","0.037","","","0.0875","0.0936","","","","","","1.025","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150970","11.1939","0.0005","14.0344","0.0004","11.7187","0.0005","90","","101.498","0.002","90","","1804.06","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 O2 S -","- C25 H16 O2 S -","- C100 H64 O8 S4 -","4","1","","Gabbutt, Christopher D.; Heron, B. Mark; Kolla, Suresh B.; Kilner, Colin; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.","Ring contraction during the 6π-electrocyclisation of naphthopyran valence tautomers","Organic & Biomolecular Chemistry","2008","6","17","3096","3104","10.1039/b807744d","","","0.71073","MoKα","","0.1094","0.0671","","","0.1124","0.1255","","","","","","1.065","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150971","11.3454","0.0002","13.4896","0.0002","11.5736","0.0003","90","","96.365","0.001","90","","1760.36","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 O2 S -","- C25 H16 O2 S -","- C100 H64 O8 S4 -","4","1","","Gabbutt, Christopher D.; Heron, B. Mark; Kolla, Suresh B.; Kilner, Colin; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.","Ring contraction during the 6π-electrocyclisation of naphthopyran valence tautomers","Organic & Biomolecular Chemistry","2008","6","17","3096","3104","10.1039/b807744d","","","0.71073","MoKα","","0.0389","0.0364","","","0.0926","0.0943","","","","","","1.056","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150972","10.805","0.004","12.994","0.005","7.924","0.003","90","","110.696","0.006","90","","1040.7","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(2-nitro-benzyl)-cyclopentane-1, 3-dione (7i)","","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","","Ramachary, Dhevalapally B.; Kishor, Mamillapalli","Direct amino acid-catalyzed cascade biomimetic reductive alkylations: application to the asymmetric synthesis of Hajos‒Parrish ketone analogues","Organic & Biomolecular Chemistry","2008","6","22","4176","4187","10.1039/B807999d","","","0.71073","MoKα","","0.0696","0.0422","","","0.1027","0.1157","","","","","","1.021","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150973","9.319","0.003","6.15","0.0017","15.347","0.004","90","","90.088","0.005","90","","879.6","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C46 H42 N2 O4 -","2","1","","Imai, Yoshitane; Kamon, Kensaku; Murata, Katuzo; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Preparation of a spontaneous resolution chiral fluorescent system using 2-anthracenecarboxylic acid","Organic & Biomolecular Chemistry","2008","6","19","3471","3475","10.1039/b808242a","","","0.71073","MoKα","","0.0663","0.0518","","","0.1093","0.1198","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150974","10.9057","0.0009","6.1084","0.0005","14.6448","0.0012","90","","102.431","0.001","90","","952.71","0.14","135","2","135","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C46 H54 N2 O4 -","2","1","","Imai, Yoshitane; Kamon, Kensaku; Murata, Katuzo; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Preparation of a spontaneous resolution chiral fluorescent system using 2-anthracenecarboxylic acid","Organic & Biomolecular Chemistry","2008","6","19","3471","3475","10.1039/b808242a","","","0.71073","MoKα","","0.0559","0.0453","","","0.1058","0.1123","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150975","18.2494","0.0014","6.5375","0.0005","17.7953","0.0013","90","","99.532","0.001","90","","2093.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N O2 -","- C26 H27 N O2 -","- C104 H108 N4 O8 -","4","1","","Imai, Yoshitane; Kamon, Kensaku; Murata, Katuzo; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Preparation of a spontaneous resolution chiral fluorescent system using 2-anthracenecarboxylic acid","Organic & Biomolecular Chemistry","2008","6","19","3471","3475","10.1039/b808242a","","","0.71073","MoKα","","0.094","0.0674","","","0.1367","0.1486","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150976","7.76","0.001","10.508","0.001","15.461","0.001","90","","90","","90","","1260.7","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-naphthalene","","- C14 H19 Br -","- C14 H19 Br -","- C56 H76 Br4 -","4","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","0.71073","MoKα","","0.0201","0.017","","","0.0402","0.0413","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150977","6.0434","0.0007","13.3512","0.0015","22.597","0.002","90","","90","","90","","1823.3","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-trimethylsilylethynyl-1,1,4,4-tetramethyl-1,2,3,4- tetrahydronaphthalene","","- C19 H28 Si -","- C19 H28 Si -","- C76 H112 Si4 -","4","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","0.71073","MoKα","","0.0431","0.0349","","","0.0772","0.0813","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150978","8.3245","0.0007","14.6772","0.0012","10.6166","0.0009","90","","102.35","0.01","90","","1267.12","0.19","120","2","120","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","6-Ethynyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene","","- C16 H20 -","- C16 H20 -","- C64 H80 -","4","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","0.71073","MoKα","","0.0621","0.0497","","","0.1214","0.1287","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150979","8.3105","0.001","10.699","0.0013","15.0376","0.0019","90","","99.67","0.01","90","","1318.1","0.3","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-iodo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene","","- C14 H19 I -","- C14 H19 I -","- C56 H76 I4 -","4","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","0.71073","MoKα","","0.0255","0.0209","","","0.0496","0.0511","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150980","8.0253","0.0004","8.1167","0.0003","15.0326","0.0007","90","0.01","84.5","0.01","79.19","0.01","957.24","0.08","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2- ylethynyl)benzoic acid methyl ester","","- C24 H26 O2 -","- C24 H26 O2 -","- C48 H52 O4 -","2","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","1.54178","CuKα","","0.0481","0.0458","","","0.1266","0.1287","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150981","14.2333","0.0016","5.9012","0.0006","23.004","0.002","90","","90.534","0.003","90","","1932.1","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2- ylethynyl)benzoic acid methyl ester","","- C24 H26 O2 -","- C24 H26 O2 -","- C96 H104 O8 -","4","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","0.71073","MoKα","","0.0651","0.0436","","","0.099","0.1077","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150982","8.5833","0.0017","10.109","0.002","10.778","0.002","106.89","0.03","92.62","0.03","108.79","0.03","837.1","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F3 N O4 S -","- C18 H14 F3 N O4 S -","- C36 H28 F6 N2 O8 S2 -","2","1","","Niu, Hao-Tao; Su, Dongdong; Jiang, Xueliang; Yang, Wenzhi; Yin, Zhenming; He, Jiaqi; Cheng, Jin-Pei","A simple yet highly selective colorimetric sensor for cyanide anion in an aqueous environment","Organic & Biomolecular Chemistry","2008","6","17","3038","3040","10.1039/b808589g","","","0.71073","MoKα","","0.045","0.0359","","","0.1042","0.1081","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150983","8.5309","0.0004","11.6667","0.0006","20.2195","0.0011","90","","100.9","0.004","90","","1976.09","0.18","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C84 H100 N4 O12 S4 -","4","2","","Cariou, Claire A. M.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations","Organic & Biomolecular Chemistry","2008","6","18","3337","3348","10.1039/B808644c","","","1.54178","CuKα","","0.036","0.0326","","","0.0809","0.0835","","","","","","1.011","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150984","9.7846","0.0005","20.8046","0.0011","9.7963","0.0005","90","","109.656","0.004","90","","1877.98","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Cl N O5 S -","- C16 H21 Cl N O5 S -","- C64 H84 Cl4 N4 O20 S4 -","4","1","","Cariou, Claire A. M.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations","Organic & Biomolecular Chemistry","2008","6","18","3337","3348","10.1039/B808644c","","","1.54178","CuKα","","0.0611","0.0575","","","0.1897","0.1955","","","","","","1.032","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150985","10.6519","0.0002","11.7291","0.0002","14.7538","0.0003","74.598","0.001","82.568","0.001","64.379","0.001","1602.14","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C64 H76 N4 O16 S4 -","4","2","","Cariou, Claire A. M.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations","Organic & Biomolecular Chemistry","2008","6","18","3337","3348","10.1039/B808644c","","","1.54178","CuKα","","0.0721","0.0531","","","0.1411","0.1589","","","","","","1.039","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150986","9.6771","0.0012","8.3153","0.0012","12.6634","0.0017","90","","103.075","0.007","90","","992.6","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C42 H50 N2 O6 S2 -","2","1","","Cariou, Claire A. M.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations","Organic & Biomolecular Chemistry","2008","6","18","3337","3348","10.1039/B808644c","","","0.71069","MoKα","","0.0469","0.043","","","0.0917","0.095","","","","","","1.149","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150987","7.7495","0.0007","10.1805","0.0009","13.3793","0.0012","93.494","0.002","91.931","0.002","109.458","0.002","991.77","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C46 H44 O12 -","2","1","","Jiang, Xuefeng; Kong, Wangqing; Chen, Jie; Ma, Shengming","Intermolecular sequential [4 + 2]-cycloaddition‒aromatization reaction of aryl-substituted allenes with DMAD affording phenanthrene and naphthalene derivatives","Organic & Biomolecular Chemistry","2008","6","19","3606","3610","10.1039/b808767a","","","0.71073","MoKα","","0.0693","0.0525","","","0.1429","0.1539","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150988","11.33","0.01","22","0.019","9.42","0.008","90","","98.108","0.015","90","","2325","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 O5 P -","- C27 H23 O5 P -","- C108 H92 O20 P4 -","4","1","","Jiang, Xuefeng; Kong, Wangqing; Chen, Jie; Ma, Shengming","Intermolecular sequential [4 + 2]-cycloaddition‒aromatization reaction of aryl-substituted allenes with DMAD affording phenanthrene and naphthalene derivatives","Organic & Biomolecular Chemistry","2008","6","19","3606","3610","10.1039/b808767a","","","0.71073","MoKα","","0.0804","0.056","","","0.1453","0.158","","","","","","0.948","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150989","25.808","0.002","19.667","0.002","25.792","0.002","90","","93.206","0.007","90","","13071","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H80 N8 O13 -","- C72 H80 N8 O13 -","- C576 H640 N64 O104 -","8","2","","Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Cavaleri, Julien; Hubscher-Bruder, Véronique; Thondorf, Iris; Werner, Sabine","Cyclic tetraureas with variable flexibility ‒ synthesis, crystal structures and properties","Organic & Biomolecular Chemistry","2008","6","18","3244","3255","10.1039/b808773c","","","0.71073","MoKα","","0.2012","0.0476","","","0.0663","0.0915","","","","","","0.562","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150990","14.9282","0.0013","18.9297","0.0017","19.2836","0.0016","61.351","0.006","86.758","0.007","71.553","0.007","4506.7","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C89 H106 N10 O8 -","- C89 H106 N10 O8 -","- C178 H212 N20 O16 -","2","1","","Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Cavaleri, Julien; Hubscher-Bruder, Véronique; Thondorf, Iris; Werner, Sabine","Cyclic tetraureas with variable flexibility ‒ synthesis, crystal structures and properties","Organic & Biomolecular Chemistry","2008","6","18","3244","3255","10.1039/b808773c","","","0.71073","MoKα","","0.1361","0.0992","","","0.286","0.3104","","","","","","1.187","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150991","29.728","0.0013","16.135","0.0005","20.0431","0.0009","90","","107.696","0.003","90","","9159","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C95 H130 N8 O13 -","- C95 H130 N8 O13 -","- C380 H520 N32 O52 -","4","1","","Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Cavaleri, Julien; Hubscher-Bruder, Véronique; Thondorf, Iris; Werner, Sabine","Cyclic tetraureas with variable flexibility ‒ synthesis, crystal structures and properties","Organic & Biomolecular Chemistry","2008","6","18","3244","3255","10.1039/b808773c","","","0.71073","MoKα","","0.1171","0.0873","","","0.2404","0.2593","","","","","","1.015","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150992","24.5125","0.0002","9.8211","0.0001","30.9595","0.0004","90","","106.71","0.0005","90","","7138.47","0.13","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H18 Cl6.67 N0.67 O4.67 -","- C17.5 H18 Cl6.66667 N0.666667 O4.66667 -","- C210 H216 Cl80 N8 O56 -","12","1.5","","Aciro, Caroline; Claridge, Timothy D. W.; Davies, Stephen G.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Ammonium-directed dihydroxylation of 3-aminocyclohex-1-enes: development of a metal-free dihydroxylation protocol","Organic & Biomolecular Chemistry","2008","6","20","3751","3761","10.1039/b808811j","","","0.71073","MoKα","","0.1129","0.0918","","0.1107","0.0951","0.0951","","","","","","1.0849","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150993","10.8392","0.0001","28.0222","0.0003","12.2118","0.0001","90","","110.557","0.0005","90","","3473","0.06","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C160 H200 N8 O16 -","8","2","","Aciro, Caroline; Davies, Stephen G.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Ammonium-directed dihydroxylation: metal-free synthesis of the diastereoisomers of 3-aminocyclohexane-1,2-diol","Organic & Biomolecular Chemistry","2008","6","20","3762","3770","10.1039/b808812h","","","0.71073","MoKα","","0.085","0.0453","","0.0861","0.0459","0.0426","","","","","","1.1211","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150994","7.6397","0.0009","10.614","0.001","10.778","0.001","83.827","0.008","80.863","0.009","79.643","0.009","846","0.15","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N O5 S -","- C16 H19 N O5 S -","- C32 H38 N2 O10 S2 -","2","1","","Horino, Yoshikazu; Takata, Yasushi; Hashimoto, Ken; Kuroda, Shigeyasu; Kimura, Masanari; Tamaru, Yoshinao","Gold-catalyzed intermolecular addition of alcohols toward the allenic bond of 4-vinylidene-2-oxazolidinones","Organic & Biomolecular Chemistry","2008","6","22","4105","4107","10.1039/b808921c","","","0.7107","MoKα","","","0.0502","","","","0.1437","","","","","","1.894","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150995","13.838","0.011","6.873","0.006","22.068","0.019","90","","96.71","0.015","90","","2084","3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[3'-azido-4'-phenylazetidine-2'-one-1'-yl]ethane","","- C20 H18 N8 O2 -","- C20 H18 N8 O2 -","- C80 H72 N32 O8 -","4","1","","Vatmurge, Namdev S.; Hazra, Braja G.; Pore, Vandana S.; Shirazi, Fazal; Deshpande, Mukund V.; Kadreppa, Sreenath; Chattopadhyay, Samit; Gonnade, Rajesh G.","Synthesis and biological evaluation of bile acid dimers linked with 1,2,3-triazole and bis-β-lactam","Organic & Biomolecular Chemistry","2008","6","20","3823","3830","10.1039/B809221d","","","0.71073","MoKα","","0.0699","0.0541","","","0.1327","0.1433","","","","","","1.068","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150996","13.196","0.008","5.751","0.004","13.632","0.008","90","","109.453","0.009","90","","975.5","1.1","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[3'-azido-4'-phenylazetidine-2'-one-1'-yl]-2- [3""-azido-4""-phenylazetidine-2""-one-1""-yl]ethane","","- C20 H18 N8 O2 -","- C20 H18 N8 O2 -","- C40 H36 N16 O4 -","2","0.5","","Vatmurge, Namdev S.; Hazra, Braja G.; Pore, Vandana S.; Shirazi, Fazal; Deshpande, Mukund V.; Kadreppa, Sreenath; Chattopadhyay, Samit; Gonnade, Rajesh G.","Synthesis and biological evaluation of bile acid dimers linked with 1,2,3-triazole and bis-β-lactam","Organic & Biomolecular Chemistry","2008","6","20","3823","3830","10.1039/B809221d","","","0.71073","MoKα","","0.0399","0.0359","","","0.0896","0.093","","","","","","1.07","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150997","6.088","0.0012","14.543","0.003","9.779","0.002","90","","90.63","0.03","90","","865.8","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl N2 O -","- C20 H21 Cl N2 O -","- C40 H42 Cl2 N4 O2 -","2","1","","Kang, Tai-Ran; Xie, Jian-Wu; Du, Wei; Feng, Xin; Chen, Ying-Chun","Stereoselective desymmetrisation of prochiral α,α-dicyanoalkenes via domino Michael‒Michael addition reactions","Organic & Biomolecular Chemistry","2008","6","15","2673","2675","10.1039/b809308c","","","0.71073","MoKα","","0.0332","0.0294","","","0.0737","0.0753","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150998","8.3859","0.0013","10.982","0.0014","11.3351","0.0016","109.105","0.011","95.714","0.012","93.578","0.012","976.5","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","1-((1-Methoxycyclohexyl)peroxy)cyclododecyl hydroperoxide","1-[(1-Methoxycyclohexyl)peroxy]cyclododecyl hydroperoxide","","- C19 H36 O5 -","- C19 H36 O5 -","- C38 H72 O10 -","2","1","","Terent'ev, Alexander O.; Platonov, Maxim M.; Krylov, Igor B.; Chernyshev, Vladimir V.; Nikishin, Gennady I.","Synthesis of 1-hydroperoxy-1′-alkoxyperoxides by the iodine-catalyzed reactions of geminal bishydroperoxides with acetals or enol ethers","Organic & Biomolecular Chemistry","2008","6","23","4435","4441","10.1039/b809661a","","x-ray","1.54184","CuKα","","0.1259","0.0518","","","0.1215","0.1959","","","","","","0.936","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150999","16.4885","0.0003","26.3581","0.0006","23.3178","0.0005","90","","109.279","0.001","90","","9565.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H129 Cl2 N9 O19 Zn -","- C88 H127 Cl2 N9 O19 Zn -","- C352 H508 Cl8 N36 O76 Zn4 -","4","1","","Coquière, David; Marrot, Jérôme; Reinaud, Olivia","Spectacular induced-fit process for guest binding by a calix[6]arene Zn(ii) funnel complex","Organic & Biomolecular Chemistry","2008","6","21","3930","3934","10.1039/b809699f","","","0.71073","MoKα","","0.0874","0.0608","","","0.1782","0.1922","","","","","","1.109","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7151000","16.0388","0.0006","16.3548","0.0007","20.0055","0.0009","75.968","0.002","78.527","0.002","88.231","0.002","4988.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H102 Cl2 N10 O16 Zn -","- C82 H102 Cl2 N10 O16 Zn -","- C164 H204 Cl4 N20 O32 Zn2 -","2","1","","Coquière, David; Marrot, Jérôme; Reinaud, Olivia","Spectacular induced-fit process for guest binding by a calix[6]arene Zn(ii) funnel complex","Organic & Biomolecular Chemistry","2008","6","21","3930","3934","10.1039/b809699f","","","0.71073","MoKα","","0.1435","0.0741","","","0.1927","0.2158","","","","","","0.869","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151001","19.874","0.003","25.382","0.004","23.188","0.003","90","","114.988","0.006","90","","10602","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H96 Cl2 N10 O14 Zn -","- C79 H96 Cl2 N10 O14 Zn -","- C316 H384 Cl8 N40 O56 Zn4 -","4","1","","Coquière, David; Marrot, Jérôme; Reinaud, Olivia","Spectacular induced-fit process for guest binding by a calix[6]arene Zn(ii) funnel complex","Organic & Biomolecular Chemistry","2008","6","21","3930","3934","10.1039/b809699f","","","0.71073","MoKα","","0.191","0.1406","","","0.3437","0.3715","","","","","","1.04","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151002","15.488","0.003","8.544","0.0017","10.372","0.002","90","","108.95","0.03","90","","1298.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl O5 S -","- C11 H11 Cl O5 S -","- C44 H44 Cl4 O20 S4 -","4","1","","Rahn, Thomas; Dang, T. H. Tam; Spannenberg, Anke; Fischer, Christine; Langer, Peter","Regioselective synthesis of functionalized 3,5-diketoesters and 2,4-diketosulfones by uncatalyzed condensation of 1-methoxy-1,3-bis(trimethylsilyloxy)-1,3-butadienes with α,β-unsaturated acid chlorides and sulfonyl chlorides","Organic & Biomolecular Chemistry","2008","6","18","3366","3370","10.1039/b810151e","","","0.71073","MoKα","","0.087","0.0442","","","0.0979","0.1065","","","","","","0.852","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151003","13.076","0.004","4.98","0.002","21.362","0.011","90","","103.18","0.03","90","","1354.4","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C60 H66 N6 O12 -","6","3","","Boyd, Derek R.; Sharma, Narain D.; Coen, Gerard P.; Hempenstall, Francis; Ljubez, Vera; Malone, John F.; Allen, Christopher C. R.; Hamilton, John T. G.","Regioselectivity and stereoselectivity of dioxygenase catalysed cis-dihydroxylation of mono- and tri-cyclic azaarene substrates","Organic & Biomolecular Chemistry","2008","6","21","3957","3966","10.1039/b810235j","","","1.54178","CuKα","","0.0752","0.0741","","","0.2037","0.2061","","","","","","1.033","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151004","15.561","0.006","6.152","0.002","11.984","0.006","90","","122.08","0.03","90","","972.1","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Coen, Gerard P.; Hempenstall, Francis; Ljubez, Vera; Malone, John F.; Allen, Christopher C. R.; Hamilton, John T. G.","Regioselectivity and stereoselectivity of dioxygenase catalysed cis-dihydroxylation of mono- and tri-cyclic azaarene substrates","Organic & Biomolecular Chemistry","2008","6","21","3957","3966","10.1039/b810235j","","","1.54178","CuKα","","0.0324","0.0321","","","0.0844","0.0848","","","","","","1.141","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151005","13.2254","0.0013","11.3377","0.0012","14.1441","0.0015","90","","117.874","0.002","90","","1874.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N5 O2 -","- C21 H15 N5 O2 -","- C84 H60 N20 O8 -","4","1","","Guan, Xiao-Yang; Shi, Min","A convenient three-component reaction leading to the synthesis of polysubstituted cyclohexene derivatives","Organic & Biomolecular Chemistry","2008","6","19","3616","3620","10.1039/b810299f","","","0.71073","MoKα","","0.0884","0.0561","","","0.1011","0.1131","","","","","","0.993","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151006","23.2536","0.001","23.2536","0.001","17.77","0.0011","90","","90","","120","","8321.4","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C21 H16 N5 O2.33 -","- C21 H16 N5 O2.33333 -","- C378 H288 N90 O42 -","18","1","","Guan, Xiao-Yang; Shi, Min","A convenient three-component reaction leading to the synthesis of polysubstituted cyclohexene derivatives","Organic & Biomolecular Chemistry","2008","6","19","3616","3620","10.1039/b810299f","","","0.71073","MoKα","","0.0744","0.0514","","","0.133","0.1418","","","","","","1.02","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151007","10.4911","0.0005","12.2289","0.0006","16.1319","0.0007","90","","90","","90","","2069.64","0.17","110","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Farran, Daniel; Parrot, Isabelle; Toupet, Loïc; Martinez, Jean; Dewynter, Georges","Transannular rearrangement of activated 2,5-diketopiperazines: a key route to original scaffolds","Organic & Biomolecular Chemistry","2008","6","21","3989","3996","10.1039/b810352f","","","0.71069","MoKα","","0.0351","0.0267","","","0.0697","0.0728","","","","","","0.724","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151008","17.454","0.003","9.6156","0.0013","16.561","0.002","90","","109.463","0.004","90","","2620.6","0.7","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N4 O S2 Si -","- C25 H30 N4 O S2 Si -","- C100 H120 N16 O4 S8 Si4 -","4","1","","Kirkman, Joseph K.; Lindell, Stephen D.; Maechling, Simon; Slawin, Alexandra M. Z.; Moody, Christopher J.","Synthesis of 3-(carboxyarylalkyl)imidazo[2,1-f][1,2,4]triazines as potential inhibitors of AMP deaminase","Organic & Biomolecular Chemistry","2008","6","23","4452","4459","10.1039/b810850a","","","0.71073","MoKα","","0.0313","0.0292","","","0.074","0.0757","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151009","8.342","0.001","5.8896","0.0007","26.712","0.003","90","","90.634","0.002","90","","1312.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Linder, Jörg; Blake, Alexander J.; Moody, Christopher J.","Total synthesis of siphonazole and its O-methyl derivative, structurally unusual bis-oxazole natural products","Organic & Biomolecular Chemistry","2008","6","21","3908","3916","10.1039/b810855b","","","0.71073","MoKα","","0.0492","0.0429","","","0.117","0.122","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151010","14.3877","0.0007","16.3592","0.0007","21.4727","0.001","90","","90","","90","","5054.1","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C55 H61 F6 N3 O P2 Pd -","- C55 H61 F6 N3 O P2 Pd -","- C220 H244 F24 N12 O4 P8 Pd4 -","4","1","","Maxwell, Aoife C.; Franc, Celine; Pouchain, Laurent; Müller-Bunz, Helge; Guiry, Patrick J.","Electronically varied quinazolinaps for asymmetric catalysis","Organic & Biomolecular Chemistry","2008","6","20","3848","3853","10.1039/b810936b","","","0.71073","MoKα","","0.0367","0.0333","","","0.0761","0.0777","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151011","5.835","0.003","8.91","0.004","12.876","0.005","69.902","0.006","78.323","0.007","80.933","0.007","612.8","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H6 Br N O3 -","- C15 H6 Br N O3 -","- C30 H12 Br2 N2 O6 -","2","1","","Jones, Paul B.; Brinson, Robert G.; Sarma, Saurav J.; Elkazaz, Salwa","Observation of heavy atom effects in the development of water soluble caged 4-hydroxy-trans-2-nonenal","Organic & Biomolecular Chemistry","2008","6","22","4204","4211","10.1039/B810954k","","","0.71073","MoKα","","0.0602","0.0428","","","0.0924","0.0999","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151012","9.8353","0.0007","17.4256","0.0013","31.038","0.002","90","","90","","90","","5319.5","0.6","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O3 S -","- C13 H17 N O3 S -","- C208 H272 N16 O48 S16 -","16","4","","Coote, Susannah C.; O'Brien, Peter; Whitwood, Adrian C.","Stereoselective aziridination of cyclic allylic alcohols using chloramine-T","Organic & Biomolecular Chemistry","2008","6","23","4299","4314","10.1039/b811137e","","","0.71073","MoKα","","0.0645","0.06","","","0.1625","0.1647","","","","","","1.141","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151013","12.94","0.003","12.042","0.002","11.54","0.002","90","","93.062","0.004","90","","1795.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O3 S -","- C18 H27 N O3 S -","- C72 H108 N4 O12 S4 -","4","1","","Coote, Susannah C.; O'Brien, Peter; Whitwood, Adrian C.","Stereoselective aziridination of cyclic allylic alcohols using chloramine-T","Organic & Biomolecular Chemistry","2008","6","23","4299","4314","10.1039/b811137e","","","0.71073","MoKα","","0.0576","0.044","","","0.116","0.1258","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151014","9.2925","0.0001","12.9908","0.0002","28.111","0.0004","90","","90","","90","","3393.48","0.08","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 N O4 -","- C36 H51 N O4 -","- C144 H204 N4 O16 -","4","1","","Tayama, Eiji; Orihara, Kiwako; Kimura, Hiroshi","New synthetic routes to optically active α-quaternary α-aryl amino acid derivatives via the diastereoselective Stevens and Sommelet‒Hauser rearrangements","Organic & Biomolecular Chemistry","2008","6","20","3673","3680","10.1039/b811162f","","","0.7107","MoKα","","","0.0572","","","","0.1235","","","","","","1.225","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151015","7.2351","0.0007","25.532","0.002","12.0626","0.0012","90","","104.539","0.002","90","","2156.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O8 -","- C23 H23 N O8 -","- C92 H92 N4 O32 -","4","1","","Clark, J. Stephen; Northall, John M.; Marlin, Frédéric; Nay, Bastien; Wilson, Claire; Blake, Alexander J.; Waring, Michael J.","Synthetic studies on the cornexistins: synthesis of (±)-5-epi-hydroxycornexistin","Organic & Biomolecular Chemistry","2008","6","21","4012","4025","10.1039/b811245b","","","0.71073","MoKα","","0.0525","0.0406","","","0.113","0.1205","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151016","10.3476","0.0007","12.7195","0.0009","11.1244","0.0008","90","","114.035","0.002","90","","1337.21","0.16","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Clark, J. Stephen; Northall, John M.; Marlin, Frédéric; Nay, Bastien; Wilson, Claire; Blake, Alexander J.; Waring, Michael J.","Synthetic studies on the cornexistins: synthesis of (±)-5-epi-hydroxycornexistin","Organic & Biomolecular Chemistry","2008","6","21","4012","4025","10.1039/b811245b","","","0.71073","MoKα","","0.0497","0.0435","","","0.118","0.122","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151017","8.1515","0.0008","10.0702","0.001","10.3368","0.001","71.999","0.002","80.438","0.002","71.163","0.002","761.69","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C44 H36 O6 -","2","1","","Moulton, Benjamin E.; Dong, Hao; O'Brien, Ciara T.; Duckett, Simon B.; Lin, Zhenyang; Fairlamb, Ian J. S.","A natural light induced regioselective 6π-electrocyclisation‒oxidative aromatisation reaction: experimental and theoretical insights","Organic & Biomolecular Chemistry","2008","6","24","4523","4532","10.1039/b811284c","","","0.71073","MoKα","","0.0624","0.0457","","","0.1169","0.1269","","","","","","1.031","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151018","8.0227","0.0003","8.8488","0.0004","31.8469","0.0013","90","","90","","90","","2260.85","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N O8 P -","- C22 H32 N O8 P -","- C88 H128 N4 O32 P4 -","4","1","","Liu, Xue-Wei; Le, Thanh Nguyen; Lu, Yunpeng; Xiao, Yongjun; Ma, Jimei; Li, Xingwei","An efficient synthesis of chiral phosphinyl oxide pyrrolidines and their application to asymmetric direct aldol reactions","Organic & Biomolecular Chemistry","2008","6","21","3997","4003","10.1039/b811581h","","","0.71073","MoKα","","0.0477","0.0442","","","0.1291","0.1384","","","","","","1.127","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151019","7.8768","0.0002","11.7807","0.0003","14.3679","0.0003","90","","94.8778","0.0011","90","","1328.43","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Chandan, Nandkishkor; Moloney, Mark G.","Rapid diastereocontrolled synthesis of 2,2,5-trisubstituted pyrrolidines","Organic & Biomolecular Chemistry","2008","6","20","3664","3666","10.1039/b811642c","","","0.71073","MoKα","","0.0715","0.0511","","0.1347","0.127","0.1347","","","","","","0.9993","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151020","6.9787","0.0002","14.2583","0.0004","9.8765","0.0003","90","","107.733","0.0014","90","","936.06","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Chandan, Nandkishkor; Moloney, Mark G.","Rapid diastereocontrolled synthesis of 2,2,5-trisubstituted pyrrolidines","Organic & Biomolecular Chemistry","2008","6","20","3664","3666","10.1039/b811642c","","","0.71073","MoKα","","0.0548","0.0389","","0.0935","0.0879","0.0935","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151021","6.5272","0.001","12.559","0.002","10.5571","0.0019","90","","93.26","0.006","90","","864","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C32 H44 N4 O12 -","4","1","","Chandan, Nandkishkor; Moloney, Mark G.","Rapid diastereocontrolled synthesis of 2,2,5-trisubstituted pyrrolidines","Organic & Biomolecular Chemistry","2008","6","20","3664","3666","10.1039/b811642c","","","0.71073","MoKα","","0.064","0.049","","0.1239","0.1133","0.1234","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151022","10.974","0.005","14.927","0.006","9.978","0.004","90","","95.267","0.006","90","","1627.6","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","","Ye, Shengqing; Ding, Qiuping; Wang, Zhiyong; Zhou, Haibo; Wu, Jie","Tandem addition-cyclization reactions of 2-alkynylbenzenamines with isocyanates catalyzed by PdCl2","Organic & Biomolecular Chemistry","2008","6","23","4406","4412","10.1039/B812015c","","","0.71073","MoKα","","0.083","0.0505","","","0.1155","0.1226","","","","","","0.805","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151023","13.123","0.0009","7.1019","0.0005","14.4491","0.001","90","","90.077","0.004","90","","1346.63","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","13-(2',3',4'-Tri-O-acetyl-β-L-rhamnopyranosyl)-5,12,13- triazaindeno[1,2-b]anthracene","","- C30 H27 N3 O7 -","- C30 H27 N3 O7 -","- C60 H54 N6 O14 -","2","1","","Driller, Katrin Marie; Libnow, Stefanie; Hein, Martin; Harms, Manuela; Wende, Kristian; Lalk, Michael; Michalik, Dirk; Reinke, Helmut; Langer, Peter","Synthesis of 6H-indolo[2,3-b]quinoxaline-N-glycosides and their cytotoxic activity against human ceratinocytes (HaCaT)","Organic & Biomolecular Chemistry","2008","6","22","4218","4223","10.1039/b812308j","","","0.71073","MoKα","","0.1021","0.0441","","","0.0808","0.0966","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151024","6.48","0.0001","10.5889","0.0002","41.9162","0.0009","90","","90","","90","","2876.12","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethyl-6-(2',3',4',6'-tetra-O-acetyl-β-D-manno- pyranosyl)indolo[2,3-b]quinoxaline","","- C30 H31 N3 O9 -","- C30 H31 N3 O9 -","- C120 H124 N12 O36 -","4","1","","Driller, Katrin Marie; Libnow, Stefanie; Hein, Martin; Harms, Manuela; Wende, Kristian; Lalk, Michael; Michalik, Dirk; Reinke, Helmut; Langer, Peter","Synthesis of 6H-indolo[2,3-b]quinoxaline-N-glycosides and their cytotoxic activity against human ceratinocytes (HaCaT)","Organic & Biomolecular Chemistry","2008","6","22","4218","4223","10.1039/b812308j","","","0.71073","MoKα","","0.0551","0.0484","","","0.1196","0.1243","","","","","","1.105","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151025","6.3601","0.0002","11.2214","0.0005","35.0578","0.0015","90","","90","","90","","2502.05","0.17","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(2',3',4'-Tri-O-acetyl-β-L-rhamnopyranosyl)indolo[2,3-b]quinoxaline","","- C26 H25 N3 O7 -","- C26 H25 N3 O7 -","- C104 H100 N12 O28 -","4","1","","Driller, Katrin Marie; Libnow, Stefanie; Hein, Martin; Harms, Manuela; Wende, Kristian; Lalk, Michael; Michalik, Dirk; Reinke, Helmut; Langer, Peter","Synthesis of 6H-indolo[2,3-b]quinoxaline-N-glycosides and their cytotoxic activity against human ceratinocytes (HaCaT)","Organic & Biomolecular Chemistry","2008","6","22","4218","4223","10.1039/b812308j","","","0.71073","MoKα","","0.051","0.0359","","","0.0832","0.0904","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151026","5.7683","0.0002","9.0468","0.0003","43.5087","0.0017","90","","90","","90","","2270.49","0.14","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O6 S -","- C24 H29 N O6 S -","- C96 H116 N4 O24 S4 -","4","1","","Paixão, Márcio W.; Nielsen, Martin; Jacobsen, Christian Borch; Jørgensen, Karl Anker","Organocatalytic asymmetric ring-opening of aziridines","Organic & Biomolecular Chemistry","2008","6","19","3467","3470","10.1039/B812369a","","x-ray","0.71073","MoKα","","0.0604","0.0514","","","0.1252","0.1296","","","","","","1.068","","","","has coordinates,has disorder","180296","2020-10-21","18:00:00",""
"7151027","6.589","0.003","7.55","0.003","9.691","0.004","97.609","0.006","103.781","0.006","106","0.006","439.8","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C24 H20 O4 -","2","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Kishor, Mamillapalli","Multi-catalysis reactions: direct organocatalytic sequential one-pot synthesis of highly functionalized cyclopenta[b]chromen-1-ones","Organic & Biomolecular Chemistry","2008","6","22","4188","4197","10.1039/b812551a","","","0.71073","MoKα","","0.0476","0.0399","","","0.1052","0.1102","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151028","12.869","0.002","7.4613","0.0014","23.807","0.004","90","","90","","90","","2285.9","0.7","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Kishor, Mamillapalli","Multi-catalysis reactions: direct organocatalytic sequential one-pot synthesis of highly functionalized cyclopenta[b]chromen-1-ones","Organic & Biomolecular Chemistry","2008","6","22","4188","4197","10.1039/b812551a","","","0.71073","MoKα","","0.0821","0.0639","","","0.141","0.1522","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151029","10.828","0.004","11.7","0.004","15.348","0.005","75.228","0.007","74.785","0.008","73.428","0.007","1763.9","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H40 Ge O2 -","- C45 H40 Ge O2 -","- C90 H80 Ge2 O4 -","2","1","","El Kettani, Sakina Ech-Cherif; Lazraq, Mohamed; Ouhsaine, Fatima; Gornitzka, Heinz; Ranaivonjatovo, Henri; Escudié, Jean","An unexpected epoxidation of benzil derivatives in their reaction with a germene","Organic & Biomolecular Chemistry","2008","6","21","4064","4066","10.1039/b812694c","","","0.71073","MoKα","","0.117","0.0558","","","0.093","0.1095","","","","","","0.903","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151030","7.042","0.003","18.432","0.002","15.5238","0.0013","90","","90","","90","","2015","0.9","193","2","193","2","","","","","","","","3","C 2 2 21","C 2c 2","20","Cyclopropane-1,2-dicarboxylic acid diethyl ester","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Riss, Patrick Johannes; Rösch, Frank","A convenient chemo-enzymatic synthesis and 18F-labelling of both enantiomers of trans-1-toluenesulfonyloxymethyl-2-fluoromethyl-cyclopropane","Organic & Biomolecular Chemistry","2008","6","24","4567","4574","10.1039/b812777h","","","1.54178","CuKα","","0.0665","0.0641","","","0.1708","0.1755","","","","","","1.048","","","","has coordinates,has disorder","180296","2020-10-21","18:00:00",""
"7151031","11.0147","0.0003","10.932","0.0003","14.7938","0.0004","90","","97.4949","0.0015","90","","1766.14","0.08","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H41 N O6 S -","- C37 H41 N O6 S -","- C74 H82 N2 O12 S2 -","2","1","","Shibata, Takanori; Otomo, Mayumi; Tahara, Yu-ki; Endo, Kohei","Highly diastereo- and enantioselective construction of both central and axial chiralities by Rh-catalyzed [2 + 2 + 2] cycloaddition","Organic & Biomolecular Chemistry","2008","6","23","4296","4298","10.1039/b814014f","","","1.54187","CuKα","","","0.0432","","","","0.1059","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151032","11.8532","0.0003","7.1565","0.0002","16.0428","0.0004","90","","102.421","0.001","90","","1329.02","0.06","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C52 H88 O16 -","4","1","","Butters, Michael; Beetstra, Dirk J.; Elliott, Mark C.; Hill-Cousins, Joseph; Kariuki, Benson M.","Directed epoxidation of cyclohexa-1,4-dienes‒stereoselective formation of up to six contiguous stereogenic centres","Organic & Biomolecular Chemistry","2008","6","23","4426","4434","10.1039/b814131m","","","0.71073","MoKα","","0.1026","0.0752","","","0.1923","0.213","","","","","","1.044","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151033","6.308","0.0002","13.542","0.0005","17.59","0.0007","73.293","0.002","81.756","0.002","79.108","0.002","1406.88","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H24 O4 -","- C14 H24 O4 -","- C56 H96 O16 -","4","2","","Butters, Michael; Beetstra, Dirk J.; Elliott, Mark C.; Hill-Cousins, Joseph; Kariuki, Benson M.","Directed epoxidation of cyclohexa-1,4-dienes‒stereoselective formation of up to six contiguous stereogenic centres","Organic & Biomolecular Chemistry","2008","6","23","4426","4434","10.1039/b814131m","","","0.71073","MoKα","","0.1888","0.1401","","","0.3427","0.3752","","","","","","1.26","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151034","8.8975","0.0005","12.1847","0.0007","24.8677","0.0013","90","","90","","90","","2696","0.3","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H18 O -","- C18 H18 O -","- C144 H144 O8 -","8","1","","Iqbal, Mazhar; Duffy, Patricia; Evans, Paul; Cloughley, George; Allan, Bernard; Lledó, Agustí; Verdaguer, Xavier; Riera, Antoni","The conjugate addition‒Peterson olefination reaction for the preparation of cross-conjugated cyclopentenone, PPAR-γ ligands","Organic & Biomolecular Chemistry","2008","6","24","4649","4661","10.1039/b814619e","","","0.71073","MoKα","","0.0535","0.0477","","","0.1286","0.1339","","","","","","1.031","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151035","6.008","0.0011","17.848","0.002","30.989","0.004","90","","90","","90","","3323","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 N O8 S -","- C36 H47 N O8 S -","- C144 H188 N4 O32 S4 -","4","1","","Chen, Qiao-Hong; Ganesh, Thota; Brodie, Peggy; Slebodnick, Carla; Jiang, Yi; Banerjee, Abhijit; Bane, Susan; Snyder, James P.; Kingston, David G. I.","Design, synthesis and biological evaluation of bridged epothilone D analogues","Organic & Biomolecular Chemistry","2008","6","24","4542","4552","10.1039/b814823f","","x-ray","1.54178","CuKα","","0.1304","0.0602","","","0.1229","0.1492","","","","","","0.804","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151036","34.899","0.007","9.3865","0.0019","7.5","0.0015","90","","90","","90","","2456.8","0.9","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 O2 -","- C27 H46 O2 -","- C108 H184 O8 -","4","1","","Martin, René; Däbritz, Frank; Entchev, Eugeni V.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Stereoselective synthesis of the hormonally active (25S)-Δ7-dafachronic acid, (25S)-Δ4-dafachronic acid, (25S)-dafachronic acid, and (25S)-cholestenoic acid","Organic & Biomolecular Chemistry","2008","6","23","4293","4295","10.1039/b815064h","","","0.71073","MoKα","","0.0706","0.0468","","","0.1065","0.1172","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151037","5.9247","0.0002","7.2417","0.0003","17.4475","0.0009","90","","90","","90","","748.58","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-2,5-dideoxy-2,5-imino-d-glucitol","","- C6 H13 N O4 -","- C6 H13 N O4 -","- C24 H52 N4 O16 -","4","1","","Donohoe, Timothy J.; Cheeseman, Matthew D.; O'Riordan, Timothy J. C.; Kershaw, Jessica A.","Synthesis of (+)-DGDP and (−)-7-epialexine","Organic & Biomolecular Chemistry","2008","6","21","3896","3898","10.1039/b815332a","","","0.71073","MoKα","","0.0548","0.0382","","0.0978","0.0911","0.0978","","","","","","0.9153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151038","7.2761","0.0003","19.4524","0.0008","36.24","0.001","90","","90","","90","","5129.3","0.3","100","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C34 H36 -","- C34 H36 -","- C272 H288 -","8","1","","Ter Wiel, Matthijs K. J.; Kwit, Marcin G.; Meetsma, Auke; Feringa, Ben L.","Synthesis, stereochemistry, and photochemical and thermal behaviour of bis-tert-butyl substituted overcrowded alkenes.","Organic & biomolecular chemistry","2007","5","1","87","96","10.1039/b611070c","","","0.71073","MoKα","","0.0675","0.0475","","","0.1124","0.123","","","","","","1.03","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151039","9.7582","0.0006","14.4454","0.0008","17.915","0.001","90","","90","","90","","2525.3","0.3","100","1","100","1","","","","","","","see text","2","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 -","- C34 H36 -","- C136 H144 -","4","1","","Ter Wiel, Matthijs K. J.; Kwit, Marcin G.; Meetsma, Auke; Feringa, Ben L.","Synthesis, stereochemistry, and photochemical and thermal behaviour of bis-tert-butyl substituted overcrowded alkenes.","Organic & biomolecular chemistry","2007","5","1","87","96","10.1039/b611070c","","","0.71073","MoKα","","0.0396","0.0341","","","0.0818","0.0838","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151040","25.345","0.017","6.038","0.004","12.627","0.01","90","","104.129","0.018","90","","1874","2","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(1R*,3S*,6R*)-methyl-2,2-dimethyl-5-oxo-4,7- dioxabicyclo(4.1.0) heptane-3-carboxylate","(1R*,3S*,6R*)-methyl-2,2-dimethyl-5-oxo-4,7-dioxabicyclo[4.1.0] heptane-3-carboxylate","","- C9 H12 O5 -","- C9 H12 O5 -","- C72 H96 O40 -","8","1","","Waller, David L.; Stephenson, Corey R. J.; Wipf, Peter","Spiroketals via oxidative rearrangement of enol ethers.","Organic & biomolecular chemistry","2007","5","1","58","60","10.1039/b612992g","","","0.71073","MoKα","","0.1859","0.1225","","","0.2742","0.3053","","","","","","1.132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151041","8.849","0.002","15.512","0.003","8.0902","0.0017","90","","101.154","0.019","90","","1089.5","0.4","208","2","208","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(1R*,3S*,5S*,6R*)-methyl-5-hydroxy-2,2,5-trimethyl-4,7- dioxabicyclo(4.1.0)heptane-3-carboxylate","(1R*,3S*,5S*,6R*)-methyl-5-hydroxy-2,2,5-trimethyl-4,7- dioxabicyclo[4.1.0]heptane-3-carboxylate","","- C10 H16 O5 -","- C10 H16 O5 -","- C40 H64 O20 -","4","1","","Waller, David L.; Stephenson, Corey R. J.; Wipf, Peter","Spiroketals via oxidative rearrangement of enol ethers.","Organic & biomolecular chemistry","2007","5","1","58","60","10.1039/b612992g","","","0.71073","MoKα","","0.0959","0.0567","","","0.1245","0.1445","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151042","11.581","0.0004","14.4762","0.0005","17.7027","0.0007","90","","90","","90","","2967.84","0.19","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N7 O6 -","- C31 H33 N7 O6 -","- C124 H132 N28 O24 -","4","1","","Tan, T. H. Samuel; Worthington, Roberta J.; Pritchard, Robin G.; Morral, Jordi; Micklefield, Jason","Homopolymeric pyrrolidine-amide oligonucleotide mimics: Fmoc-synthesis and DNA/RNA binding properties.","Organic & biomolecular chemistry","2007","5","2","239","248","10.1039/b613384n","","x-ray","0.71073","MoKα","","0.0891","0.045","","","0.0771","0.0903","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151043","5.1589","0.0002","10.5387","0.0005","7.4162","0.0004","90","","93.901","0.003","90","","402.27","0.03","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C5 H11 Cl N4 O -","- C5 H11 Cl N4 O -","- C10 H22 Cl2 N8 O2 -","2","1","","Tan, T. H. Samuel; Worthington, Roberta J.; Pritchard, Robin G.; Morral, Jordi; Micklefield, Jason","Homopolymeric pyrrolidine-amide oligonucleotide mimics: Fmoc-synthesis and DNA/RNA binding properties.","Organic & biomolecular chemistry","2007","5","2","239","248","10.1039/b613384n","","x-ray","0.71073","MoKα","","0.0502","0.0372","","","0.0657","0.0692","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151044","7.7564","0.0009","13.3948","0.0009","25.589","0.003","90","","90","","90","","2658.6","0.5","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 N7 O6 -","- C24 H35 N7 O6 -","- C96 H140 N28 O24 -","4","1","","Worthington, Roberta J.; O'Rourke, Adam P; Morral, Jordi; Tan, T. H. Samuel; Micklefield, Jason","Mixed-sequence pyrrolidine-amide oligonucleotide mimics: Boc(Z) synthesis and DNA/RNA binding properties.","Organic & biomolecular chemistry","2007","5","2","249","259","10.1039/b613386j","","x-ray","0.71073","MoKα","","0.2379","0.0956","","","0.2102","0.3014","","","","","","1.02","","","","has coordinates,has disorder","180296","2020-10-21","18:00:00",""
"7151045","4.9735","0.0007","10.531","0.002","17.521","0.003","90","","90","","90","","917.7","0.3","100","1","100","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Cl O -","- C10 H11 Cl O -","- C40 H44 Cl4 O4 -","4","1","","Haak, Robert M.; Tarabiono, Chiara; Janssen, Dick B.; Minnaard, Adriaan J.; de Vries, Johannes G.; Feringa, Ben L.","Synthesis of enantiopure chloroalcohols by enzymatic kinetic resolution.","Organic & biomolecular chemistry","2007","5","2","318","323","10.1039/b613937j","","","0.71073","MoKα","","0.0337","0.0311","","","0.0687","0.0698","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151046","4.6405","0.0007","25.329","0.004","12.191","0.0017","90","","97.047","0.002","90","","1422.1","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C64 H56 N8 O4 S4 -","4","1","","Bowman, W. Russell; Elsegood, Mark R. J.; Stein, Tobias; Weaver, George W.","Radical reactions with 3H-quinazolin-4-ones: synthesis of deoxyvasicinone, mackinazolinone, luotonin A, rutaecarpine and tryptanthrin.","Organic & biomolecular chemistry","2007","5","1","103","113","10.1039/b614075k","","","0.71073","MoKα","","0.0837","0.0602","","","0.1444","0.159","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151047","6.6511","0.0003","8.6274","0.0003","14.5395","0.0007","90.123","0.002","94.525","0.003","99.594","0.003","819.97","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 Cl3 N2 O3 -","- C17 H11 Cl3 N2 O3 -","- C34 H22 Cl6 N4 O6 -","2","1","","Bowman, W. Russell; Elsegood, Mark R. J.; Stein, Tobias; Weaver, George W.","Radical reactions with 3H-quinazolin-4-ones: synthesis of deoxyvasicinone, mackinazolinone, luotonin A, rutaecarpine and tryptanthrin.","Organic & biomolecular chemistry","2007","5","1","103","113","10.1039/b614075k","","","0.71073","MoKα","","0.055","0.0353","","","0.0851","0.0939","","","","","","1.028","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151048","22.77","0.003","7.5283","0.0011","19.57","0.003","90","","111.923","0.012","90","","3112.1","0.8","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 Cl3 Fe2 N2 -","- C37 H25 Cl3 Fe2 N2 -","- C148 H100 Cl12 Fe8 N8 -","4","1","","Schmittel, Michael; Kishore, Ravuri S. K.; Bats, Jan W.","Synthesis of supramolecular fullerene-porphyrin-Cu(phen)(2)-ferrocene architectures. A heteroleptic approach towards tetrads.","Organic & biomolecular chemistry","2007","5","1","78","86","10.1039/b614111k","","","0.71073","MoKα","","0.0947","0.0517","","","0.1221","0.1434","","","","","","1.024","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151049","8.6316","0.0002","14.8772","0.0003","14.4589","0.0003","90","","95.3308","0.0011","90","","1848.7","0.07","93.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl2 N O5 -","- C21 H15 Cl2 N O5 -","- C84 H60 Cl8 N4 O20 -","4","1","","Ando, Kumiko; Akai, Yukiko; Kunitomo, Jun-Ichi; Yokomizo, Takehiko; Nakajima, Hidemitsu; Takeuchi, Tadayoshi; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka","Synthesis and biological activities of novel furo[2,3,4-jk][2]benzazepin-4(3H)-one derivatives.","Organic & biomolecular chemistry","2007","5","4","655","663","10.1039/b614510h","","","1.54187","CuKα","","","0.058","","","","0.1675","","","","","","0.977","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151050","9.576","0.002","20.504","0.005","10.143","0.003","90","","112.421","0.011","90","","1841","0.8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,5R,6S)-N-(2',3',4'-Tri-O-pivaloyl-a-d-arabinopyranosyl)-5,6-diallyl- 2-isopropyl-piperidin-4-one","","- C34 H55 N O8 -","- C34 H55 N O8 -","- C68 H110 N2 O16 -","2","1","","Kranke, Birgit; Kunz, Horst","Stereoselective syntheses of piperidinones and their modification by organometallic coupling reactions.","Organic & biomolecular chemistry","2007","5","2","349","354","10.1039/b615113b","","","1.54178","CuKα","","0.0604","0.0562","","","0.1633","0.1696","","","","","","1.029","","","","has coordinates,has disorder","180296","2020-10-21","18:00:00",""
"7151051","8.8832","0.0012","10.3813","0.0015","12.0879","0.0017","81.631","0.002","81.67","0.002","78.225","0.002","1072","0.3","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C48 H66 N2 O8 -","2","1","","McErlean, Christopher S. P.; Proisy, Nicolas; Davis, Christopher J.; Boland, Nicola A.; Sharp, Swee Y.; Boxall, Kathy; Slawin, Alexandra M. Z.; Workman, Paul; Moody, Christopher J.","Synthetic ansamycins prepared by a ring-expanding Claisen rearrangement. Synthesis and biological evaluation of ring and conformational analogues of the Hsp90 molecular chaperone inhibitor geldanamycin.","Organic & biomolecular chemistry","2007","5","3","531","546","10.1039/b615378j","","","0.71073","MoKα","","0.0834","0.0681","","","0.1683","0.1813","","","","","","1.032","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151052","8.4729","0.0001","8.9346","0.0001","15.8498","0.0003","88.5376","0.0006","80.8585","0.0006","83.8057","0.0006","1177.66","0.03","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H33 N3 Si -","- C24 H33 N3 Si -","- C48 H66 N6 Si2 -","2","1","","Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg","Structural and theoretical investigation of 2-iminoimidazolines‒carbene analogues of iminophosphoranes.","Organic & biomolecular chemistry","2007","5","3","523","530","10.1039/b615418b","","","0.71073","MoKα","","0.0426","0.0374","","","0.1003","0.1039","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151053","9.617","0.0008","12.462","0.001","25.214","0.002","88.322","0.002","84.261","0.002","79.785","0.002","2958.8","0.4","133","","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H45 N3 Si -","- C30 H45 N3 Si -","- C120 H180 N12 Si4 -","4","2","","Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg","Structural and theoretical investigation of 2-iminoimidazolines‒carbene analogues of iminophosphoranes.","Organic & biomolecular chemistry","2007","5","3","523","530","10.1039/b615418b","","","0.71073","MoKα","","0.1118","0.0552","","","0.1109","0.1269","","","","","","0.895","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151054","9.8042","0.0001","11.0624","0.0002","11.6724","0.0002","90","","112.329","0.0007","90","","1171.04","0.03","173","","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 N3 -","- C11 H21 N3 -","- C44 H84 N12 -","4","1","","Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg","Structural and theoretical investigation of 2-iminoimidazolines‒carbene analogues of iminophosphoranes.","Organic & biomolecular chemistry","2007","5","3","523","530","10.1039/b615418b","","","0.71073","MoKα","","0.0462","0.0378","","","0.0936","0.0981","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151055","7.5606","0.0002","16.9628","0.0004","9.1745","0.0002","90","","92.2557","0.0008","90","","1175.71","0.05","173","","123","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H21 N3 -","- C11 H21 N3 -","- C44 H84 N12 -","4","1","","Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg","Structural and theoretical investigation of 2-iminoimidazolines‒carbene analogues of iminophosphoranes.","Organic & biomolecular chemistry","2007","5","3","523","530","10.1039/b615418b","","","0.71073","MoKα","","0.0326","0.0296","","","0.0657","0.0673","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151056","10.3194","0.0011","8.4799","0.0009","12.1497","0.0013","90","","106.293","0.002","90","","1020.49","0.19","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N3 -","- C9 H17 N3 -","- C36 H68 N12 -","4","1","","Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg","Structural and theoretical investigation of 2-iminoimidazolines‒carbene analogues of iminophosphoranes.","Organic & biomolecular chemistry","2007","5","3","523","530","10.1039/b615418b","","","0.71073","MoKα","","0.0693","0.0496","","","0.1191","0.1279","","","","","","1.028","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151057","11.259","0.002","9.8467","0.0018","18.752","0.003","90","","103.035","0.006","90","","2025.4","0.6","133","","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 N3 Si2 -","- C15 H33 N3 Si2 -","- C60 H132 N12 Si8 -","4","1","","Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg","Structural and theoretical investigation of 2-iminoimidazolines‒carbene analogues of iminophosphoranes.","Organic & biomolecular chemistry","2007","5","3","523","530","10.1039/b615418b","","","0.71073","MoKα","","0.0807","0.0633","","","0.1509","0.1581","","","","","","1.127","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151058","14.995","0.002","15.949","0.002","17.6433","0.0004","68.348","0.01","71.33","0.01","88.86","0.01","3692.2","0.8","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C69 H100 N22 O6 -","- C69 H100 N22 O6 -","- C138 H200 N44 O12 -","2","1","","Kondo, Shin-Ichi; Hayashi, Tomohiro; Sakuno, Yuichi; Takezawa, Yoko; Yokoyama, Takashi; Unno, Masafumi; Yano, Yumihiko","Synthesis of cyclic bis- and trismelamine derivatives and their complexation properties with barbiturates.","Organic & biomolecular chemistry","2007","5","6","907","916","10.1039/b615537e","","","0.7107","MoKα","","0.1391","0.0836","","","0.2003","0.2368","","","","","","0.83","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151059","8.578","0.0009","9.477","0.0009","9.818","0.001","88.558","0.004","89.264","0.004","73.154","0.004","763.64","0.13","273.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Takagi, Ryukichi; Miwa, Yukiko; Nerio, Takashi; Inoue, Yuta; Matsumura, Shuji; Ohkata, Katsuo","Stereochemical investigation on the construction of poly-functionalized bicyclo[3.3.1]nonenones by successive Michael reactions of 2-cyclohexenones.","Organic & biomolecular chemistry","2007","5","2","286","300","10.1039/b615702e","","","0.7107","MoKα","","","0.1188","","","","0.4316","","","","","","1.936","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151060","12.301","0.0004","11.053","0.0003","13.202","0.0004","90","","112.715","0.001","90","","1655.76","0.09","273.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Takagi, Ryukichi; Miwa, Yukiko; Nerio, Takashi; Inoue, Yuta; Matsumura, Shuji; Ohkata, Katsuo","Stereochemical investigation on the construction of poly-functionalized bicyclo[3.3.1]nonenones by successive Michael reactions of 2-cyclohexenones.","Organic & biomolecular chemistry","2007","5","2","286","300","10.1039/b615702e","","","0.7107","MoKα","","","0.0741","","","","0.2924","","","","","","1.465","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151061","9.893","0.0003","11.174","0.0002","19.187","0.0007","85.225","0.001","77.416","0.001","68.107","0.001","1920.77","0.1","273.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 O6 -","- C19 H28 O6 -","- C76 H112 O24 -","4","2","","Takagi, Ryukichi; Miwa, Yukiko; Nerio, Takashi; Inoue, Yuta; Matsumura, Shuji; Ohkata, Katsuo","Stereochemical investigation on the construction of poly-functionalized bicyclo[3.3.1]nonenones by successive Michael reactions of 2-cyclohexenones.","Organic & biomolecular chemistry","2007","5","2","286","300","10.1039/b615702e","","","0.7107","MoKα","","","0.1225","","","","0.4492","","","","","","2.132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151062","18.967","0.003","12.7861","0.0018","19.491","0.003","90","","96.878","0.002","90","","4692.8","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","05263","","","- C22 H35 N O4 Si -","- C22 H35 N O4 Si -","- C176 H280 N8 O32 Si8 -","8","2","","Ko, Changhong; Hsung, Richard P.","An unusual stereoselectivity in the anomeric substitution with carbamates promoted by HNTf2.","Organic & biomolecular chemistry","2007","5","3","431","434","10.1039/b615725d","","","0.71073","MoKα","","0.1338","0.0697","","","0.1745","0.2237","","","","","","1.022","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151063","19.5903","0.0005","16.057","0.0002","6.075","0.0002","90","","90","","90","","1910.96","0.08","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","t-Butyl [3-hydroxy-3-(p-tolyl)-1-phenylpropyl)carbamate","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Tillman, A. Louise; Dixon, Darren J.","An enantioselective Brønsted acid catalyzed enamine Mannich reaction.","Organic & biomolecular chemistry","2007","5","4","606","609","10.1039/b616143j","","","0.71073","MoKα","","0.0489","0.0424","","","0.1099","0.1149","","","","","","1.185","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151064","5.148","0.0001","15.808","0.0003","21.3073","0.0005","90","","90","","90","","1733.98","0.06","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O2 -","- C20 H20 Cl N O2 -","- C80 H80 Cl4 N4 O8 -","4","1","","Chen, Wei; Du, Wei; Yue, Lei; Li, Rui; Wu, Yong; Ding, Li-Sheng; Chen, Ying-Chun","Organocatalytic enantioselective indole alkylations of alpha,beta-unsaturated ketones.","Organic & biomolecular chemistry","2007","5","5","816","821","10.1039/b616504d","","","0.71073","MoKα","","0.0302","0.0296","","","0.0778","0.0782","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151065","8.8615","0.0012","24.322","0.003","11.2807","0.0016","90","","111.633","0.002","90","","2260.1","0.5","87","2","87","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","(R2PdCl2)(NTf)2","","","- C30 H36 Cl2 F12 N8 O8 Pd S4 -","- C30 H36 Cl2 F12 N8 O8 Pd S4 -","- C60 H72 Cl4 F24 N16 O16 Pd2 S8 -","2","0.5","","Ruihu Wang; Ji-Chang Xiao; Brendan Twamley; Jean'ne M. Shreeve","Efficient Heck reactions catalyzed by a highly recyclable palladium(II) complex of a pyridyl-functionalized imidazolium-based ionic liquid.","Organic & biomolecular chemistry","2007","5","4","671","678","10.1039/b616529j","","","0.71073","MoKα","","0.0412","0.0382","","","0.0849","0.0864","","","","","","1.081","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151066","8.2761","0.0017","10.042","0.002","15.189","0.003","74.44","0.03","81.7","0.03","82.47","0.03","1197.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","2","","Cox, Russell J.; Evitt, Andrew S.","Acyl palladium species in synthesis: single-step synthesis of alpha,beta-unsaturated ketones from acid chlorides.","Organic & biomolecular chemistry","2007","5","2","229","232","10.1039/b616582f","","","0.71073","MoKα","","0.1605","0.1222","","","0.2105","0.2285","","","","","","1.482","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151067","7.6506","0.0008","18.5206","0.0018","8.4687","0.0008","90","","110.451","0.005","90","","1124.3","0.2","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Methyl-2-dimethylamino-4-methylcarbonyl- 1-thia-6-oxa-6aλ4-seleno-3-azapentalene","","- C9 H12 N2 O2 S Se -","- C9 H12 N2 O2 S Se -","- C36 H48 N8 O8 S4 Se4 -","4","1","","Koketsu, Mamoru; Otsuka, Toshihiro; Swenson, Dale; Ishihara, Hideharu","The synthesis of 1-thia-6-oxa-6alambda(4)-seleno-3-azapentalene and a 3H-1,2,4-dithiazole.","Organic & biomolecular chemistry","2007","5","4","613","616","10.1039/b617097h","","","0.71073","MoKα","","0.0267","0.0224","","","0.056","0.0582","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151068","7.6627","0.0008","18.4638","0.0018","8.3775","0.0008","90","","110.288","0.005","90","","1111.74","0.19","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Diacetylmethylidene-5-dimethylamino-3H-1,2,4-dithiazole","","- C9 H12 N2 O2 S2 -","- C9 H12 N2 O2 S2 -","- C36 H48 N8 O8 S8 -","4","1","","Koketsu, Mamoru; Otsuka, Toshihiro; Swenson, Dale; Ishihara, Hideharu","The synthesis of 1-thia-6-oxa-6alambda(4)-seleno-3-azapentalene and a 3H-1,2,4-dithiazole.","Organic & biomolecular chemistry","2007","5","4","613","616","10.1039/b617097h","","","0.71069","MoKα","","0.0412","0.032","","","0.0802","0.0845","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151069","10.1624","0.001","7.4766","0.0007","14.124","0.0014","90","","111.027","0.005","90","","1001.69","0.17","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Thiocarbamate thioanhydride","","","- C6 H12 N2 S1.97 Se1.03 -","- C6 H12 N2 S1.971 Se1.029 -","- C24 H48 N8 S7.884 Se4.116 -","4","1","","Koketsu, Mamoru; Otsuka, Toshihiro; Swenson, Dale; Ishihara, Hideharu","The synthesis of 1-thia-6-oxa-6alambda(4)-seleno-3-azapentalene and a 3H-1,2,4-dithiazole.","Organic & biomolecular chemistry","2007","5","4","613","616","10.1039/b617097h","","","0.71073","MoKα","","0.0277","0.0236","","","0.0475","0.0486","","","","","","1.143","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151070","18.383","0.002","9.9133","0.0012","23.371","0.003","90","","106.34","0.02","90","","4087","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21.75 H18.5 N3 O4.25 -","- C21.75 H18.5 N3 O4.25 -","- C174 H148 N24 O34 -","8","1","","Tu, Shujiang; Zhang, Junyong; Jia, Runhong; Jiang, Bo; Zhang, Yan; Jiang, Hong","An efficient route for the synthesis of a new class of pyrido[2,3-d]pyrimidine derivatives.","Organic & biomolecular chemistry","2007","5","9","1450","1453","10.1039/b617201f","","","0.71073","MoKα","","0.1575","0.0641","","","0.1565","0.2072","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151071","10.024","0.0017","10.7729","0.0018","11.1615","0.0019","81.47","0.002","89.328","0.002","69.72","0.002","1117.1","0.3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H27 N -","- C30 H27 N -","- C60 H54 N2 -","2","1","","Yan, Chao-Guo; Cai, Xi-Mei; Wang, Qi-Fang; Wang, Ting-Yu; Zheng, Ming","Microwave-assisted four-component, one-pot condensation reaction: an efficient synthesis of annulated pyridines.","Organic & biomolecular chemistry","2007","5","6","945","951","10.1039/b617256c","","","0.71073","MoKα","","0.0761","0.0487","","","0.1207","0.1358","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151072","10.7313","0.0014","10.8332","0.0014","17.189","0.002","91.122","0.002","101.774","0.002","99.739","0.002","1925","0.4","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H42 N2 -","- C52 H42 N2 -","- C104 H84 N4 -","2","1","","Yan, Chao-Guo; Cai, Xi-Mei; Wang, Qi-Fang; Wang, Ting-Yu; Zheng, Ming","Microwave-assisted four-component, one-pot condensation reaction: an efficient synthesis of annulated pyridines.","Organic & biomolecular chemistry","2007","5","6","945","951","10.1039/b617256c","","","0.71073","MoKα","","0.111","0.0619","","","0.1548","0.1796","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151073","4.6327","0.0011","24.041","0.006","12.808","0.003","90","","91.977","0.005","90","","1425.6","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F2 N O2 -","- C16 H15 F2 N O2 -","- C64 H60 F8 N4 O8 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.1162","0.0527","","","0.1144","0.1373","","","","","","0.807","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151074","8.9925","0.0009","16.8092","0.0018","18.0165","0.0019","75.543","0.002","89.972","0.002","83.735","0.002","2620.3","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 F2 N O -","- C15 H13 F2 N O -","- C120 H104 F16 N8 O8 -","8","4","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.1375","0.0535","","","0.1086","0.1374","","","","","","0.851","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151075","19.88","0.003","9.8369","0.0016","15.11","0.002","90","","90","","90","","2954.9","0.8","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H18 F2 N2 O -","- C17 H18 F2 N2 O -","- C136 H144 F16 N16 O8 -","8","2","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.1157","0.0547","","","0.1219","0.1632","","","","","","0.916","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151076","4.6438","0.0013","13.421","0.004","23.018","0.007","90","","92.683","0.006","90","","1433","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F2 N2 O3 -","- C15 H12 F2 N2 O3 -","- C60 H48 F8 N8 O12 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.0598","0.0407","","","0.1011","0.1108","","","","","","0.981","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151077","4.7498","0.001","10.856","0.002","26.289","0.006","90","","92.256","0.004","90","","1354.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F5 N O -","- C15 H10 F5 N O -","- C60 H40 F20 N4 O4 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.0861","0.0435","","","0.1098","0.1338","","","","","","0.889","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151078","12.822","0.004","11.499","0.003","9.804","0.002","90","","103.84","0.02","90","","1403.5","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H10 F5 N O -","- C15 H10 F5 N O -","- C60 H40 F20 N4 O4 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.0633","0.0474","","","0.1119","0.1284","","","","","","0.908","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151079","4.7538","0.0019","10.885","0.007","30.402","0.012","90","","91.1","0.04","90","","1572.9","1.3","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F5 N2 O -","- C17 H15 F5 N2 O -","- C68 H60 F20 N8 O4 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.3101","0.0588","","","0.1071","0.1584","","","","","","0.69","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151080","4.6658","0.0008","13.056","0.002","13.473","0.002","63.577","0.003","85.102","0.003","84.119","0.003","730.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 F5 N2 O3 -","- C15 H9 F5 N2 O3 -","- C30 H18 F10 N4 O6 -","2","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.0631","0.0429","","","0.1124","0.1266","","","","","","0.888","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151081","4.7637","0.0011","10.695","0.003","14.616","0.004","90","","96.579","0.005","90","","739.7","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 F5 N O2 -","- C16 H12 F5 N O2 -","- C32 H24 F10 N2 O4 -","2","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.0723","0.0463","","","0.1058","0.1181","","","","","","0.917","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151082","9.181","0.009","19.2","0.02","19.68","0.02","90","","90","","90","","3469","6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C152 H192 N16 O8 -","8","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.1752","0.0727","","","0.1497","0.1921","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151083","22.145","0.003","4.8085","0.0006","14.617","0.0018","90","","95.725","0.003","90","","1548.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.2274","0.059","","","0.1152","0.191","","","","","","0.794","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151084","15.067","0.0017","12.8503","0.0014","15.5065","0.0017","90","","105.241","0.002","90","","2896.7","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.0759","0.0507","","","0.1335","0.1419","","","","","","1.102","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151085","4.634","0.003","12.208","0.006","29.098","0.016","90","","92.433","0.011","90","","1644.6","1.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O5 -","- C17 H17 N3 O5 -","- C68 H68 N12 O20 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.3382","0.0754","","","0.1585","0.2433","","","","","","0.766","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151086","16.939","0.003","12.274","0.002","8.5993","0.0015","90","","90","","90","","1787.9","0.5","423","2","423","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C92 H72 N8 O12 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.0906","0.0579","","","0.1256","0.1411","","","","","","0.816","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151087","11.1542","0.001","8.497","0.0007","31.528","0.003","90","","95.122","0.002","90","","2976.2","0.5","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H12 F5 N O -","- C16 H12 F5 N O -","- C128 H96 F40 N8 O8 -","8","4","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.0919","0.0502","","","0.1172","0.1371","","","","","","1.023","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151088","15.436","0.008","11.833","0.006","16.617","0.009","90","","111.728","0.009","90","","2820","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cl2 N2 O4 -","- C28 H34 Cl2 N2 O4 -","- C112 H136 Cl8 N8 O16 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.2092","0.095","","","0.2357","0.2908","","","","","","0.866","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151089","7.123","0.003","16.792","0.008","13.785","0.007","90","","102.881","0.009","90","","1607.3","1.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.3108","0.0758","","","0.1534","0.2135","","","","","","0.74","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151090","7.984","0.008","16.218","0.014","8.171","0.008","90","","112.95","0.15","90","","974.3","1.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.2053","0.093","","","0.2273","0.3073","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151091","7.403","0.014","13.41","0.03","18.84","0.03","76.34","0.14","80.3","0.2","88.66","0.16","1791","6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","2","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.2151","0.0686","","","0.1436","0.2235","","","","","","0.809","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151092","11.261","0.004","9.225","0.004","32.382","0.011","90","","95.503","0.011","90","","3348","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F4 N2 O2 -","- C20 H12 F4 N2 O2 -","- C160 H96 F32 N16 O16 -","8","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71069","MoKα","","0.0668","0.0461","","","0.1057","0.1202","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151093","25.403","0.009","17.845","0.004","17.218","0.004","90","","132.09","0.02","90","","5792","3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H16 Cl6 N2 O6 -","- C83 H36 Cl6 N2 O6 -","- C332 H144 Cl24 N8 O24 -","4","0.5","","Gubskaya, Valentina P.; Berezhnaya, Lucia Sh; Gubaidullin, Aidar T.; Faingold, Irina I.; Kotelnikova, Raisa A.; Konovalova, Nina P.; Morozov, Vladimir I.; Litvinov, Igor A.; Nuretdinov, Ildus A.","Synthesis, structure and biological activity of nitroxide malonate methanofullerenes.","Organic & biomolecular chemistry","2007","5","6","976","981","10.1039/b617892h","","","1.54184","CuKα","","0.4209","0.0579","","","0.1031","0.1923","","","","","","0.829","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151094","8.1168","0.0011","18.618","0.005","10.168","0.002","90","","90","","90","","1536.6","0.6","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H19 N O S -","- C17 H19 N O S -","- C68 H76 N4 O4 S4 -","4","1","","Murphy, Maureen; Lynch, Denis; Schaeffer, Marcel; Kissane, Marie; Chopra, Jay; O'brien, Elisabeth; Ford, Alan; Ferguson, George; Maguire, Anita R.","Investigation of the synthetic and mechanistic aspects of the highly stereoselective transformation of alpha-thioamides to alpha-thio-beta-chloroacrylamides.","Organic & biomolecular chemistry","2007","5","8","1228","1241","10.1039/b618540a","","","0.71073","MolybdenumKα","","0.1086","0.0827","","","0.2049","0.2278","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151095","12.949","0.003","13.3462","0.0013","18.932","0.004","90","","103.939","0.023","90","","3175.5","1.1","294","","294","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H19 N O S -","- C17 H19 N O S -","- C136 H152 N8 O8 S8 -","8","2","","Murphy, Maureen; Lynch, Denis; Schaeffer, Marcel; Kissane, Marie; Chopra, Jay; O'brien, Elisabeth; Ford, Alan; Ferguson, George; Maguire, Anita R.","Investigation of the synthetic and mechanistic aspects of the highly stereoselective transformation of alpha-thioamides to alpha-thio-beta-chloroacrylamides.","Organic & biomolecular chemistry","2007","5","8","1228","1241","10.1039/b618540a","","","0.71073","MolybdenumKα","","0.1202","0.0399","","","0.0731","0.0891","","","","","","1.004","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151096","5.7926","0.0003","10.0685","0.0006","12.2947","0.0007","65.873","0.001","76.452","0.001","85.507","0.001","636.09","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 N6 O -","- C13 H16 N6 O -","- C26 H32 N12 O2 -","2","1","","Huang, Weiqiang; Miller, Marvin J.; De Clercq, Erik; Balzarini, Jan","Syntheses and anti-HIV activities of (+/-)-norcarbovir and (+/-)-norabacavir.","Organic & biomolecular chemistry","2007","5","8","1164","1166","10.1039/b700321h","","","0.71073","MoKα","","0.056","0.0529","","","0.1457","0.1491","","","","","","1.058","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151097","8.4065","0.0012","9.6892","0.0014","26.482","0.004","90","","90","","90","","2157","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C104 H116 N4 O8 -","4","1","","McGhee, Andrea M.; Kizirian, Jean-Claude; Procter, David J.","Synthesis and evaluation of a new polymer-supported pseudoephedrine auxiliary for asymmetric alkylations on solid phase.","Organic & biomolecular chemistry","2007","5","7","1021","1024","10.1039/b700477j","","","0.71073","MoKα","","0.0487","0.0456","","","0.1124","0.1144","","","","","","1.177","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151098","8.0161","0.0009","10.6336","0.0013","18.746","0.002","90","","93.498","0.002","90","","1594.9","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O3 Se -","- C18 H19 N O3 Se -","- C72 H76 N4 O12 Se4 -","4","1","","Aumann, Kylee M.; Scammells, Peter J.; White, Jonathan M.; Schiesser, Carl H.","On the stability of 2-aminoselenophene-3-carboxylates: potential dual-acting selenium-containing allosteric enhancers of A1 adenosine receptor binding.","Organic & biomolecular chemistry","2007","5","8","1276","1281","10.1039/B700812K","","","0.71073","MoKα","","0.0357","0.0304","","","0.0803","0.0831","","","","","","1.057","","","","has coordinates,has disorder","180296","2020-10-21","18:00:00",""
"7151099","9.6394","0.001","10.0481","0.0011","10.1555","0.0011","93.933","0.002","101.874","0.002","117.258","0.002","840.58","0.16","123","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O5 Se -","- C18 H18 N2 O5 Se -","- C36 H36 N4 O10 Se2 -","2","1","","Aumann, Kylee M.; Scammells, Peter J.; White, Jonathan M.; Schiesser, Carl H.","On the stability of 2-aminoselenophene-3-carboxylates: potential dual-acting selenium-containing allosteric enhancers of A1 adenosine receptor binding.","Organic & biomolecular chemistry","2007","5","8","1276","1281","10.1039/B700812K","","","0.71073","MoKα","","0.0387","0.034","","","0.0865","0.0897","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151100","11.264","0.0002","16.634","0.0003","17.048","0.0002","90","","90","","90","","3194.2","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H43 N O4 -","- C38 H43 N O4 -","- C152 H172 N4 O16 -","4","1","","Davies, Stephen G.; Roberts, Paul M.; Smith, Andrew D.","Asymmetric three- and [2 + 1]-component conjugate addition reactions for the stereoselective synthesis of polysubstituted piperidinones.","Organic & biomolecular chemistry","2007","5","9","1405","1415","10.1039/b701226h","","","0.71069","MoKα","","","0.0253","","","","0.031","","","","","","0.9146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151101","9.416","0.002","13.56","0.003","15.727","0.003","90","","90","","90","","2008","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dimethyl 2-(N-benzyl-N'-isopropylimidazolin-2-ylidene)-3- thioxobutanedioate","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C76 H88 N8 O16 S4 -","4","1","","Zhu, Qing; Liu, Mei-Fang; Wang, Bo; Cheng, Ying","An unprecedented tandem 1,3-dipolar cycloaddition-cheletropic elimination: a facial approach to novel push-pull olefins.","Organic & biomolecular chemistry","2007","5","8","1282","1286","10.1039/b701326d","","","0.71073","MoKα","","0.0586","0.0358","","","0.078","0.0875","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151102","23.3843","0.0006","23.3843","0.0006","8.2561","0.0002","90","","90","","90","","4514.6","0.2","173","2","173","2","","","","","","","","4","I 4","I 4","79","","","","- C94.69 H126.1 N8.65 O13.38 -","- C94.69 H126.106 N8.655 O13.38 -","- C189.38 H252.211 N17.31 O26.76 -","2","0.25","","Szumna, Agnieszka","Cyclochiral conformers of resorcin[4]arenes stabilized by hydrogen bonds.","Organic & biomolecular chemistry","2007","5","9","1358","1368","10.1039/b701451a","","","0.71073","MoKα","","0.125","0.0468","","","0.1182","0.1313","","","","","","0.776","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151103","10.052","0.002","15.052","0.003","42.205","0.008","90","","90","","90","","6386","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C324 H252 N36 O24 -","12","3","","Bouet, Alexis; Deguest, Geoffrey; Heller, Barbara; Papamicaël, Cyril; Dupas, Georges; Oudeyer, Sylvain; Marsais, Francis; Levacher, Vincent","Preparation of new axially chiral bridged 2,2'-bipyridines and pyridyl monooxazolines (pymox). Evaluation in copper(I)-catalyzed enantioselective cyclopropanation.","Organic & biomolecular chemistry","2007","5","9","1397","1404","10.1039/b701549f","","","0.71073","MoKα","","0.0859","0.0684","","","0.182","0.1931","","","","","","1.023","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151104","16.463","0.009","18.19","0.011","13.501","0.01","90","","111.93","0.04","90","","3750","4","198.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 Br F5 P2 -","- C43 H32 Br F5 P2 -","- C172 H128 Br4 F20 P8 -","4","1","","Yamada, Shigeyuki; Ishii, Emi; Konno, Tsutomu; Ishihara, Takashi","Reaction of perfluorocyclopentene with various carbon nucleophiles‒heteroaromatic lithium reagents, enolate and phosphonium ylide.","Organic & biomolecular chemistry","2007","5","9","1442","1449","10.1039/b701702b","","","1.54178","CuKα","","","0.0789","","","","0.2354","","","","","","1.011","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151105","17.266","0.007","17.317","0.007","13.791","0.004","90","","90","","90","","4123","3","198.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F5 O P -","- C24 H16 F5 O P -","- C192 H128 F40 O8 P8 -","8","1","","Yamada, Shigeyuki; Ishii, Emi; Konno, Tsutomu; Ishihara, Takashi","Reaction of perfluorocyclopentene with various carbon nucleophiles‒heteroaromatic lithium reagents, enolate and phosphonium ylide.","Organic & biomolecular chemistry","2007","5","9","1442","1449","10.1039/b701702b","","","1.54178","CuKα","","","0.0485","","","","0.117","","","","","","1.106","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151106","10.9131","0.0002","13.5228","0.0002","20.2901","0.0003","90","","90","","90","","2994.33","0.08","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Sp)-8-(2-Furyl)adenosine-2'-O-(tert-butyldimethylsilyl)- 3',5'-cyclic N-phenylphosphoramidate","(Sp)-8-(2-Furyl)adenosine-2'-O-(tert-butyldimethylsilyl)-3',5'-cyclic N- phenylphosphoramidate","","- C26 H33 N6 O6 P Si -","- C26 H33 N6 O6 P Si -","- C104 H132 N24 O24 P4 Si4 -","4","1","","Andrei, Mioara; Bjørnstad, Vidar; Langli, Geir; Rømming, Christian; Klaveness, Jo; Taskén, Kjetil; Undheim, Kjell","Stereoselective preparation of (RP)-8-hetaryladenosine-3',5'-cyclic phosphorothioic acids.","Organic & biomolecular chemistry","2007","5","13","2070","2080","10.1039/b702403g","","","0.71073","MoKα","","0.0252","0.0244","","","0.065","0.066","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151107","10.8533","0.0005","13.3879","0.0006","20.9242","0.0009","90","","90","","90","","3040.3","0.2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Sp)-8-(2-Furyrl)adenosine-2'-O-(tert-butylmethylsilyl)-3',5'- cyclic N-benzylphosphoramidate","(Sp)-8-(2-Furyrl)adenosine-2'-O-(tert-butylmethylsilyl)-3',5'-cyclic N- benzylphosphoramidate","","- C27 H35 N6 O6 P Si -","- C27 H35 N6 O6 P Si -","- C108 H140 N24 O24 P4 Si4 -","4","1","","Andrei, Mioara; Bjørnstad, Vidar; Langli, Geir; Rømming, Christian; Klaveness, Jo; Taskén, Kjetil; Undheim, Kjell","Stereoselective preparation of (RP)-8-hetaryladenosine-3',5'-cyclic phosphorothioic acids.","Organic & biomolecular chemistry","2007","5","13","2070","2080","10.1039/b702403g","","","0.71073","MoKα","","0.0416","0.032","","","0.0802","0.0857","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151108","8.38","0.007","10.583","0.008","29.23","0.03","90","","99.424","0.01","90","","2557","4","183.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-Amino-9-(2-(4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl- imidazolidin-2-yl)-phenoxy)-ethyl)-1,9-dihydro-purin-6-one","2-Amino-9-{2-[4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl- imidazolidin-2-yl)-phenoxy]-ethyl}-1,9-dihydro-purin-6-one","","- C21 H25 Cl3 N7 O4 -","- C21 H25 Cl3 N7 O4 -","- C84 H100 Cl12 N28 O16 -","4","1","","Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","A guanine-substituted nitronyl nitroxide radical forming a one-dimensional ferromagnetic chain.","Organic & biomolecular chemistry","2007","5","10","1641","1645","10.1039/b702606d","","","0.7107","MoKα","","","0.0819","","","","0.1968","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151109","21.9143","0.001","10.1032","0.0005","8.7088","0.0004","90","","98.099","0.001","90","","1908.94","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl2 N3 O2 -","- C20 H19 Cl2 N3 O2 -","- C80 H76 Cl8 N12 O8 -","4","1","","Marchetti, Francesco; Sayle, Kerry L.; Bentley, Johanne; Clegg, William; Curtin, Nicola J.; Endicott, Jane A.; Golding, Bernard T.; Griffin, Roger J.; Haggerty, Karen; Harrington, Ross W.; Mesguiche, Veronique; Newell, David R.; Noble, Martin E. M.; Parsons, Rachel J.; Pratt, David J.; Wang, Lan Z.; Hardcastle, Ian R.","Structure-based design of 2-arylamino-4-cyclohexylmethoxy-5-nitroso-6-aminopyrimidine inhibitors of cyclin-dependent kinase 2.","Organic & biomolecular chemistry","2007","5","10","1577","1585","10.1039/b703241b","","","0.8462","synchrotron","","0.0449","0.0375","","","0.0931","0.0978","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151110","16.962","0.0014","10.7877","0.0009","27.228","0.002","90","","98.375","0.001","90","","4929.1","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Cl N4 O3 -","- C27 H27 Cl N4 O3 -","- C216 H216 Cl8 N32 O24 -","8","1","","Marchetti, Francesco; Sayle, Kerry L.; Bentley, Johanne; Clegg, William; Curtin, Nicola J.; Endicott, Jane A.; Golding, Bernard T.; Griffin, Roger J.; Haggerty, Karen; Harrington, Ross W.; Mesguiche, Veronique; Newell, David R.; Noble, Martin E. M.; Parsons, Rachel J.; Pratt, David J.; Wang, Lan Z.; Hardcastle, Ian R.","Structure-based design of 2-arylamino-4-cyclohexylmethoxy-5-nitroso-6-aminopyrimidine inhibitors of cyclin-dependent kinase 2.","Organic & biomolecular chemistry","2007","5","10","1577","1585","10.1039/b703241b","","","0.8462","synchrotron","","0.0518","0.0449","","","0.1102","0.1165","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151111","8.5254","0.0016","8.6886","0.0016","10.3659","0.0019","97.728","0.003","94.587","0.002","117.361","0.003","666.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C28 H32 N4 O8 -","2","1","","Newsome, Jeffery J.; Swann, Elizabeth; Hassani, Mary; Bray, Kurtis C.; Slawin, Alexandra M. Z.; Beall, Howard D.; Moody, Christopher J.","Indolequinone antitumour agents: correlation between quinone structure and rate of metabolism by recombinant human NAD(P)H:quinone oxidoreductase.","Organic & biomolecular chemistry","2007","5","10","1629","1640","10.1039/b703370b","","","0.71073","MoKα","","0.0726","0.0403","","","0.0911","0.1036","","","","","","0.892","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151112","11.8185","0.0004","11.0156","0.0004","18.8659","0.0008","90","","95.528","0.003","90","","2444.69","0.16","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","?","- C76 H88 N24 O44 -","- C76 H88 N24 O44 -","","","","Xia, Yi; Li, Wei; Qu, Fanqi; Fan, Zhijin; Liu, Xiufeng; Berro, Charles; Rauzy, Evelyne; Peng, Ling","Synthesis of bitriazolyl nucleosides and unexpectedly different reactivity of azidotriazole nucleoside isomers in the Huisgen reaction.","Organic & biomolecular chemistry","2007","5","11","1695","1701","10.1039/b703420b","","","","","","","","","","","","","","","","","","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151113","7.5396","0.0001","7.9351","0.0002","43.1982","0.0006","90","","90","","90","","2584.44","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-(4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl)-1-(2,3,5-tri-O- acetyl-beta-D-ribofuranosyl)-1,2,4-triazole-5-carboxylic acid methyl ester","3-[4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,3,5-tri-O-acetyl-beta- D-ribofuranosyl)-1,2,4-triazole-5-carboxylic acid methyl ester","","- C24 H26 N6 O10 -","- C24 H26 N6 O10 -","- C96 H104 N24 O40 -","4","1","","Xia, Yi; Li, Wei; Qu, Fanqi; Fan, Zhijin; Liu, Xiufeng; Berro, Charles; Rauzy, Evelyne; Peng, Ling","Synthesis of bitriazolyl nucleosides and unexpectedly different reactivity of azidotriazole nucleoside isomers in the Huisgen reaction.","Organic & biomolecular chemistry","2007","5","11","1695","1701","10.1039/b703420b","","","0.71073","MoKα","","0.0859","0.0613","","","0.1449","0.1791","","","","","","1.317","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151114","11.407","0.002","9.859","0.002","10.146","0.002","90","","96.153","0.006","90","","1134.5","0.4","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C15 H11 Br -","- C15 H11 Br -","- C60 H44 Br4 -","4","2","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","Joining the rings: the preparation of 2- and 3-indenyl-triptycenes, and curious related processes.","Organic & biomolecular chemistry","2007","5","12","1952","1960","10.1039/b703437g","","","0.71073","MoKα","","0.089","0.0597","","","0.1477","0.1998","","","","","","1.098","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151115","11.2911","0.0008","8.3652","0.0006","20.6135","0.0015","90","","100.741","0.002","90","","1912.9","0.2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 -","- C29 H20 -","- C116 H80 -","4","1","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","Joining the rings: the preparation of 2- and 3-indenyl-triptycenes, and curious related processes.","Organic & biomolecular chemistry","2007","5","12","1952","1960","10.1039/b703437g","","","0.71073","MoKα","","0.0584","0.0524","","","0.1317","0.1379","","","","","","1.046","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151116","14.876","0.002","10.0507","0.0014","12.6706","0.0018","90","","90","","90","","1894.4","0.5","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C29 H20 -","- C29 H20 -","- C116 H80 -","4","0.5","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","Joining the rings: the preparation of 2- and 3-indenyl-triptycenes, and curious related processes.","Organic & biomolecular chemistry","2007","5","12","1952","1960","10.1039/b703437g","","","0.71073","MoKα","","0.0587","0.053","","","0.1137","0.1164","","","","","","1.23","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151117","23.6218","0.0016","23.6218","0.0016","4.7492","0.0007","90","","90","","120","","2295","0.4","100","2","100","2","","","","","","","","2","P 61","P 61","169","","","","- C23 H16 -","- C23 H16 -","- C138 H96 -","6","1","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","Joining the rings: the preparation of 2- and 3-indenyl-triptycenes, and curious related processes.","Organic & biomolecular chemistry","2007","5","12","1952","1960","10.1039/b703437g","","","0.71073","MoKα","","0.0686","0.0623","","","0.1986","0.2088","","","","","","1.376","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151118","22.789","0.007","13.891","0.004","13.212","0.003","90","","101.325","0.011","90","","4101","2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H94 Fe2 N4 O2 -","- C100 H94 Fe2 N4 O2 -","- C200 H188 Fe4 N8 O4 -","2","0.5","","Schmittel, Michael; He, Bice; Kalsani, Venkateshwarlu; Bats, Jan W.","Supramolecular effects on the potential of redox units-nanoscaffolds internally functionalised with ferrocene units.","Organic & biomolecular chemistry","2007","5","15","2395","2403","10.1039/b703633g","","","0.71073","MoKα","","0.3733","0.1149","","","0.2201","0.3013","","","","","","0.877","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151119","8.2824","0.0006","13.7389","0.001","12.711","0.001","90","","91.284","0.001","90","","1446.04","0.19","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H46 O7 Si -","- C29 H46 O7 Si -","- C58 H92 O14 Si2 -","2","1","","Ahmad, Nadia M.; Rodeschini, Vincent; Simpkins, Nigel S.; Ward, Simon E.; Wilson, Claire","Synthetic studies towards garsubellin A: synthesis of model systems and potential mimics by regioselective lithiation of bicyclo[3.3.1]nonane-2,4,9-trione derivatives from catechinic acid.","Organic & biomolecular chemistry","2007","5","12","1924","1934","10.1039/b704311b","","","0.71073","MoKα","","0.039","0.0376","","","0.0991","0.1004","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151120","13.7696","0.0005","8.3551","0.0002","20.4951","0.0006","90","","90","","90","","2357.89","0.12","298","","","","","","","","","","Local laboratory","4","P b c n","-P 2n 2ab","60","","","","- C24 H28 F2 O9 -","- C24 H28 F2 O9 -","- C96 H112 F8 O36 -","4","0.5","","Wallner, Fredrik K.; Spjut, Sara; Boström, Dan; Elofsson, Mikael","Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase (19)F NMR spectroscopy.","Organic & biomolecular chemistry","2007","5","15","2464","2471","10.1039/b704472k","","","0.71073","MoKα","","0.1021","0.0595","","","0.1217","0.1389","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151121","4.7854","0.0006","11.316","0.002","22.705","0.003","80.348","0.008","86.525","0.01","86.318","0.007","1208.1","0.3","100","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C12 H15 F O5 -","- C12 H15 F O5 -","- C48 H60 F4 O20 -","4","2","","Wallner, Fredrik K.; Spjut, Sara; Boström, Dan; Elofsson, Mikael","Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase (19)F NMR spectroscopy.","Organic & biomolecular chemistry","2007","5","15","2464","2471","10.1039/b704472k","","","0.71074","MoKα","","0.1016","0.0669","","","0.1526","0.1734","","","","","","1.246","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151122","9.3443","0.0003","9.8498","0.0003","15.9297","0.0006","90","","103.866","0.0015","90","","1423.43","0.08","190","","190","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C30 H37 N3 O5 -","- C30 H37 N3 O5 -","- C60 H74 N6 O10 -","2","1","","Davies, Stephen G.; Garner, A. Christopher; Ouzman, Jaqueline V. A.; Roberts, Paul M.; Smith, Andrew D.; Snow, Emma J.; Thomson, James E.; Tamayo, Juan A.; Vickers, Richard J.","Diastereoselective synthesis of quaternary alpha-amino acids from diketopiperazine templates.","Organic & biomolecular chemistry","2007","5","13","2138","2147","10.1039/b704475e","","","0.71073","MoKα","","0.0651","0.0518","","0.0633","0.0566","0.0566","","","","","","1.0935","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151123","9.415","0.0001","33.845","0.0004","9.568","0.0002","90","","90","","90","","3048.85","0.08","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 N3 O7 -","- C31 H43 N3 O7 -","- C124 H172 N12 O28 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Ouzman, Jaqueline V. A.; Roberts, Paul M.; Smith, Andrew D.; Snow, Emma J.; Thomson, James E.; Tamayo, Juan A.; Vickers, Richard J.","Diastereoselective synthesis of quaternary alpha-amino acids from diketopiperazine templates.","Organic & biomolecular chemistry","2007","5","13","2138","2147","10.1039/b704475e","","","0.71073","MoKα","","0.0839","0.0718","","0.0845","0.0722","0.0722","","","","","","0.96","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151124","14.181","0.002","6.9634","0.001","17.674","0.003","90","","106.362","0.009","90","","1674.6","0.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br2 N3 O4 -","- C15 H17 Br2 N3 O4 -","- C60 H68 Br8 N12 O16 -","4","1","","Evans, Kathryn M.; Haraldsen, Jeralyn D.; Pearson, Russell J.; Slawin, Alexandra M. Z.; Ward, Gary E.; Westwood, Nicholas J.","Synthesis and chemical characterisation of target identification reagents based on an inhibitor of human cell invasion by the parasite Toxoplasma gondii.","Organic & biomolecular chemistry","2007","5","13","2063","2069","10.1039/b704685e","","","0.71073","MoKα","","0.0928","0.0739","","","0.1515","0.1615","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151125","6.0186","0.0002","14.441","0.0004","26.8635","0.0008","90","","91.465","0.002","90","","2334.07","0.12","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C104 H144 O24 -","8","2","","McGowan, Craig A.; Schmieder, Ann-Kathrin; Roberts, Lee; Greaney, Michael F.","Synthesis of the guanacastepene A-B hydrazulene ring system through photochemical ring transposition.","Organic & biomolecular chemistry","2007","5","10","1522","1524","10.1039/b704865c","","","0.71073","MoKα","","0.0928","0.0553","","0.106","0.0911","0.106","","","","","","0.8325","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151126","7.2231","0.0003","9.3503","0.0004","17.2474","0.0006","90","","90","","90","","1164.86","0.08","150","","150","","","","","","","","?","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","McGowan, Craig A.; Schmieder, Ann-Kathrin; Roberts, Lee; Greaney, Michael F.","Synthesis of the guanacastepene A-B hydrazulene ring system through photochemical ring transposition.","Organic & biomolecular chemistry","2007","5","10","1522","1524","10.1039/b704865c","","","0.71073","MoKα","","0.0664","0.0501","","0.1074","0.1","0.1074","","","","","","0.8705","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151127","6.8884","0.0002","8.7287","0.0003","10.4626","0.0003","90","","103.724","0.002","90","","611.12","0.03","150","","150","","","","","","","","C. McGowan","3","P 1 c 1","P -2yc","7","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C28 H44 O4 -","2","1","","McGowan, Craig A.; Schmieder, Ann-Kathrin; Roberts, Lee; Greaney, Michael F.","Synthesis of the guanacastepene A-B hydrazulene ring system through photochemical ring transposition.","Organic & biomolecular chemistry","2007","5","10","1522","1524","10.1039/b704865c","","","0.71073","MoKα","","0.0348","0.0335","","0.0801","0.0795","0.0801","","","","","","0.9682","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151128","9.5595","0.0002","17.1047","0.0005","13.6097","0.0003","90","","98.2945","0.0016","90","","2202.08","0.09","190","","190","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N2 O -","- C26 H28 N2 O -","- C104 H112 N8 O4 -","4","2","","Davies, Stephen G.; Garner, A. Christopher; Goddard, Euan C.; Kruchinin, Dennis; Roberts, Paul M.; Smith, Andrew D.; Rodriguez-Solla, Humberto; Thomson, James E.; Toms, Steven M.","Asymmetric synthesis of 3,4-anti- and 3,4-syn-substituted aminopyrrolidines via lithium amide conjugate addition.","Organic & biomolecular chemistry","2007","5","12","1961","1969","10.1039/b704932c","","","0.71073","MoKα","","0.0583","0.0469","","0.0748","0.058","0.058","","","","","","1.0904","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151129","12.9386","0.0008","12.9386","0.0008","8.5628","0.0007","90","","90","","90","","1433.48","0.17","120","2","120","2","","","","","","","","4","P 42","P 4c","77","","","","- C12 H24 N3 O3.5 -","- C12 H24 N3 O3.5 -","- C48 H96 N12 O14 -","4","1","","Hosseini, Masood; Grau, Jakob S.; Sørensen, Kasper K; Søtofte, Inger; Tanner, David; Murray, Anthony; Tønder, Janne E","Short and efficient diastereoselective synthesis of pyrrolidinone-containing dipeptide analogues.","Organic & biomolecular chemistry","2007","5","14","2207","2210","10.1039/b705093c","","","0.71073","MoKα","","0.1077","0.1025","","","0.2067","0.2087","","","","","","1.23","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151130","7.8129","0.0004","28.2692","0.0013","7.6955","0.0003","90","","99.413","0.001","90","","1676.78","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Br N3 O3 -","- C17 H22 Br N3 O3 -","- C68 H88 Br4 N12 O12 -","4","1","","Barbeau, Olivier R.; Cano-Soumillac, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Smith, Graeme C. M.; Richardson, Caroline; Clegg, William; Harrington, Ross W.; Golding, Bernard T.","Quinolinone and pyridopyrimidinone inhibitors of DNA-dependent protein kinase","Organic & Biomolecular Chemistry","2007","5","16","2670","","10.1039/b705095j","","","0.71073","MoKα","","0.0412","0.0331","","","0.0796","0.0827","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151131","20.22","0.009","16.889","0.007","23.103","0.01","90","","110.821","0.007","90","","7374","6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F3 N3 O5 S -","- C13 H12 F3 N3 O5 S -","- C260 H240 F60 N60 O100 S20 -","20","5","","Barbeau, Olivier R.; Cano-Soumillac, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Smith, Graeme C. M.; Richardson, Caroline; Clegg, William; Harrington, Ross W.; Golding, Bernard T.","Quinolinone and pyridopyrimidinone inhibitors of DNA-dependent protein kinase","Organic & Biomolecular Chemistry","2007","5","16","2670","","10.1039/b705095j","","","0.6898","synchrotron","","0.0834","0.0471","","","0.1104","0.1275","","","","","","1.023","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151132","11.237","0.002","11.608","0.002","13.253","0.003","68.38","0.03","84.74","0.03","66.43","0.03","1469.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 Cl3 O Si2 -","- C29 H31 Cl3 O Si2 -","- C58 H62 Cl6 O2 Si4 -","2","1","","Hu, Qiaoshu; Wang, Chao; Li, Dongzhen; Xi, Zhenfeng","Formation of stable enols from 1,4-dilithio-1,3-dienes and acid chlorides by a de-aromatization/Michael addition/re-aromatization domino process.","Organic & biomolecular chemistry","2007","5","13","2114","2118","10.1039/b705110g","","","0.71073","MoKα","","0.079","0.0491","","","0.1193","0.128","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151133","8.615","0.006","12.829","0.004","14.996","0.005","88.06","0.03","78.28","0.04","75.7","0.04","1572.3","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H40 N6 O6 P2 -","- C29 H40 N6 O6 P2 -","- C58 H80 N12 O12 P4 -","2","1","","Skarpos, Hanna; Osipov, Sergey N.; Vorob'eva, Daria V.; Odinets, Irina L.; Lork, Enno; Röschenthaler, Gerd-Volker","Synthesis of functionalized bisphosphonates via click chemistry.","Organic & biomolecular chemistry","2007","5","15","2361","2367","10.1039/b705510b","","","0.71073","MoKα","","0.1135","0.0702","","","0.1681","0.194","","","","","","1.024","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151134","6.052","0.0001","23.756","0.0005","23.944","0.0005","90","","90","","90","","3442.46","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H46 O6 -","- C39 H46 O6 -","- C156 H184 O24 -","4","1","","Risseeuw, Martijn D. P.; Mazurek, Jaroslaw; van Langenvelde, Arjan; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Synthesis of alkylated sugar amino acids: conformationally restricted L-Xaa-L-Ser/Thr mimics.","Organic & biomolecular chemistry","2007","5","14","2311","2314","10.1039/b705750d","","","0.71073","MoKα","","0.0747","0.0465","","","0.0858","0.0965","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151135","10.978","0.0015","4.7347","0.0006","16.96","0.002","90","","108.412","0.002","90","","836.41","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 F8 I2 O2 -","- C20 F8 I2 O2 -","- C40 F16 I4 O4 -","2","0.5","","Miyata, Yasuo; Minari, Takeo; Nemoto, Takashi; Isoda, Seiji; Komatsu, Koichi","Synthesis of fluorinated anti-fluorenacenedione and the structural, electronic, and field-effect properties","Organic & Biomolecular Chemistry","2007","5","16","2592","","10.1039/b706621j","","","0.71073","MoKα","","0.029","0.0244","","","0.06","0.0625","","","","","","1.002","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151136","11.3312","0.0012","11.4371","0.0012","14.5628","0.0016","90","","111.863","0.002","90","","1751.5","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","6,19-cyclopregn-4-ene-3,20-dione","6,19-cyclopregn-4-ene-3,20-dione","","- C21 H28 O2 -","- C21 H28 O2 -","- C84 H112 O8 -","4","2","","Di Chenna, Pablo H.; Veleiro, Adriana S.; Sonego, Juan M.; Ceballos, Nora R.; Garland, M. Teresa; Baggio, Ricardo F.; Burton, Gerardo","Synthesis of 6,19-cyclopregnanes. Constrained analogues of steroid hormones.","Organic & biomolecular chemistry","2007","5","15","2453","2457","10.1039/b706828j","","","0.71073","MoKα","","0.0852","0.057","","","0.0832","0.0901","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151137","11.5985","0.0004","14.1871","0.0005","14.5743","0.0006","90","","100.842","0.002","90","","2355.38","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(2)Pseudorotaxane_CH3CN","","","- C44 H54 B2 F8 N6 O8 -","- C44 H54 B2 F8 N6 O8 -","- C88 H108 B4 F16 N12 O16 -","2","0.5","","Castillo, Dolores; Astudillo, Pablo; Mares, Jennifer; González, Felipe J; Vela, Alberto; Tiburcio, Jorge","Chemically controlled self-assembly of [2]pseudorotaxanes based on 1,2-bis(benzimidazolium)ethane cations and 24-crown-8 macrocycles.","Organic & biomolecular chemistry","2007","5","14","2252","2256","10.1039/b707211b","","","0.71073","MoKα","","0.1453","0.0991","","","0.2662","0.3129","","","","","","1.038","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151138","8.9189","0.0003","11.0803","0.0004","12.0622","0.0004","81.66","0.002","79.928","0.001","77.557","0.002","1138.93","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(2)Pseudorotaxane_CH3NO2","","","- C42 H54 B2 F8 N6 O12 -","- C42 H54 B2 F8 N6 O12 -","- C42 H54 B2 F8 N6 O12 -","1","0.5","","Castillo, Dolores; Astudillo, Pablo; Mares, Jennifer; González, Felipe J; Vela, Alberto; Tiburcio, Jorge","Chemically controlled self-assembly of [2]pseudorotaxanes based on 1,2-bis(benzimidazolium)ethane cations and 24-crown-8 macrocycles.","Organic & biomolecular chemistry","2007","5","14","2252","2256","10.1039/b707211b","","","0.71073","MoKα","","0.097","0.0608","","","0.1327","0.1575","","","","","","1.017","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151139","14.913","0.003","15.95","0.003","14.25","0.003","90","","90","","90","","3389.5","1.2","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C152 H168 N8 O48 -","8","1","","Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G.","Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata.","Organic & biomolecular chemistry","2007","5","18","2983","2991","10.1039/b707576f","","","0.71073","MoKα","","0.18","0.0701","","","0.1614","0.2289","","","","","","0.961","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151140","7.3052","0.0009","13.9881","0.0018","17.435","0.002","70.603","0.002","87.747","0.002","84.239","0.002","1672","0.4","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H20 Cl N O5 -","- C18 H20 Cl N O5 -","- C72 H80 Cl4 N4 O20 -","4","4","","Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G.","Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata.","Organic & biomolecular chemistry","2007","5","18","2983","2991","10.1039/b707576f","","","0.71073","MoKα","","0.1222","0.0977","","","0.2467","0.2706","","","","","","1.047","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151141","6.9224","0.0007","13.7063","0.0014","10.2746","0.001","90","","99.149","0.002","90","","962.46","0.17","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","Goh, Yit Wooi; White, Jonathan M.","Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction.","Organic & biomolecular chemistry","2007","5","15","2354","2356","10.1039/b707643f","","","0.71073","MoKα","","0.0449","0.0364","","","0.0905","0.0936","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151142","7.6323","0.0008","8.5174","0.0009","17.502","0.0019","90","","97.041","0.002","90","","1129.2","0.2","130","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Goh, Yit Wooi; White, Jonathan M.","Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction.","Organic & biomolecular chemistry","2007","5","15","2354","2356","10.1039/b707643f","","","0.71073","MoKα","","0.0725","0.0484","","","0.0965","0.1051","","","","","","0.959","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151143","9.304","0.0008","8.6876","0.0007","12.6963","0.0011","90","","90","","90","","1026.23","0.15","130","2","130","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C44 H68 N4 O12 -","4","0.5","","Goh, Yit Wooi; White, Jonathan M.","Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction.","Organic & biomolecular chemistry","2007","5","15","2354","2356","10.1039/b707643f","","","0.71073","MoKα","","0.0288","0.0284","","","0.0744","0.0747","","","","","","1.078","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151144","14.118","0.0003","6.1198","0.0002","14.4072","0.0004","90","","108.441","0.0011","90","","1180.85","0.06","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H34 N2 O3 -","- C26 H34 N2 O3 -","- C52 H68 N4 O6 -","2","1","","Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives.","Organic & biomolecular chemistry","2007","5","17","2812","2825","10.1039/b707689d","","","0.71073","MoKα","","0.036","0.0335","","0.037","0.0354","0.0354","","","","","","1.1739","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151145","8.6876","0.0002","14.8422","0.0003","22.3552","0.0004","90","","90","","90","","2882.55","0.1","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O4 -","- C32 H38 N2 O4 -","- C128 H152 N8 O16 -","4","1","","Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives.","Organic & biomolecular chemistry","2007","5","17","2812","2825","10.1039/b707689d","","","0.71073","MoKα","","0.0528","0.0375","","0.056","0.0433","0.0433","","","","","","1.0991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151146","11.5661","0.0002","12.049","0.0002","20.5677","0.0004","90","","90","","90","","2866.31","0.09","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 N2 O4 -","- C29 H40 N2 O4 -","- C116 H160 N8 O16 -","4","1","","Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives.","Organic & biomolecular chemistry","2007","5","17","2812","2825","10.1039/b707689d","","","0.71073","MoKα","","0.0676","0.0426","","0.0661","0.0502","0.0502","","","","","","1.0963","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151147","10.2895","0.0006","10.2232","0.0005","22.4956","0.0011","90","","94.284","0.002","90","","2359.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H31 N O6 S -","- C22 H31 N O6 S -","- C88 H124 N4 O24 S4 -","4","1","","Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.","Organic & biomolecular chemistry","2007","5","18","2925","2931","10.1039/b708139a","","","1.54178","CuKα","","0.0671","0.0476","","","0.1293","0.1469","","","","","","1.015","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151148","11.0618","0.0002","17.0577","0.0002","16.0387","0.0002","90","","105.509","0.001","90","","2916.13","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 N O10 S -","- C27 H35 N O10 S -","- C108 H140 N4 O40 S4 -","4","1","","Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.","Organic & biomolecular chemistry","2007","5","18","2925","2931","10.1039/b708139a","","","1.54178","CuKα","","0.1213","0.0885","","","0.2425","0.2724","","","","","","0.945","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151149","6.1394","0.0008","21.563","0.003","13.0265","0.0014","90","","102.48","0.008","90","","1683.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","","Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.","Organic & biomolecular chemistry","2007","5","18","2925","2931","10.1039/b708139a","","","1.54178","CuKα","","0.1303","0.0894","","","0.2196","0.2425","","","","","","1.074","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151150","7.6072","0.0003","12.0948","0.0004","17.8368","0.0006","90","","96.33","0.002","90","","1631.12","0.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","1","","Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.","Organic & biomolecular chemistry","2007","5","18","2925","2931","10.1039/b708139a","","","1.54178","CuKα","","0.0486","0.0396","","","0.1066","0.1129","","","","","","1.034","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151151","6.0833","0.0005","9.5865","0.0007","22.1903","0.0017","81.993","0.005","86.709","0.005","78.059","0.004","1253.19","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 Cl3 N2 O5 S -","- C21 H27 Cl3 N2 O5 S -","- C42 H54 Cl6 N4 O10 S2 -","2","1","","Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S.","Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes.","Organic & biomolecular chemistry","2007","5","18","2925","2931","10.1039/b708139a","","","1.54178","CuKα","","0.1168","0.0596","","","0.1385","0.1692","","","","","","0.94","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151152","13.9345","0.0002","8.792","0.0002","16.3108","0.0003","90","","96.0142","0.0011","90","","1987.27","0.06","200","","200","","","","","","","","?","3","P 1 21/a 1","-P 2yab","14","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group","Organic & Biomolecular Chemistry","2007","5","16","2606","","10.1039/b708324f","","","0.71073","MoKα","","0.0485","0.0325","","0.0427","0.0351","0.0351","","","","","","1.1283","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151153","15.0402","0.0003","15.3235","0.0003","19.7863","0.0005","90","","90","","90","","4560.12","0.17","200","","200","","","","","","","","?","3","P b c a","-P 2ac 2ab","61","","","","- C27 H26 O6 -","- C27 H26 O6 -","- C216 H208 O48 -","8","1","","Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group","Organic & Biomolecular Chemistry","2007","5","16","2606","","10.1039/b708324f","","","0.71073","MoKα","","0.0402","0.0325","","0.041","0.0361","0.0361","","","","","","1.0664","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151154","11.019","0.0004","7.6264","0.0003","12.1306","0.0005","90","","91.3965","0.0017","90","","1019.1","0.07","200","","200","","","","","","","","?","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C50 H48 O8 -","2","1","","Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group","Organic & Biomolecular Chemistry","2007","5","16","2606","","10.1039/b708324f","","","0.71073","MoKα","","0.0353","0.0353","","0.0391","0.0391","0.0391","","","","","","1.0875","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151155","7.3431","0.0003","6.158","0.0003","14.2504","0.0006","90","","90.828","0.001","90","","644.32","0.05","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H15 Cl2 N O2 -","- C11 H15 Cl2 N O2 -","- C22 H30 Cl4 N2 O4 -","2","1","","Spiess, Stephanie; Berthold, Carola; Weihofen, Robert; Helmchen, Günter","Synthesis of alpha,beta-unsaturated gamma-lactams via asymmetric iridium-catalysed allylic substitution.","Organic & biomolecular chemistry","2007","5","15","2357","2360","10.1039/b708571k","","","0.71073","MoKα","","0.0677","0.0456","","","0.087","0.0957","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151156","12.996","0.002","9.9631","0.0015","17.8565","0.0018","90","","116.763","0.008","90","","2064.4","0.5","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cu N5 O6 -","- C22 H17 Cu N5 O6 -","- C88 H68 Cu4 N20 O24 -","4","1","","Bertrand, Hélène; Monchaud, David; De Cian, Anne; Guillot, Régis; Mergny, Jean-Louis; Teulade-Fichou, Marie-Paule","The importance of metal geometry in the recognition of G-quadruplex-DNA by metal-terpyridine complexes","Organic & Biomolecular Chemistry","2007","5","16","2555","","10.1039/b708635k","","x-ray","0.71073","MoKα","","0.085","0.0733","","","0.207","0.2111","","","","","","1.088","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7151157","7.6411","0.0003","8.4172","0.0003","12.521","0.0005","71.402","0.001","85.487","0.002","63.189","0.002","679.18","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N3 O2 -","- C15 H17 N3 O2 -","- C30 H34 N6 O4 -","2","1","","Kumarn, Sirirat; Oelke, Alexander J.; Shaw, David M.; Longbottom, Deborah A.; Ley, Steven V.","A sequential enantioselective, organocatalytic route to chiral 1,2-oxazines and chiral pyridazines","Organic & Biomolecular Chemistry","2007","5","16","2678","","10.1039/b708646f","","","0.71073","MoKα","","0.0649","0.0448","","","0.1016","0.1124","","","","","","1.034","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151158","10.716","0.001","20.066","0.002","10.835","0.001","90","","91.767","0.009","90","","2328.7","0.4","296.2","","296.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl3 N O5 S -","- C20 H24 Cl3 N O5 S -","- C80 H96 Cl12 N4 O20 S4 -","4","1","","Baylis, Alison M.; Davies, Michael P. H.; Thomas, Eric J.","Synthetic approaches to the polycyclic alkaloid stemofoline.","Organic & biomolecular chemistry","2007","5","19","3139","3155","10.1039/b708910d","","","1.5418","CuKα","","","0.0774","","","0.0956","","","","","3.081","3.081","","","","","has coordinates","209484","2020-10-21","18:00:00",""
"7151159","16.5525","0.0003","10.1393","0.0002","14.0826","0.0003","90","","90","","90","","2363.49","0.08","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","3-bromo-4,5,6,7-tetrahydroazepinobenzisothiazole-1,1-dioxide","","- C12 H12 Br N O2 S -","- C12 H12 Br N O2 S -","- C96 H96 Br8 N8 O16 S8 -","8","1","","Harling, John D.; Steel, Patrick G.; Woods, Tom M.; Yufit, Dmitry S.","One-pot synthesis of benzothiazolines and napthathiazolines via cascade ortho-lithiation, cyclisation and elimination of N-arylsulfonyl lactams.","Organic & biomolecular chemistry","2007","5","21","3472","3476","10.1039/b708967h","","","0.71073","Mo-Kα","","0.0345","0.0285","","","0.0695","0.0724","","","","","","1.145","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7151160","10.79","0.004","10.8","0.003","13.163","0.004","96.79","0.03","106","0.03","105.9","0.03","1386.6","0.9","150","","150","","","","","","","","","4","P 1","P 1","1","8-((1'',10'''-phenantroline-2''-yl)phenyl)-2'-deoxyadenosine","8-[(1'',10'''-phenantroline-2''-yl]phenyl]-2'-deoxyadenosine","","- C28 H23 N7 O3 -","- C28 H22.5 N7 O3 -","- C56 H45 N14 O6 -","2","2","","Vrábel, Milan; Pohl, Radek; Klepetárová, Blanka; Votruba, Ivan; Hocek, Michal","Synthesis of 2'-deoxyadenosine nucleosides bearing bipyridine-type ligands and their Ru-complexes in position 8 through cross-coupling reactions.","Organic & biomolecular chemistry","2007","5","17","2849","2857","10.1039/b709245h","","x-ray","1.54184","CuKα","","0.0894","0.0576","","0.092","0.0712","0.0712","","","","","","0.987","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151161","13.291","0.005","13.669","0.005","16.242","0.005","89.02","0.03","71.32","0.03","89.82","0.04","2794.9","1.8","150","","150","","","","","","","","","7","P 1","P 1","1","8((1'',10'''-phenantroline-2''-yl)phenyl-(bis (2,2')- bipyridine)ruthenium)-2'-deoxyadenosine-dihexafluorophosphate","8{(1'',10'''-phenantroline-2''-yl)phenyl-(bis [2,2']-bipyridine)ruthenium}-2'-deoxyadenosine- dihexafluorophosphate","","- C48 H38 F12 N11 O3 P2 Ru2 -","- C48 H37.5 F12 N11 O3 P2 Ru -","- C96 H75 F24 N22 O6 P4 Ru2 -","2","2","","Vrábel, Milan; Pohl, Radek; Klepetárová, Blanka; Votruba, Ivan; Hocek, Michal","Synthesis of 2'-deoxyadenosine nucleosides bearing bipyridine-type ligands and their Ru-complexes in position 8 through cross-coupling reactions.","Organic & biomolecular chemistry","2007","5","17","2849","2857","10.1039/b709245h","","x-ray","1.54184","CuKα","","0.0727","0.0585","","0.0778","0.0689","0.0689","","","","","","1.1081","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151162","16.9623","0.0004","9.9591","0.0002","11.0721","0.0003","90","","96.287","0.001","90","","1859.15","0.08","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(1S*,2S*,3R*,4R*)-4-Cyclohexyl-3-ethenyl-4-methoxy-2-methyl-1- phenylbutan-1-ol","(1S*,2S*,3R*,4R*)-4-Cyclohexyl-3-ethenyl-4-methoxy-2-methyl-1-phenylbutan-1-ol","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","","Hughes, Nicholas J.; Pullin, Robert D. C.; Sanganee, Mahesh J.; Sellars, Jonathan D.; Steel, Patrick G.; Turner, Michael J.","Hosomi-Sakurai reactions of silacyclohexenes.","Organic & biomolecular chemistry","2007","5","17","2841","2848","10.1039/b709318g","","","0.71073","MoKα","","0.0781","0.0385","","0.1426","0.0891","0.0891","","","","","","1.0325","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151163","9.3614","0.0007","10.3321","0.0004","20.0889","0.0015","90","","90","","90","","1943.1","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5S,6S-5,6-bis((4'R)-2',2'-dimethyl-1,3-dioxolan-4'-yl)-5,6- dihydro-1,3-dithiolo(4,5-b)1,4-dithiin-2-thione","5S,6S-5,6-bis((4'R)-2',2'-dimethyl-1,3-dioxolan-4'-yl)-5,6-dihydro-1,3- dithiolo[4,5-b]1,4-dithiin-2-thione","","- C15 H20 O4 S5 -","- C15 H20 O4 S5 -","- C60 H80 O16 S20 -","4","1","","Brown, R. James; Brooks, Andrew C.; Griffiths, Jon-Paul; Vital, Betrand; Day, Peter; Wallis, John D.","Synthesis of bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) derivatives functionalised with two, four or eight hydroxyl groups.","Organic & biomolecular chemistry","2007","5","19","3172","3182","10.1039/b709823e","","","0.71073","MoKα","","0.1543","0.0607","","","0.0985","0.1153","","","","","","0.87","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151164","9.243","0.005","5.497","0.003","12.258","0.007","90","","95.177","0.009","90","","620.3","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C24 H26 N2 O6 S2 -","2","1","","Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.","Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.","Organic & biomolecular chemistry","2007","5","19","3156","3163","10.1039/b710237b","","","0.71073","MoKα","","0.1055","0.0664","","","0.1539","0.1731","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151165","7.5636","0.0011","10.4554","0.0016","15.375","0.002","90","","90","","90","","1215.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O4 S -","- C12 H12 O4 S -","- C48 H48 O16 S4 -","4","1","","Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.","Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.","Organic & biomolecular chemistry","2007","5","19","3156","3163","10.1039/b710237b","","","0.71073","MoKα","","0.0398","0.0315","","","0.077","0.0803","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151166","8.587","0.003","5.2659","0.0018","19.647","0.007","90","","95.641","0.006","90","","884.1","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Br N O3 S -","- C16 H22 Br N O3 S -","- C32 H44 Br2 N2 O6 S2 -","2","1","","Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.","Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.","Organic & biomolecular chemistry","2007","5","19","3156","3163","10.1039/b710237b","","","0.71073","MoKα","","0.0577","0.0433","","","0.0914","0.0971","","","","","","0.976","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151167","5.249","0.003","5.794","0.003","20.357","0.012","90","","94.212","0.01","90","","617.4","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C24 H26 N2 O6 S2 -","2","1","","Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.","Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.","Organic & biomolecular chemistry","2007","5","19","3156","3163","10.1039/b710237b","","","0.71073","MoKα","","0.075","0.0568","","","0.13","0.1356","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151168","7.4415","0.0013","21.445","0.004","8.9163","0.0015","90","","104.154","0.002","90","","1379.7","0.4","110","2","110","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 I N4 O -","- C13 H15 I N4 O -","- C52 H60 I4 N16 O4 -","4","1","","Pérez-Castro, Isabel; Caamaño, Olga; Fernández, Franco; García, Marcos D; López, Carmen; De Clercq, Erik","Synthesis of 4-substituted-1,2,3-triazole carbanucleoside analogues of ribavirin via click chemistry.","Organic & biomolecular chemistry","2007","5","23","3805","3813","10.1039/b710348d","","x-ray","0.7107","MoKα","","0.0389","0.0265","","","0.0613","0.0649","","","","","","1.066","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151169","11.0274","0.0005","8.9869","0.0005","21.255","0.0008","90","","91.304","0.003","90","","2105.87","0.17","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H56 N8 O8 -","- C44 H56 N8 O8 -","- C88 H112 N16 O16 -","2","0.5","","Wilson, Jennifer M.; Giordani, Federica; Farrugia, Louis J.; Barrett, Michael P.; Robins, David J.; Sutherland, Andrew","Synthesis, characterisation and anti-protozoal activity of carbamate-derived polyazamacrocycles.","Organic & biomolecular chemistry","2007","5","22","3651","3656","10.1039/b710487a","","x-ray","0.71073","MoKα","","0.1194","0.0589","","","0.1213","0.1376","","","","","","1.056","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151170","11.1024","0.0004","13.8168","0.0005","26.9261","0.0009","90","","90","","90","","4130.5","0.3","295","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H34 Cl2 N2 O6 P2 Pt -","- C42 H30 Cl2 N2 O6 P2 Pt -","- C168 H120 Cl8 N8 O24 P8 Pt4 -","4","1","","Eberhardt, Luc; Armspach, Dominique; Matt, Dominique; Oswald, Benoît; Toupet, Loic","Efficient asymmetric hydrogenation of olefins with hydrazine-derived diphosphoramidites.","Organic & biomolecular chemistry","2007","5","20","3340","3346","10.1039/b710576b","","","0.71069","MoKα","","0.051","0.0422","","","0.1143","0.1181","","","","","","1.03","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151171","7.944","0.003","9.7","0.004","11.001","0.003","81.649","0.003","74.131","0.003","67.241","0.002","751.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cl N2 O2.5 Se -","- C14 H11 Cl N2 O2.5 Se -","- C28 H22 Cl2 N4 O5 Se2 -","2","1","","Kuzma, Dusan; Parvez, Masood; Back, Thomas George","Formation of a spirodiazaselenurane and its corresponding azaselenonium derivatives from the oxidation of 2,2'-selenobis(benzamide). Structure, properties and glutathione peroxidase activity.","Organic & biomolecular chemistry","2007","5","19","3213","3217","10.1039/b710685h","","","0.71073","MoKα","","0.05","0.035","","","0.076","0.081","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151172","4.554","0.002","18.386","0.004","9.912","0.007","90","","102.57","0.02","90","","810","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O6 Se -","- C14 H18 N2 O6 Se -","- C28 H36 N4 O12 Se2 -","2","1","","Kuzma, Dusan; Parvez, Masood; Back, Thomas George","Formation of a spirodiazaselenurane and its corresponding azaselenonium derivatives from the oxidation of 2,2'-selenobis(benzamide). Structure, properties and glutathione peroxidase activity.","Organic & biomolecular chemistry","2007","5","19","3213","3217","10.1039/b710685h","","","0.71073","MoKα","","0.12","0.075","","","0.137","0.159","","","","","","1.21","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151173","12.3636","0.001","5.2242","0.0004","13.3704","0.0011","90","","97.482","0.002","90","","856.24","0.12","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C42 H48 N4 O2 -","2","1","","Mikata, Yuji; Aida, Shiho; Inaba, Yoko; Yano, Shigenobu","Consideration of molecular arrangements in regio- and enantioselective reduction of an NAD model compound controlled by carbonyl oxygen orientation.","Organic & biomolecular chemistry","2007","5","23","3834","3841","10.1039/b710780c","","","0.7107","MoKα","","","0.051","","","","0.102","","","","","","1.133","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151174","5.3478","0.001","13.519","0.003","23.99","0.005","90","","90","","90","","1734.4","0.6","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","1","","Mikata, Yuji; Aida, Shiho; Inaba, Yoko; Yano, Shigenobu","Consideration of molecular arrangements in regio- and enantioselective reduction of an NAD model compound controlled by carbonyl oxygen orientation.","Organic & biomolecular chemistry","2007","5","23","3834","3841","10.1039/b710780c","","","0.7107","MoKα","","","0.039","","","","0.115","","","","","","1.155","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151175","11.3721","0.0014","9.835","0.0013","20.671","0.002","90","","90","","90","","2311.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Fe N O4 -","- C10 H11 Fe N O4 -","- C80 H88 Fe8 N8 O32 -","8","1","","Williams, Iwan; Reeves, Keith; Kariuki, Benson M.; Cox, Liam R.","Stereoselective synthesis of 2-dienyl-substituted piperidines using an eta4-dienetricarbonyliron complex as the stereocontrolling element in a double reductive amination cascade.","Organic & biomolecular chemistry","2007","5","20","3325","3329","10.1039/b710898b","","","1.54178","CuKα","","0.1026","0.0559","","","0.1264","0.1444","","","","","","1.029","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151176","7.6829","0.0003","10.9941","0.0004","12.0958","0.0004","69.757","0.002","78.689","0.002","89.592","0.002","937.92","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H22 Br Fe N O3 -","- C17 H22 Br Fe N O3 -","- C34 H44 Br2 Fe2 N2 O6 -","2","1","","Williams, Iwan; Reeves, Keith; Kariuki, Benson M.; Cox, Liam R.","Stereoselective synthesis of 2-dienyl-substituted piperidines using an eta4-dienetricarbonyliron complex as the stereocontrolling element in a double reductive amination cascade.","Organic & biomolecular chemistry","2007","5","20","3325","3329","10.1039/b710898b","","","1.54178","CuKα","","0.0567","0.0433","","","0.1091","0.1167","","","","","","1.049","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151177","9.905","0.001","9.905","0.001","39.488","0.001","90","","90","","90","","3874.1","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C15 H22 F3 N O6 S2 -","- C15 H22 F3 N O6 S2 -","- C120 H176 F24 N8 O48 S16 -","8","1","","Chen, Yue-Lei; Redlich, Hartmut; Bergander, Klaus; Fröhlich, Roland","D-glucosamine trimethylene dithioacetal derivatives: formation of six- and seven-membered ring amino carbasugars. Synthesis of (-)-calystegine B3.","Organic & biomolecular chemistry","2007","5","20","3330","3339","10.1039/b711112f","","","1.54178","CuKα","","0.0499","0.0476","","","0.137","0.1405","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151178","7.119","0.0002","10.6793","0.0003","12.0216","0.0004","90","","90","","90","","913.95","0.05","190","","190","","","","","","","","","3","P 21 c n","P -2n 2a","33","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Davies, Stephen G.; Russell, Angela J.; Sheppard, Ruth L.; Smith, Andrew D.; Thomson, James E.","Evaluating beta-amino acids as enantioselective organocatalysts of the Hajos-Parrish-Eder-Sauer-Wiechert reaction.","Organic & biomolecular chemistry","2007","5","19","3190","3200","10.1039/b711171a","","","0.71073","MoKα","","0.0326","0.0289","","0.0383","0.0346","0.0346","","","","","","1.1066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151179","6.9811","0.0002","7.5933","0.0002","19.5994","0.0006","90","","94.874","0.001","90","","1035.2","0.05","190","","190","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Davies, Stephen G.; Russell, Angela J.; Sheppard, Ruth L.; Smith, Andrew D.; Thomson, James E.","Evaluating beta-amino acids as enantioselective organocatalysts of the Hajos-Parrish-Eder-Sauer-Wiechert reaction.","Organic & biomolecular chemistry","2007","5","19","3190","3200","10.1039/b711171a","","","0.71073","MoKα","","0.0591","0.0391","","0.0665","0.048","0.048","","","","","","1.0967","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151180","11.412","0.0005","5.887","0.0003","12.379","0.0007","90","","93.337","0.002","90","","830.24","0.07","30","2","30","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Br O5 -","- C6 H9 Br O5 -","- C24 H36 Br4 O20 -","4","1","","Pirinççioğlu, Necmettin; Robinson, James J.; Mahon, Mary F.; Buchanan, J. Grant; Williams, Ian H.","Experimental and computational evidence for alpha-lactone intermediates in the addition of aqueous bromine to disodium dimethyl-maleate and -fumarate.","Organic & biomolecular chemistry","2007","5","24","4001","4009","10.1039/b711538e","","","0.71073","MoKα","","0.0626","0.0381","","","0.0761","0.0832","","","","","","1.021","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151181","6.239","0.0003","7.228","0.0004","11.171","0.0008","85.342","0.002","82.801","0.002","69.105","0.003","466.56","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H10 Br O6 -","- C6 H11 Br O6 -","- C12 H22 Br2 O12 -","2","1","","Pirinççioğlu, Necmettin; Robinson, James J.; Mahon, Mary F.; Buchanan, J. Grant; Williams, Ian H.","Experimental and computational evidence for alpha-lactone intermediates in the addition of aqueous bromine to disodium dimethyl-maleate and -fumarate.","Organic & biomolecular chemistry","2007","5","24","4001","4009","10.1039/b711538e","","","0.71073","MoKα","","0.0614","0.0379","","","0.0785","0.0877","","","","","","0.96","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151182","7.7577","0.0008","17.7377","0.0019","20.872","0.002","90","","90","","90","","2872.1","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(2R,3R,4S)-1-(Toluene-4-sulfonyl)-2-(carbamoyloxymethyl) -3,4- epoxypyrrolidine","(2R,3R,4S)-1-(Toluene-4-sulfonyl)-2-(carbamoyloxymethyl) -3,4-epoxypyrrolidine","","- C13 H16 N2 O5 S -","- C13 H16 N2 O5 S -","- C104 H128 N16 O40 S8 -","8","2","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.0482","0.0384","","","0.0673","0.0699","","","","","","0.914","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151183","11.501","0.003","6.2268","0.0017","19.785","0.006","90","","91.192","0.005","90","","1416.6","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2S,3S,4S)-1-(Toluene-4-sulfonyl)-4-hydroxy-2,3-(oxazin-2- one)-pyrrolidine","(2S,3S,4S)-1-(Toluene-4-sulfonyl)-4-hydroxy-2,3-(oxazin-2-one)-pyrrolidine","","- C13 H16 N2 O5 S -","- C13 H16 N2 O5 S -","- C52 H64 N8 O20 S4 -","4","2","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.149","0.1123","","","0.2547","0.2799","","","","","","1.002","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151184","7.5443","0.0006","10.6588","0.0009","17.4366","0.0015","90","","90","","90","","1402.1","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(2R,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-bromo-4- hydroxypyrrolidine","(2R,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-bromo-4-hydroxypyrrolidine","","- C12 H16 Br N O4 S -","- C12 H16 Br N O4 S -","- C48 H64 Br4 N4 O16 S4 -","4","1","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.0273","0.0255","","","0.0657","0.0661","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151185","7.539","0.004","17.643","0.009","11.223","0.005","90","","100.446","0.008","90","","1468","1.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2S,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-azido-4- hydroxypyrrolidine","(2S,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-azido-4-hydroxypyrrolidine","","- C12 H16 N4 O4 S -","- C12 H16 N4 O4 S -","- C48 H64 N16 O16 S4 -","4","2","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.1458","0.0797","","","0.1331","0.1542","","","","","","0.961","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151186","5.6923","0.0007","15.7807","0.0017","33.089","0.004","90","","90","","90","","2972.3","0.6","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N2 O5 S -","- C6.5 H7.5 N O2.5 S0.5 -","- C52 H60 N8 O20 S4 -","8","2","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.0833","0.0582","","","0.1165","0.1274","","","","","","0.986","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151187","5.098","0.001","14.076","0.002","20.831","0.007","90","","92.82","0.02","90","","1493","0.6","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O6 S2 -","- C14 H14 O6 S2 -","- C56 H56 O24 S8 -","4","1","","Hergué, Noémie; Frère, Pierre","Synthesis of 3,4-alkoxythieno[2,3-b]thiophene derivatives. The first block copolymer associating the 3,4-ethylenedioxythieno[2,3-b]thiophene (EDOThT) unit with 3,4-ethylenedioxythiophene (EDOT) moieties.","Organic & biomolecular chemistry","2007","5","21","3442","3449","10.1039/b712052d","","x-ray","0.71073","MoKα","","","0.0851","","","","0.1718","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151188","7.7573","0.0006","6.5351","0.0005","20.5605","0.0015","90","","93.341","0.002","90","","1040.54","0.14","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","(2S)-3-phenyl-2-((2S)-1-((1S)-1-phenylethyl)piperidin-2- yl)propionate","","","- C24 H31 N O2 -","- C24 H31 N O2 -","- C48 H62 N2 O4 -","2","1","","Hermet, Jean-Paul R; Viterisi, Aurélien; Wright, Jonathan M.; McGrath, Matthew J.; O'Brien, Peter; Whitwood, Adrian C.; Gilday, John","Stereocontrolled synthesis and alkylation of cyclic beta-amino esters: asymmetric synthesis of a (-)-sparteine surrogate.","Organic & biomolecular chemistry","2007","5","22","3614","3622","10.1039/b712503h","","","0.71073","MoKα","","0.0431","0.0373","","","0.0846","0.0889","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151189","8.8675","0.0012","12.5714","0.0017","16.873","0.002","77.372","0.003","85.404","0.003","69.451","0.002","1718.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 B Cl3 N6 O4 -","- C36 H24 B Cl3 N6 O4 -","- C72 H48 B2 Cl6 N12 O8 -","2","1","","Xu, Hu; Jiang, Xiong-Jie; Chan, Elaine Y. M.; Fong, Wing-Ping; Ng, Dennis K. P.","Synthesis, photophysical properties and in vitro photodynamic activity of axially substituted subphthalocyanines.","Organic & biomolecular chemistry","2007","5","24","3987","3992","10.1039/b712788j","","","0.71073","MoKα","","0.0875","0.068","","","0.187","0.2073","","","","","","1.02","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151190","11.4449","0.0002","11.8","0.0002","14.6478","0.0002","71.901","0.0006","67.6483","0.0007","76.207","0.0008","1722.68","0.05","190","","190","","","","","","","","","5","P 1","P 1","1","","","","- C36 H51 N O3 Si -","- C36 H51 N O3 Si -","- C72 H102 N2 O6 Si2 -","2","2","","Cailleau, Thaïs; Cooke, Jason W. B.; Davies, Stephen G.; Ling, Kenneth B.; Naylor, Alan; Nicholson, Rebecca L.; Price, Paul D.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Asymmetric synthesis of beta-amino-gamma-substituted-gamma-butyrolactones: double diastereoselective conjugate addition of homochiral lithium amides to homochiral alpha,beta-unsaturated esters.","Organic & biomolecular chemistry","2007","5","24","3922","3931","10.1039/b712937h","","","0.71073","MoKα","","0.0847","0.0668","","0.103","0.0822","0.0822","","","","","","1.1046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151191","9.593","0.0011","10.5494","0.0013","13.618","0.002","76.415","0.002","85.266","0.002","81.798","0.002","1324.2","0.3","301","1","","","","","","","","","","6","P 1","P 1","1","","","","- C27 H28 Br N2 O3 Re -","- C27 H28 Br N2 O3 Re -","- C54 H56 Br2 N4 O6 Re2 -","2","2","","Yeung, Chi-Tung; Teng, Pang-Fei; Yeung, Ho-Lun; Wong, Wing-Tak; Kwong, Hoi-Lun","Catalytic and asymmetric cyclopropanation of alkenes catalysed by rhenium(I) bipyridine and terpyridine tricarbonyl complexes.","Organic & biomolecular chemistry","2007","5","23","3859","3864","10.1039/b712995e","","","0.71073","MoKα","","","0.028","","","","0.031","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151192","7.893","0.002","14.212","0.003","28.551","0.006","90","","90","","90","","3202.7","1.3","301","1","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 Br N3 O3 Re -","- C34 H35 Br N3 O3 Re -","- C136 H140 Br4 N12 O12 Re4 -","4","1","","Yeung, Chi-Tung; Teng, Pang-Fei; Yeung, Ho-Lun; Wong, Wing-Tak; Kwong, Hoi-Lun","Catalytic and asymmetric cyclopropanation of alkenes catalysed by rhenium(I) bipyridine and terpyridine tricarbonyl complexes.","Organic & biomolecular chemistry","2007","5","23","3859","3864","10.1039/b712995e","","","0.71073","MoKα","","","0.029","","","","0.029","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151193","9.516","0.01","16.66","0.02","6.226","0.004","98.72","0.09","105.35","0.07","98.72","0.11","921.6","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 Cl O10 -","- C16 H21 Cl O10 -","- C32 H42 Cl2 O20 -","2","1","","Yamada, Takeshi; Iritani, Masashi; Ohishi, Hirohumi; Tanaka, Kayo; Minoura, Katsuhiko; Doi, Mitsunobu; Numata, Atsushi","Pericosines, antitumour metabolites from the sea hare-derived fungus Periconia byssoides. Structures and biological activities.","Organic & biomolecular chemistry","2007","5","24","3979","3986","10.1039/b713060k","","","1.54178","CuKα","","0.1701","0.103","","","0.2516","0.2954","","","","","","1.101","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151194","11.3871","0.0016","18.131","0.003","19.855","0.003","90","","90","","90","","4099.3","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N3 O3 -","- C26 H17 N3 O3 -","- C208 H136 N24 O24 -","8","1","","Manpadi, Madhuri; Uglinskii, Pavel Y.; Rastogi, Shiva K.; Cotter, Karen M.; Wong, Yin-Shan C; Anderson, Lisa A.; Ortega, Amber J.; Van Slambrouck, Severine; Steelant, Wim F. A.; Rogelj, Snezna; Tongwa, Paul; Antipin, Mikhail Yu; Magedov, Igor V.; Kornienko, Alexander","Three-component synthesis and anticancer evaluation of polycyclic indenopyridines lead to the discovery of a novel indenoheterocycle with potent apoptosis inducing properties.","Organic & biomolecular chemistry","2007","5","23","3865","3872","10.1039/b713820b","","","0.71073","MoKα","","0.0849","0.0448","","","0.0893","0.1028","","","","","","0.998","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151195","8.401","0.002","10.368","0.003","15.647","0.004","95.41","0.004","95.198","0.006","102.676","0.005","1315","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Anas, S.; John, Jubi; Sajisha, V. S.; John, Joshni; Rajan, Rani; Suresh, E.; Radhakrishnan, K. V.","Iodine assisted palladium catalyzed ring opening of bicyclic hydrazines with organoboronic acids: stereoselective synthesis of functionalized cyclopentenes and alkylidene cyclopentenes.","Organic & biomolecular chemistry","2007","5","24","4010","4019","10.1039/b714921b","","","0.71073","MoKα","","0.193","0.0724","","","0.1485","0.2136","","","","","","1.001","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151196","18.3557","0.0005","10.5375","0.0003","13.167","0.0003","90","","103.55","0.001","90","","2475.91","0.11","173","2","173","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cl6 D6 N6 -","- C18 H32 Cl6 N6 -","- C72 H128 Cl24 N24 -","4","0.5","","Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.","Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.","Organic & biomolecular chemistry","2007","5","24","3909","3911","10.1039/b715209d","","x-ray","0.71073","MoKα","","0.0452","0.0414","","","0.115","0.1186","","","","","","1.031","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151197","11.1882","0.0002","14.384","0.0003","16.3407","0.0003","90","","104.766","0.001","90","","2542.88","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 B2 N6 -","- C64 H68 B2 N6 -","- C128 H136 B4 N12 -","2","0.5","","Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.","Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.","Organic & biomolecular chemistry","2007","5","24","3909","3911","10.1039/b715209d","","x-ray","0.71073","MoKα","","0.0721","0.0578","","","0.1451","0.1547","","","","","","1.027","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151198","18.824","0.0006","13.0677","0.0002","26.2401","0.0007","90","","105.854","0.001","90","","6209.2","0.3","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C77 H80 B2 N6 -","- C77 H80 B2 N6 -","- C308 H320 B8 N24 -","4","1","","Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.","Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.","Organic & biomolecular chemistry","2007","5","24","3909","3911","10.1039/b715209d","","x-ray","0.71073","MoKα","","0.0732","0.0564","","","0.1352","0.1483","","","","","","1.005","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7151199","8.689","0.0005","8.689","0.0005","17.1794","0.0007","90","","90","","120","","1123.25","0.1","173","2","173","2","","","","","","","synthesis as described","3","P 31 2 1","P 31 2""","152","","","","- C15 H26 N6 -","- C15 H26 N6 -","- C45 H78 N18 -","3","0.5","","Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.","Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.","Organic & biomolecular chemistry","2007","5","24","3909","3911","10.1039/b715209d","","x-ray","0.71073","MoKα","","0.0401","0.0339","","","0.0821","0.0856","","","","","","1.081","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151200","7.8387","0.0015","11.645","0.002","15.4763","0.0018","90","","90","","90","","1412.7","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 F2 O2 S -","- C16 H14 F2 O2 S -","- C64 H56 F8 O8 S4 -","4","1","","Wyatt, Paul; Hudson, Andrew; Charmant, Jonathan; Orpen, A. Guy; Phetmung, Hirihattaya","Synthesis and chemistry of enantiomerically pure 10,11-dihydrodibenzo[b,f]thiepines.","Organic & biomolecular chemistry","2006","4","11","2218","2232","10.1039/b516606c","","","0.71073","MoKα","","0.0295","0.0264","","","0.0644","0.0667","","","","","","1.092","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151201","7.986","0.003","8.7928","0.0016","11.254","0.003","89.389","0.019","82.07","0.02","67.49","0.02","722.3","0.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H14 F2 O3 S -","- C16 H14 F2 O3 S -","- C32 H28 F4 O6 S2 -","2","2","","Wyatt, Paul; Hudson, Andrew; Charmant, Jonathan; Orpen, A. Guy; Phetmung, Hirihattaya","Synthesis and chemistry of enantiomerically pure 10,11-dihydrodibenzo[b,f]thiepines.","Organic & biomolecular chemistry","2006","4","11","2218","2232","10.1039/b516606c","","","0.71073","MoKα","","0.054","0.0432","","","0.0912","0.0999","","","","","","1.114","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151202","14.883","0.004","7.83","0.002","20.587","0.006","90","","90","","90","","2399.1","1.1","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)","6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)","","- C30 H32 N2 -","- C30 H32 N2 -","- C120 H128 N8 -","4","0.5","","Setsune, Jun-ichiro; Tanabe, Aya; Watanabe, Junko; Maeda, Satoshi","Synthesis of bis(azafulvene)s by dehydration of hydroxymethylpyrrole derivatives.","Organic & biomolecular chemistry","2006","4","11","2247","2252","10.1039/b518340e","","","0.71073","MoKα","","0.0793","0.041","","","0.0978","0.1167","","","","","","1.01","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151203","17.135","0.003","38.228","0.008","6.1877","0.0012","90","","90","","90","","4053.2","1.4","295","2","295","2","","","","","","","","3","F d d 2","F 2 -2d","43","6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane","6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane","","- C25 H22 N2 -","- C25 H22 N2 -","- C200 H176 N16 -","8","0.5","","Setsune, Jun-ichiro; Tanabe, Aya; Watanabe, Junko; Maeda, Satoshi","Synthesis of bis(azafulvene)s by dehydration of hydroxymethylpyrrole derivatives.","Organic & biomolecular chemistry","2006","4","11","2247","2252","10.1039/b518340e","","","0.71073","MoKα","","0.075","0.0393","","","0.0894","0.105","","","","","","1.009","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151204","5.644","0.0001","8.477","0.0002","25.121","0.0005","90","","90","","90","","1201.89","0.04","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Mitchell, Claire E. T.; Brenner, Stacey E.; García-Fortanet, Jorge; Ley, Steven V.","An efficient, asymmetric organocatalyst-mediated conjugate addition of nitroalkanes to unsaturated cyclic and acyclic ketones.","Organic & biomolecular chemistry","2006","4","10","2039","2049","10.1039/b601877g","","","0.71073","MoKα","","0.0341","0.0312","","","0.0752","0.077","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151205","13.8204","0.0002","13.9878","0.0003","16.6312","0.0003","90.697","0.001","91.861","0.001","109.789","0.001","3022.72","0.1","113","2","113","2","","","","","","","","3","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(acetone) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(acetone) clathrate","","- C74 H68 O8 -","- C74 H68 O8 -","- C148 H136 O16 -","2","1","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1056","0.0501","","","0.1003","0.1166","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151206","8.6664","0.0002","12.6143","0.0002","13.1928","0.0003","99.167","0.001","105.288","0.001","99.795","0.001","1338.93","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.2(1,4-dioxane) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.2(1,4-dioxane) clathrate","","- C70 H60 O8 -","- C70 H60 O8 -","- C70 H60 O8 -","1","0.5","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.0634","0.0416","","","0.0946","0.1034","","","","","","1.052","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151207","9.2037","0.0003","12.8577","0.0004","14.3892","0.0005","81.503","0.001","82.891","0.001","79.766","0.001","1648.97","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(1,4-dioxane) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(1,4-dioxane) clathrate","","- C78 H76 O12 -","- C78 H68 O12 -","- C78 H68 O12 -","1","0.5","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1297","0.0576","","","0.1449","0.1704","","","","","","1.05","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151208","9.0698","0.0003","13.7712","0.0004","13.9901","0.0005","71.818","0.001","71.441","0.001","73.849","0.001","1542.47","0.09","113","2","113","2","","","","","","","","4","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(dimethyl sulphoxide) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(dimethyl sulphoxide) clathrate","","- C70 H68 O8 S4 -","- C70 H68 O8 S4 -","- C70 H68 O8 S4 -","1","0.5","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1013","0.0514","","","0.1028","0.1187","","","","","","1.019","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151209","14.0976","0.0002","16.7074","0.0002","17.3826","0.0003","63.05","0.001","87.506","0.001","70.95","0.001","3423.12","0.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.5(pyridine) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.5(pyridine) clathrate","","- C87 H69 N5 O4 -","- C87 H64 N5 O4 -","- C174 H128 N10 O8 -","2","1","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1343","0.0651","","","0.1549","0.1811","","","","","","1.053","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151210","7.5822","0.0015","10.3689","0.0013","13.0588","0.0009","90.275","0.009","101.461","0.011","100.074","0.013","989.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C46 H40 N4 O10 -","2","1","","Heaney, Frances; Lawless, Elaine; Mahon, Mary; McArdle, Patrick; Cunningham, Desmond","1,3-Dipolar character of 2-vinyl quinazoline 3-oxides; first and second generation cycloaddition products.","Organic & biomolecular chemistry","2006","4","12","2408","2416","10.1039/b602423h","","","0.71069","MoKα","","0.0512","0.0451","","","0.1147","0.1202","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151211","7.443","0.001","10.892","0.002","19.212","0.003","82.95","0.02","81.14","0.02","88.01","0.02","1527.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","2","","Heaney, Frances; Lawless, Elaine; Mahon, Mary; McArdle, Patrick; Cunningham, Desmond","1,3-Dipolar character of 2-vinyl quinazoline 3-oxides; first and second generation cycloaddition products.","Organic & biomolecular chemistry","2006","4","12","2408","2416","10.1039/b602423h","","","0.71069","MoKα","","0.0947","0.041","","","0.119","0.1417","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151212","7.492","0.0001","9.045","0.0002","13.563","0.0004","73.159","0.001","73.945","0.001","70.568","0.001","812.88","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Heaney, Frances; Lawless, Elaine; Mahon, Mary; McArdle, Patrick; Cunningham, Desmond","1,3-Dipolar character of 2-vinyl quinazoline 3-oxides; first and second generation cycloaddition products.","Organic & biomolecular chemistry","2006","4","12","2408","2416","10.1039/b602423h","","","0.71073","MoKα","","0.0488","0.0381","","","0.0922","0.0982","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151213","9.4567","0.0002","10.5163","0.0002","10.6619","0.0002","78.9","0.001","89.899","0.001","66.981","0.001","954.46","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Br F N2 O2 -","- C22 H22 Br F N2 O2 -","- C44 H44 Br2 F2 N4 O4 -","2","1","","Schweizer, Eliane; Hoffmann-Röder, Anja; Olsen, Jacob A.; Seiler, Paul; Obst-Sander, Ulrike; Wagner, Björn; Kansy, Manfred; Banner, David W.; Diederich, François","Multipolar interactions in the D pocket of thrombin: large differences between tricyclic imide and lactam inhibitors.","Organic & biomolecular chemistry","2006","4","12","2364","2375","10.1039/b602585d","","","0.7107","MoKα","","0.0342","0.0289","","","0.0637","0.0666","","","","","","1.033","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151214","9.077","0.0008","10.333","0.0009","10.925","0.0009","95.455","0.001","101.496","0.001","106.2","0.001","951.82","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 I2 N O -","- C20 H15 I2 N O -","- C40 H30 I4 N2 O2 -","2","1","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71073","MoKα","","0.0188","0.0173","","","0.043","0.0438","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151215","17.213","0.001","14.912","0.0008","15.658","0.0009","90","","90","","90","","4019.1","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H14 I3 N O -","- C20 H14 I3 N O -","- C160 H112 I24 N8 O8 -","8","1","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71073","MoKα","","0.0255","0.0237","","","0.0603","0.0612","","","","","","1.138","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151216","7.984","0.005","24.878","0.005","12.52","0.005","90","0.005","98.498","0.005","90","0.005","2459.5","1.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl2 I2 N2 O2 -","- C23 H20 Cl2 I2 N2 O2 -","- C92 H80 Cl8 I8 N8 O8 -","4","2","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71069","MoKα","","0.0411","0.0397","","","0.0977","0.0987","","","","","","1.055","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151217","8.1371","0.0001","9.7341","0.0001","26.6319","0.0004","90","","90","","90","","2109.44","0.05","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 S2 -","- C21 H30 O4 S2 -","- C84 H120 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0438","0.0338","","","0.0778","0.0821","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151218","8.1836","0.0001","11.8557","0.0002","21.3327","0.0004","90","","90","","90","","2069.75","0.06","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 S2 -","- C21 H30 O4 S2 -","- C84 H120 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0372","0.0344","","","0.0893","0.0916","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151219","13.4354","0.0004","16.5257","0.0006","9.9835","0.0003","90","","90","","90","","2216.63","0.12","180","2","180","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H29 Br O4 S2 -","- C21 H29 Br O4 S2 -","- C84 H116 Br4 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0601","0.0522","","","0.1395","0.1457","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151220","5.5259","0.0004","10.0212","0.0007","34.6","0.002","90","","90","","90","","1916","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Derived Allylic Alcohols","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Markad, Shankar D.; Karanjule, Narayan S.; Sharma, Tarun; Sabharwal, Sushma G.; Puranik, Vedavati G.; Dhavale, Dilip D.","Synthesis of tetrahydroxy perhydroaza-azulenes: tandem Johnson-Claisen rearrangement of D-glucose-derived allylic alcohols.","Organic & biomolecular chemistry","2006","4","13","2549","2555","10.1039/b603545k","","","0.71073","MoKα","","0.0694","0.0622","","","0.1473","0.1516","","","","","","1.178","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151221","14.371","0.002","9.5023","0.001","21.501","0.003","90","","103.55","0.05","90","","2854.4","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H88 N2 O10 Si -","- C50 H88 N2 O10 Si -","- C100 H176 N4 O20 Si2 -","2","1","","Bauder, Claude; Biard, Jean-François; Solladié, Guy","Synthesis of derivatives of potent antitumor bistramides D and A leading to the first crystal structure of natural bistramide D.","Organic & biomolecular chemistry","2006","4","10","1860","1862","10.1039/b603767d","","","0.71073","MoKα","","0.1821","0.0812","","","0.1648","0.2129","","","","","","0.985","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151222","13.5591","0.0016","9.7766","0.0012","27.715","0.003","90","","97.819","0.002","90","","3639.8","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H42 Cl2 O6 -","- C47 H42 Cl2 O6 -","- C188 H168 Cl8 O24 -","4","0.5","","Adams, Harry; Jones, Simon; Ojea-Jimenez, Isaac","Highly diastereoselective Diels-Alder cycloadditions of 9R-(1-methoxyethyl)anthracene with p-benzoquinone.","Organic & biomolecular chemistry","2006","4","11","2296","2303","10.1039/b603819k","","","0.71073","MoKα","","0.0831","0.048","","","0.1064","0.1205","","","","","","1.042","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151223","16.221","0.008","7.386","0.004","28.003","0.013","90","","104.388","0.008","90","","3250","3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","","Adams, Harry; Jones, Simon; Ojea-Jimenez, Isaac","Highly diastereoselective Diels-Alder cycloadditions of 9R-(1-methoxyethyl)anthracene with p-benzoquinone.","Organic & biomolecular chemistry","2006","4","11","2296","2303","10.1039/b603819k","","","0.71073","MoKα","","0.0958","0.0521","","","0.1266","0.1513","","","","","","1.025","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151224","9.7734","0.0011","13.3223","0.0016","20.38","0.002","90","","90","","90","","2653.6","0.5","150","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Cl2 N O5 S -","- C23 H33 Cl2 N O5 S -","- C92 H132 Cl8 N4 O20 S4 -","4","1","","Besong, Gilbert; Jarowicki, Krzysztof; Kocienski, Philip J.; Sliwinski, Eric; Boyle, F. Thomas","Synthesis of (S)-(-)-N-acetylcolchinol using intramolecular biaryl oxidative coupling.","Organic & biomolecular chemistry","2006","4","11","2193","2207","10.1039/b603857c","","","0.71073","MoKα","","0.0744","0.0545","","","0.1448","0.1601","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151225","13.3627","0.0003","15.6068","0.0003","27.3395","0.0007","90","","90","","90","","5701.6","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H44 B N O8 -","- C25 H44 B N O8 -","- C200 H352 B8 N8 O64 -","8","2","","Besong, Gilbert; Jarowicki, Krzysztof; Kocienski, Philip J.; Sliwinski, Eric; Boyle, F. Thomas","Synthesis of (S)-(-)-N-acetylcolchinol using intramolecular biaryl oxidative coupling.","Organic & biomolecular chemistry","2006","4","11","2193","2207","10.1039/b603857c","","x-ray","0.71073","MoKα","","0.0644","0.0437","","","0.093","0.1028","","","","","","1.053","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151226","8.9131","0.0009","5.0982","0.0005","18.2642","0.0017","90","","102.311","0.002","90","","810.85","0.14","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-iodophenyl carbamate of 4-phenylbut-3-ene-2-ol","","- C17 H16 I N O2 -","- C17 H16 I N O2 -","- C34 H32 I2 N2 O4 -","2","1","","Clarkson, Guy; Livingston, Andrew G.; Muir, Jennifer C.; Taylor, Paul C.","The absolute configuration of (+)-(E)-4-phenylbut-3-ene-2-ol.","Organic & biomolecular chemistry","2006","4","11","2081","","10.1039/b603934k","","","0.71073","MoKα","","0.0645","0.0524","","","0.1195","0.1258","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151227","27.55","0.02","10.928","0.008","23.154","0.009","90","","90.42","0.05","90","","6971","8","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42.67 H48.67 Cl2.67 N4 O9.67 S2 -","- C42.6667 H42.6667 Cl2.66667 N4 O9.66667 S2 -","- C256 H256 Cl16 N24 O58 S12 -","6","1.5","","Srimurugan, Sankareswaran; Viswanathan, Balasubramanian; Varadarajan, Thirukallam Kanthadai; Varghese, Babu","Synthesis and crystal structure of [2 + 2] calixsalens.","Organic & biomolecular chemistry","2006","4","16","3044","3047","10.1039/b604003a","","","0.71073","MoKα","","0.1477","0.0872","","","0.2237","0.2484","","","","","","0.954","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151228","10.0407","0.0013","15.0369","0.0016","22.816","0.003","90","","90","","90","","3444.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 N4 O4 -","- C40 H40 N4 O4 -","- C160 H160 N16 O16 -","4","1","","Srimurugan, Sankareswaran; Viswanathan, Balasubramanian; Varadarajan, Thirukallam Kanthadai; Varghese, Babu","Synthesis and crystal structure of [2 + 2] calixsalens.","Organic & biomolecular chemistry","2006","4","16","3044","3047","10.1039/b604003a","","","1.5418","CuKα","","0.0433","0.0349","","","0.0945","0.1005","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151229","15.484","0.006","12.017","0.005","19.604","0.008","90","","105.509","0.006","90","","3515","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 I3 N4 Se2 -","- C8 H11 I3 N4 Se2 -","- C64 H88 I24 N32 Se16 -","8","2","","Roy, Gouriprasanna; Nethaji, Munirathinam; Mugesh, G.","Interaction of anti-thyroid drugs with iodine: the isolation of two unusual ionic compounds derived from Se-methimazole.","Organic & biomolecular chemistry","2006","4","15","2883","2887","10.1039/b604060h","","","0.71073","MoKα","","0.049","0.0355","","","0.0851","0.0934","","","","","","1.019","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151230","6.6979","0.0014","10.374","0.002","12.158","0.003","68.916","0.003","82.135","0.003","78.816","0.003","771.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 I2 N4 Se2 -","- C8 H12 I2 N4 Se2 -","- C16 H24 I4 N8 Se4 -","2","1","","Roy, Gouriprasanna; Nethaji, Munirathinam; Mugesh, G.","Interaction of anti-thyroid drugs with iodine: the isolation of two unusual ionic compounds derived from Se-methimazole.","Organic & biomolecular chemistry","2006","4","15","2883","2887","10.1039/b604060h","","","0.71073","MoKα","","0.0261","0.0229","","","0.0564","0.0576","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151231","5.9454","0.0002","8.1078","0.0003","18.0676","0.0006","90","","90","","90","","870.93","0.05","190","","190","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0317","0.028","","0.0361","0.0326","0.0326","","","","","","1.0885","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151232","9.2401","0.0001","10.581","0.0001","46.9695","0.0005","90","","90","","90","","4592.18","0.08","100","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C192 H240 N16 O32 -","16","4","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0896","0.0667","","0.0607","0.0478","0.0478","","","","","","1.0322","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151233","17.9151","0.0005","9.5994","0.0003","12.1722","0.0004","90","","119.664","0.0013","90","","1818.96","0.1","190","","190","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C76 H108 N4 O16 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0424","0.0324","","0.0465","0.0365","0.0365","","","","","","1.1371","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151234","8.8735","0.0002","9.7635","0.0003","11.248","0.0003","89.749","0.002","79.982","0.002","64.9723","0.0011","866.9","0.04","190","","190","","","","","","","","","4","P 1","P 1","1","","","","- C16 H29 N O4 -","- C16 H29 N O4 -","- C32 H58 N2 O8 -","2","2","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0497","0.0369","","0.0482","0.038","0.038","","","","","","1.1334","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151235","8.3002","0.0002","33.6715","0.0004","10.531","0.0002","90","","90.6345","0.0005","90","","2943.03","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C33 H37 N O6 -","- C33 H37 N O6 -","- C132 H148 N4 O24 -","4","2","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: synthesis by enamine reduction and subsequent regioselective and diastereoselective alkylations.","Organic & biomolecular chemistry","2006","4","13","2600","2615","10.1039/b604183c","","","0.71073","MoKα","","0.0753","0.0521","","0.0561","0.0531","0.0531","","","","","","1.0425","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151236","8.8317","0.0005","10.1281","0.0005","12.024","0.0007","90","","103.017","0.002","90","","1047.89","0.1","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O7 -","- C21 H25 N O7 -","- C42 H50 N2 O14 -","2","1","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: synthesis by enamine reduction and subsequent regioselective and diastereoselective alkylations.","Organic & biomolecular chemistry","2006","4","13","2600","2615","10.1039/b604183c","","","0.71073","MoKα","","","0.0331","","","","0.0365","","","","","","1.0672","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151237","13.8821","0.0003","4.5502","0.0002","14.6589","0.0004","90","","109.809","0.0017","90","","871.16","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O7 S -","- C16 H18 N2 O7 S -","- C32 H36 N4 O14 S2 -","2","1","","Pedras, M Soledade C; Hossain, Mohammad","Metabolism of crucifer phytoalexins in Sclerotinia sclerotiorum: detoxification of strongly antifungal compounds involves glucosylation.","Organic & biomolecular chemistry","2006","4","13","2581","2590","10.1039/b604400j","","","0.71073","MoKα","","0.0559","0.0471","","","0.1037","0.109","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151238","26.338","0.013","9.477","0.005","32.834","0.015","90","","97.759","0.006","90","","8121","7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H30 I2 N2 O2 -","- C20 H30 I2 N2 O2 -","- C280 H420 I28 N28 O28 -","14","3.5","","Song, Yang; Tian, Tian; Wang, Ping; He, Hanping; Liu, Wulue; Zhou, Xiang; Cao, Xiaoping; Zhang, Xiao-Lian; Zhou, Xin","Phenol quaternary ammonium derivatives: charge and linker effect on their DNA photo-inducible cross-linking abilities.","Organic & biomolecular chemistry","2006","4","17","3358","3366","10.1039/b604552a","","","0.71073","MoKα","","0.093","0.0568","","","0.1393","0.1598","","","","","","1.044","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151239","9.7318","0.0013","18.078","0.002","20.751","0.003","90","","90","","90","","3650.8","0.8","396","2","396","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","6-Bn","","","- C36 H40 Br Cl4 N3 O2 -","- C36 H40 Br Cl4 N3 O2 -","- C144 H160 Br4 Cl16 N12 O8 -","4","1","","Dálaigh, Ciarán O; Hynes, Stephen J.; O'Brien, John E; McCabe, Thomas; Maher, Declan J.; Watson, Graeme W.; Connon, Stephen J.","Asymmetric acyl-transfer promoted by readily assembled chiral 4-N,N-dialkylaminopyridine derivatives.","Organic & biomolecular chemistry","2006","4","14","2785","2793","10.1039/b604632k","","","0.71073","MoKα","","0.0885","0.0777","","","0.1786","0.184","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151240","10.7431","0.0008","13.5397","0.001","19.375","0.0015","101.138","0.002","97.455","0.002","96.572","0.002","2713.5","0.4","130","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl N O4 -","- C20 H18 Cl N O4 -","- C120 H108 Cl6 N6 O24 -","6","3","","Smith, Jason A.; Ng, Sarah; White, Jonathon","The regioselective synthesis of aryl pyrroles.","Organic & biomolecular chemistry","2006","4","12","2477","2482","10.1039/b604692d","","","0.71073","MoKα","","0.1483","0.051","","","0.0613","0.0793","","","","","","0.591","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151241","8.6","0.0006","10.087","0.0012","10.843","0.0009","67.342","0.008","89.563","0.006","89.466","0.008","867.97","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N3 O7 -","- C14 H19 N3 O7 -","- C28 H38 N6 O14 -","2","1","","Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Highly efficient hydrazination of conjugated nitroalkenes via imidazole or DMAP mediated Morita-Baylis-Hillman reaction.","Organic & biomolecular chemistry","2006","4","13","2525","2528","10.1039/b604899d","","","0.71073","MoKα","","0.1194","0.0495","","","0.1233","0.1468","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151242","8.1928","0.001","7.4438","0.0009","26.234","0.003","90","","96.98","0.01","90","","1588","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-endo,6-endo-bis(3',4'-methylenedioxyphenyl) -3,7-dioxa- bicyclo(3.3.0)octane","2-endo,6-endo-bis(3',4'-methylenedioxyphenyl) -3,7-dioxa-bicyclo[3.3.0]octane","","- C20 H18 O6 -","- C20 H18 O6 -","- C80 H72 O24 -","4","1","","Aldous, David J.; Batsanov, Andrei S.; Yufit, Dmitrii S.; Dalençon, Anne J; Dutton, William M.; Steel, Patrick G.","The dihydrofuran template approach to furofuran synthesis.","Organic & biomolecular chemistry","2006","4","15","2912","2927","10.1039/b604952d","","","0.71073","MoKα","","0.054","0.0449","","","0.1117","0.1181","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151243","5.8932","0.0004","9.2189","0.0007","16.1992","0.0013","87.502","0.003","89.201","0.003","77.553","0.003","858.57","0.11","110","2","110","0.2","","","","","","","","5","P -1","-P 1","2","N-toluenesulfonyl-3-methoxycarbonyl-2-phenyl-3-pyrroline","N-toluenesulfonyl-3-methoxycarbonyl-2-phenyl-3-pyrroline","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C38 H38 N2 O8 S2 -","2","1","","Aldous, David J.; Batsanov, Andrei S.; Yufit, Dmitrii S.; Dalençon, Anne J; Dutton, William M.; Steel, Patrick G.","The dihydrofuran template approach to furofuran synthesis.","Organic & biomolecular chemistry","2006","4","15","2912","2927","10.1039/b604952d","","","0.71073","MoKα","","0.1066","0.0573","","","0.1204","0.1355","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151244","7.69","0.05","9.26","0.05","17.15","0.05","90","","90","","90","","1221","11","298","","","","","","","","","","K. Okuma","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 S -","- C13 H18 O2 S -","- C52 H72 O8 S4 -","4","1","","Okuma, Kentaro; Koda, Masahiro; Maekawa, Shinobu; Shioji, Kosei; Inoue, Tohru; Kurisaki, Tsutomu; Wakita, Hisanobu; Yokomori, Yoshinobu","Reaction of thioketones with propiolic acids.","Organic & biomolecular chemistry","2006","4","14","2745","2752","10.1039/b605068a","","","0.71069","MoKα","","0.0781","0.0485","","","0.1291","0.1502","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151245","6.9391","0.0002","8.0963","0.0003","15.5077","0.0005","90","","101.182","0.003","90","","854.7","0.05","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C34 H54 N2 O6 -","2","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0612","0.0511","","0.0674","0.0612","0.0612","","","","","","0.9657","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151246","7.2402","0.0001","11.8197","0.0002","18.467","0.0005","90","","90","","90","","1580.35","0.05","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0387","0.0318","","0.0446","0.0396","0.0396","","","","","","1.0818","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151247","6.5167","0.0001","7.9303","0.0002","15.8324","0.0004","90","","92.8893","0.0009","90","","817.17","0.03","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C34 H46 N2 O6 -","2","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0348","0.0308","","0.0384","0.0328","0.0328","","","","","","1.1366","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151248","10.559","0.002","9.6567","0.0019","11.052","0.002","90","","112.47","0.03","90","","1041.4","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C50 H52 N4 O4 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.0507","0.0373","","","0.0836","0.0897","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151249","5.8566","0.0004","22.8548","0.0018","9.1424","0.0007","90","","92.913","0.006","90","","1222.14","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C56 H68 N4 O6 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.0842","0.05","","","0.0957","0.1075","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151250","5.3447","0.0011","10.854","0.002","14.722","0.003","81.91","0.03","87.82","0.03","88.8","0.03","844.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.1507","0.0566","","","0.1034","0.1318","","","","","","0.944","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151251","11.448","0.002","11.905","0.002","15.067","0.003","86.5","0.03","87.96","0.03","77.45","0.03","2000.1","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","2","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.2781","0.0682","","","0.1036","0.1613","","","","","","0.867","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151252","13.111","0.003","10.123","0.002","14.928","0.003","90","","90","","90","","1981.3","0.7","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","furan recepter","","","- C24 H18 N6 O -","- C24 H18 N6 O -","- C96 H72 N24 O4 -","4","0.5","","Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie","Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance.","Organic & biomolecular chemistry","2006","4","19","3652","3663","10.1039/b605658j","","","0.71073","MoKα","","0.0844","0.0682","","","0.1854","0.1946","","","","","","1.128","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151253","15.28","0.003","22.54","0.005","10.51","0.002","90","","90","0.03","90","","3619.8","1.3","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Cl3 N6 O -","- C36 H41 Cl3 N6 O -","- C144 H164 Cl12 N24 O4 -","4","1","","Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie","Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance.","Organic & biomolecular chemistry","2006","4","19","3652","3663","10.1039/b605658j","","","0.71073","MoKα","","0.1183","0.0688","","0.1935","0.1652","","","","1.04","1.11","1.11","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151254","10.289","0.0001","20.1092","0.0002","7.4282","0.0004","90","","90","","90","","1536.92","0.09","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H26 N2 O6 -","- C13 H26 N2 O6 -","- C52 H104 N8 O24 -","4","1","","Maxwell, Vanessa L.; Evinson, Emma L.; Emmerson, Daniel P. G.; Jenkins, Paul R.","Synthesis, glycosidase activity and X-ray crystallography of 3-amino-sugars.","Organic & biomolecular chemistry","2006","4","14","2724","2732","10.1039/b605916c","","","0.71073","MoKα","","0.0346","0.0324","","","0.0775","0.0792","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151255","9.8736","0.0013","6.0745","0.0008","11.7121","0.0016","90","","111.941","0.002","90","","651.58","0.15","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C24 H38 N2 O12 -","2","1","","Maxwell, Vanessa L.; Evinson, Emma L.; Emmerson, Daniel P. G.; Jenkins, Paul R.","Synthesis, glycosidase activity and X-ray crystallography of 3-amino-sugars.","Organic & biomolecular chemistry","2006","4","14","2724","2732","10.1039/b605916c","","","0.71073","MoKα","","0.0365","0.035","","","0.0783","0.0792","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151256","7.3722","0.0006","25.899","0.002","26.76","0.002","90","","90","","90","","5109.4","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4-Dicarbomethoxy-2,5-di-(4Â-acetoxy-3Â'-methoxy phenyl)-2,3,4,5- tetrahydrofuran","","- C26 H28 O11 -","- C26 H28 O11 -","- C208 H224 O88 -","8","1","","Schatz, Paul F.; Ralph, John; Lu, Fachuang; Guzei, Ilia A.; Bunzel, Mirko","Synthesis and identification of 2,5-bis-(4-hydroxy-3-methoxyphenyl)-tetrahydrofuran-3,4-dicarboxylic acid, an unanticipated ferulate 8-8-coupling product acylating cereal plant cell walls.","Organic & biomolecular chemistry","2006","4","14","2801","2806","10.1039/b605918j","","","0.71073","Mo-Kα","","0.0514","0.0453","","","0.122","0.128","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151257","9.499","0.002","10.601","0.003","11.958","0.003","113.345","0.003","98.08","0.003","103.188","0.003","1039.9","0.5","153","2","153","2","","","","","","","","5","P 1","P 1","1","","N-(6-ethoxy-3-hydroxy-2-(trifluoromethyl)-tetrahydro-2H-pyran-4-yl)- 2,2,2-trifluoro-N-(1-phenylethyl)acetamide","","- C18 H21 F6 N O4 -","- C18 H21 F6 N O4 -","- C36 H42 F12 N2 O8 -","2","2","","Hayman, Colin M.; Larsen, David S.; Simpson, Jim; Bailey, Karl B.; Gill, Gurmit Singh","A stereoselective synthesis of 6,6,6-trifluoro-L-daunosamine and 6,6,6-trifluoro-L-acosamine.","Organic & biomolecular chemistry","2006","4","14","2794","2800","10.1039/b606055b","","","0.71073","MoKα","","0.0361","0.0312","","","0.0779","0.08","","","","","","1.001","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151258","6.953","0.0001","7.9824","0.0002","26.3031","0.0006","90","","92.122","0.001","90","","1458.86","0.05","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-4-morpholin-4- yl-pyridinium chloride","1-(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-4-morpholin-4-yl- pyridinium chloride","","- C13 H17 Cl N4 O4 -","- C13 H17 Cl N4 O4 -","- C52 H68 Cl4 N16 O16 -","4","1","","Schmidt, Andreas; Lindner, Anika; Nieger, Martin; Ruiz-Delgado, Maria del Carmen; Ramirez, Francisco Javier","Syntheses, pi-stacking interactions and base-pairings of uracil pyridinium salts and uracilyl betaines with nucleobases.","Organic & biomolecular chemistry","2006","4","16","3056","3066","10.1039/b606249k","","","0.71073","MoKα","","0.0355","0.0296","","","0.0793","0.082","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151259","13.4485","0.0012","6.4673","0.0006","9.3711","0.0006","90","","90","","90","","815.06","0.12","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","adeninediium dichloride","adeninediium dichloride","","- C5 H7 Cl2 N5 -","- C5 H7 Cl2 N5 -","- C20 H28 Cl8 N20 -","4","0.5","","Schmidt, Andreas; Lindner, Anika; Nieger, Martin; Ruiz-Delgado, Maria del Carmen; Ramirez, Francisco Javier","Syntheses, pi-stacking interactions and base-pairings of uracil pyridinium salts and uracilyl betaines with nucleobases.","Organic & biomolecular chemistry","2006","4","16","3056","3066","10.1039/b606249k","","","0.71073","MoKα","","0.0318","0.0265","","","0.0702","0.0717","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151260","11.2621","0.0011","5.2062","0.0005","14.3092","0.0014","90","","109.094","0.005","90","","792.83","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O -","- C17 H25 N O -","- C34 H50 N2 O2 -","2","1","","Cooksey, John P.; Kocienski, Philip J.; Li, Ying-fa; Schunk, Stefan; Snaddon, Thomas N.","Synthesis of the C1-C16 fragment of ionomycin using a neutral (eta3-allyl)iron complex.","Organic & biomolecular chemistry","2006","4","17","3325","3336","10.1039/b606262h","","","0.71073","MoKα","","0.0338","0.0319","","","0.0797","0.0818","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151261","8.7353","0.0007","9.81","0.0008","18.0556","0.0014","90","","90","","90","","1547.2","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05315","","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","1","","Zhang, Xuejun; Hsung, Richard P.; You, Lingfeng","Tandem azidination- and hydroazidination-Huisgen [3 + 2] cycloadditions of ynamides. Synthesis of chiral amide-substituted triazoles.","Organic & biomolecular chemistry","2006","4","14","2679","2682","10.1039/b606680a","","","0.71073","MoKα","","0.0423","0.0332","","","0.0768","0.0837","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151262","10.634","0.0003","12.144","0.0004","15.956","0.0008","90","","108.102","0.0014","90","","1958.56","0.13","293","2","293","2","","","","","","","synthesised by authors","5","P 1 21 1","P 2yb","4","((1S)-1-(N'-(4-Bromo-benzyl)-N'-((2S)-2-((1S)-2,2-dimethyl-1- methylcarbamoyl-propylcarbamoyl)-2-hydroxy-3-phenyl-propyl) - hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester ethanol solvate","","","- C34 H52 Br N5 O7 -","- C34 H52 Br N5 O7 -","- C68 H104 Br2 N10 O14 -","2","1","","Ekegren, Jenny K.; Gising, Johan; Wallberg, Hans; Larhed, Mats; Samuelsson, Bertil; Hallberg, Anders","Variations of the P2 group in HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold.","Organic & biomolecular chemistry","2006","4","16","3040","3043","10.1039/b606859f","","","0.71073","MoKα","","0.1755","0.083","","","0.1804","0.2307","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151263","11.1634","0.0001","11.1634","0.0001","33.8352","0.0005","90","","90","","120","","3651.68","0.07","200","2","200","2","","","","","","","","4","P 61","P 61","169","","","","- C29 H25 O3 P -","- C29 H25 O3 P -","- C174 H150 O18 P6 -","6","1","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0696","0.0582","","","0.1422","0.1514","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151264","5.9419","0.0001","14.361","0.0003","26.6529","0.0007","90","","90","","90","","2274.34","0.09","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O3 P -","- C29 H27 O3 P -","- C116 H108 O12 P4 -","4","1","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0565","0.0458","","","0.102","0.1075","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151265","8.4713","0.0003","8.5479","0.0003","17.4621","0.0006","83.267","0.002","83.693","0.002","74.518","0.002","1206.09","0.07","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H24 N3 O2 P -","- C29 H24 N3 O2 P -","- C58 H48 N6 O4 P2 -","2","2","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0967","0.0696","","","0.1647","0.186","","","","","","1.106","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151266","5.8939","0.0002","8.5144","0.0003","11.3355","0.0004","82.108","0.002","87.448","0.002","82.337","0.002","558.23","0.03","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H29 O4 P -","- C23 H29 O4 P -","- C23 H29 O4 P -","1","1","","Fox, David J.; Pedersen, Daniel Sejer; Warren, Stuart","Asymmetric synthesis of orthogonally protected trans-cyclopropane gamma-amino acids via intramolecular ring closure.","Organic & biomolecular chemistry","2006","4","16","3113","3116","10.1039/b606879k","","","0.71073","MoKα","","0.0368","0.0351","","","0.0962","0.0978","","","","","","1.14","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151267","5.8203","0.001","11.4038","0.0002","37.8022","0.0009","90","","90","","90","","2509.1","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl O4 P -","- C27 H30 Cl O4 P -","- C108 H120 Cl4 O16 P4 -","4","1","","Fox, David J.; Pedersen, Daniel Sejer; Petersen, Asger B.; Warren, Stuart","Diphenylphosphinoyl chloride as a chlorinating agent‒the selective double activation of 1,2-diols.","Organic & biomolecular chemistry","2006","4","16","3117","3119","10.1039/b606881b","","","0.71073","MoKα","","0.0602","0.0527","","","0.1271","0.1315","","","","","","1.162","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151268","12.2457","0.0002","13.6867","0.0003","22.7701","0.0005","83.977","0.001","80.763","0.001","75.344","0.001","3636.02","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N3 O3.5 S3 -","- C36 H46 N3 O3.5 S3 -","- C144 H184 N12 O14 S12 -","4","2","","Fox, David J.; Morley, Thomas J.; Warren, Stuart","Episulfonium ion-mediated cyclic peptide and triazine synthesis","Organic & Biomolecular Chemistry","2006","4","16","3120","","10.1039/b606882k","","","0.71073","MoKα","","0.1531","0.0705","","","0.167","0.2067","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151269","14.292","0.006","11.057","0.004","11.287","0.005","90","","92.09","0.007","90","","1782.5","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","","Mulholland, Nicholas P.; Pattenden, Gerald; Walters, Iain A. S.","A concise total synthesis of salinosporamide A.","Organic & biomolecular chemistry","2006","4","15","2845","2846","10.1039/b607109k","","","0.71073","MoKα","","0.0536","0.0421","","","0.111","0.123","","","","","","1.04","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151270","11.223","0.002","13.252","0.003","16.734","0.003","75.48","0.03","73.58","0.03","70.65","0.03","2218.3","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","tris{2-(N-n-butyl-benzimidazole)phenyl}-boroxin","","- C51 H51 B3 N6 O3 -","- C51 H51 B3 N6 O3 -","- C102 H102 B6 N12 O6 -","2","1","","Blatch, Alexandrea J.; Chetina, Olga V.; Howard, Judith A. K.; Patrick, Leonard G. F.; Smethurst, Christian A.; Whiting, Andrew","Synthesis and structure of bifunctional N-alkylbenzimidazole phenylboronate derivatives.","Organic & biomolecular chemistry","2006","4","17","3297","3302","10.1039/b607127a","","","0.71073","MoKα","","0.1419","0.058","","","0.107","0.1304","","","","","","0.885","","","","has coordinates,has disorder","180298","2020-10-21","18:00:00",""
"7151271","8.8738","0.0008","12.5069","0.0013","17.5191","0.0011","96.519","0.006","92.166","0.006","96.945","0.008","1915","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O5 S -","- C20 H18 N2 O5 S -","- C80 H72 N8 O20 S4 -","4","2","","Rastogi, Namrata; Mohan, Renu; Panda, Dulal; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Synthesis and anticancer activity studies of alpha-aminoalkylated conjugated nitroalkenes.","Organic & biomolecular chemistry","2006","4","17","3211","3214","10.1039/b607537a","","","0.71073","MoKα","","0.1953","0.0601","","","0.1154","0.1476","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151272","14.2234","0.0007","8.9069","0.0005","21.5226","0.0013","90","","90.89","0.002","90","","2726.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H33 F6 N3 O2 -","- C26 H33 F6 N3 O2 -","- C104 H132 F24 N12 O8 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.212","0.0753","","","0.1107","0.1431","","","","","","1.009","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151273","9.384","0.001","9.969","0.001","12.623","0.001","81.56","0.01","89.69","0.01","71.13","0.01","1104.2","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H25 F6 N3 O -","- C21 H25 F6 N3 O -","- C42 H50 F12 N6 O2 -","2","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1332","0.0672","","","0.1491","0.176","","","","","","1.003","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151274","10.0545","0.0008","15.0943","0.0013","21.3967","0.0015","90","","90","","90","","3247.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 F12 N4 O3 -","- C29 H32 F12 N4 O3 -","- C116 H128 F48 N16 O12 -","4","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1547","0.048","","","0.0907","0.1156","","","","","","0.879","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151275","10.5778","0.0009","18.5187","0.0016","11.1532","0.0013","90","","100.724","0.003","90","","2146.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 F6 N3 O -","- C20 H21 F6 N3 O -","- C80 H84 F24 N12 O4 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.153","0.0629","","","0.1156","0.1434","","","","","","1.01","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151276","8.1767","0.0006","22.874","0.002","10.1933","0.0006","90","","108.158","0.003","90","","1811.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48 N10 O12 -","- C31 H46 N10 O12 -","- C62 H92 N20 O24 -","2","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0883","0.059","","","0.1565","0.1739","","","","","","0.977","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151277","11.8168","0.0003","16.6626","0.0006","18.2008","0.0005","90","","90","","90","","3583.71","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N3 O -","- C18 H29 N3 O -","- C144 H232 N24 O8 -","8","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1234","0.0515","","","0.0843","0.1019","","","","","","0.988","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151278","11.5762","0.0004","12.734","0.0004","16.3923","0.0006","90","","90","","90","","2416.41","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N3 S -","- C10 H21 N3 S -","- C80 H168 N24 S8 -","8","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0535","0.035","","","0.0655","0.0696","","","","","","0.963","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151279","8.7335","0.0002","22.165","0.0006","9.9252","0.0003","90","","101.774","0.001","90","","1880.88","0.09","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O -","- C17 H27 N3 O -","- C68 H108 N12 O4 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0626","0.0391","","","0.0821","0.0908","","","","","","0.956","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151280","9.1661","0.0004","11.3191","0.0006","15.5757","0.0008","90","","90","","90","","1616.01","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N3 O -","- C17 H27 N3 O -","- C68 H108 N12 O4 -","4","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0475","0.0339","","","0.0683","0.0724","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151281","25.094","0.006","12.755","0.003","19.891","0.005","90","","103.926","0.004","90","","6179","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7,8-dihydro-10-(3,4,5-trimethoxyphenyl)-7,7-dimethyl-5-p-tolyl- 5H-indeno[1,2-b]quinoline-9,11(6H,10H)-dione","","- C34 H34 N O5.5 -","- C34 H34 N O5.5 -","- C272 H272 N8 O44 -","8","1","","Tu, Shu-Jiang; Jiang, Bo; Jia, Run-Hong; Zhang, Jun-Yong; Zhang, Yan; Yao, Chang-Sheng; Shi, Feng","An efficient one-pot, three-component synthesis of indeno[1,2-b]quinoline-9,11(6H,10H)-dione, acridine-1,8(2H,5H)-dione and quinoline-3-carbonitrile derivatives from enaminones.","Organic & biomolecular chemistry","2006","4","19","3664","3668","10.1039/b607575d","","","0.71073","MoKα","","0.1921","0.0731","","","0.1771","0.2391","","","","","","0.998","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151282","8.121","","9.299","","12.532","","90","","91.21","","90","","946.17","","9","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H26.26 N3 O7.63 -","- C15 H26.2688 N3 O7.6344 -","- C30 H52.5376 N6 O15.2688 -","2","1","","Checińska, Lilianna; Mebs, Stefan; Hübschle, Christian B; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Reproducibility and transferability of topological data: experimental charge density study of two modifications of L-alanyl-L-tyrosyl-L-alanine.","Organic & biomolecular chemistry","2006","4","17","3242","3251","10.1039/b607744g","","","0.5","synchrotron","","0.0351","0.0293","","","","0.0208","","","","","","2.0596","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151283","8.845","","9.0567","","12.3638","","90","","94.563","","90","","987.282","","20","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","","Checińska, Lilianna; Mebs, Stefan; Hübschle, Christian B; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Reproducibility and transferability of topological data: experimental charge density study of two modifications of L-alanyl-L-tyrosyl-L-alanine.","Organic & biomolecular chemistry","2006","4","17","3242","3251","10.1039/b607744g","","","0.71073","MoKα","","0.0264","0.0223","","","","0.0177","","","","","","1.6277","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151284","7.381","0.001","11.493","0.001","11.058","0.001","90","","95.02","0.01","90","","934.45","0.17","198","2","198","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","7-hydroxy-9H-carbazole-3-carbaldehyde","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0608","0.0414","","","0.1062","0.1192","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151285","8.118","0.003","9.02","0.002","9.143","0.003","101.1","0.02","102.27","0.03","104.33","0.03","612.2","0.4","198","2","198","2","","","","","","","synthesis","4","P -1","-P 1","2","Clausine C (Clauszoline L)","methyl 7-methoxy-9H-carbazole-3-carboxylate","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0612","0.045","","","0.1141","0.1255","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151286","22.924","0.003","5.787","0.0001","8.02","0.0001","90","","96.98","0.03","90","","1056.06","0.16","198","2","198","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","2-methoxy-6-methyl-9H-carbazole","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0566","0.0457","","","0.1179","0.1277","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151287","6.642","0.001","7.761","0.001","11.984","0.005","90","","105.13","0.03","90","","596.3","0.3","198","2","198","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","3-bromo-2-methoxy-6-methyl-9H-carbazole","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C28 H24 Br2 N2 O2 -","2","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0269","0.022","","","0.044","0.0453","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151288","14.321","0.002","11.583","0.003","17.877","0.002","90","","104.49","0.008","90","","2871.1","0.9","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 N O2 -","- C34 H39 N O2 -","- C136 H156 N4 O8 -","4","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.11702","0.074","","","0.18329","0.20145","","","","","","1.75","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151289","9.081","0.002","20.626","0.004","15.6","0.003","90","","98.69","0.02","90","","2888.4","1","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 N O2 -","- C36 H35 N O2 -","- C144 H140 N4 O8 -","4","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.15362","0.06905","","","0.1593","0.20345","","","","","","1.423","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151290","10.088","0.008","16.317","0.006","9.031","0.006","91.18","0.04","97.28","0.06","72.73","0.04","1407.9","1.6","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 N O2 S -","- C34 H33 N O2 S -","- C68 H66 N2 O4 S2 -","2","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.27713","0.10888","","","0.24298","0.28412","","","","","","1.601","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151291","9.471","0.005","30.489","0.006","10.734","0.005","90","","114.03","0.03","90","","2831","2","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H39 N O2 -","- C34 H39 N O2 -","- C136 H156 N4 O8 -","4","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.11358","0.05277","","","0.1171","0.16084","","","","","","1.102","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151292","20.947","0.007","31.759","0.007","8.758","0.007","90","","90","","90","","5826","5","296.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H35 N O2 -","- C36 H35 N O2 -","- C288 H280 N8 O16 -","8","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.19307","0.05528","","","0.10825","0.18927","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151293","11.009","0.002","13.949","0.005","9.752","0.002","97.99","0.02","101.46","0.02","72.82","0.02","1397.1","0.7","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 N O2 S -","- C34 H33 N O2 S -","- C68 H66 N2 O4 S2 -","2","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.15428","0.08277","","","0.20434","0.22675","","","","","","1.779","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151294","8.2013","0.0012","10.5938","0.0016","10.916","0.0017","114.849","0.003","101.576","0.003","99.321","0.003","810.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Wang, Xiaowei; Lou, Qinghua; Guo, Ying; Xu, Yang; Zhang, Zhili; Liu, Junyi","The design and synthesis of 9-phenylcyclohepta[d]pyrimidine-2,4-dione derivatives as potent non-nucleoside inhibitors of HIV reverse transcriptase.","Organic & biomolecular chemistry","2006","4","17","3252","3258","10.1039/b607972p","","","0.71073","MoKα","","0.0654","0.0509","","","0.137","0.1487","","","","","","1.038","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151295","7.1485","0.0011","13.16","0.002","14.239","0.002","90","","90","","90","","1339.5","0.3","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 I N O -","- C11 H22 I N O -","- C44 H88 I4 N4 O4 -","4","1","","Gawley, Robert E.; Eddings, Daniel B.; Santiago, Marcelina; Vicic, Davic A.","Diastereoselectivity of polar and radical couplings in electrophilic substitutions of rigid 2-lithio-N-methylpyrrolidines.","Organic & biomolecular chemistry","2006","4","23","4285","4291","10.1039/b608013h","","","0.7107","MoKα","","","0.0534","","","","0.1033","","","","","","1.762","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151296","9.6549","0.0002","12.9703","0.0003","14.7696","0.0004","90","","108.643","0.001","90","","1752.5","0.07","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5-(4-Methoxybenzylidene)-2-methyl-2-(2-phenylethyl)-1,3- dioxane-4,6-dione","5-(4-Methoxybenzylidene)-2-methyl-2-(2-phenylethyl)-1,3-dioxane-4,6-dione","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Casadesus, Meritxell; Coogan, Michael P.; Ooi, Li-Ling","Synthesis of 5-alkylidene-1,3-dioxane-4,6-diones, an easily accessible family of axially chiral alkenes: preparation in non-racemic form and platinum binding studies.","Organic & biomolecular chemistry","2006","4","20","3822","3830","10.1039/b608785j","","","0.71073","MoKα","","0.0899","0.0524","","","0.1052","0.1171","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151297","20.617","0.001","9.336","0.001","20.742","0.002","90","","95.882","0.006","90","","3971.4","0.6","130","","130","","","","","","","","by syntheses / see text","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H48 O10 S2 -","- C44 H48 O10 S2 -","- C176 H192 O40 S8 -","4","1","","Geertsema, Edzard M.; Schoevaars, Anne Marie; Meetsma, Auke; Feringa, Ben L.","Bisthioxanthylidene biscrown ethers as potential stereodivergent chiral ligands","Organic & Biomolecular Chemistry","2006","4","22","4101","","10.1039/b609271c","","","0.71073","MoKα","","0.1665","0.1148","","","0.3048","0.3425","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151298","12.865","0.011","15.761","0.011","19.557","0.011","90","","90","","90","","3965","5","210","2","210","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Br N O2 -","- C23 H19 Br N O2 -","- C184 H152 Br8 N8 O16 -","8","2","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.218","0.111","","0.24","0.175","","","","1.33","1.37","1.37","","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151299","9.5722","0.0011","11.5881","0.0013","23.044","0.003","90","","90","","90","","2556.1","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O5 -","- C27 H35 N O5 -","- C108 H140 N4 O20 -","4","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0359","0.0297","","","0.0753","0.0787","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151300","11.7081","0.0008","10.0539","0.0007","13.8008","0.001","90","","97.039","0.002","90","","1612.3","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 I N O5 -","- C34 H40 I N O5 -","- C68 H80 I2 N2 O10 -","2","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0338","0.0286","","","0.0649","0.0675","","","","","","0.954","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151301","9.4857","0.001","9.8441","0.001","13.0354","0.0014","90","","100.138","0.002","90","","1198.2","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2-dimethyl-4-(S)-spiro[4H-1-benzopyran-4R,4'-(3'H)-[1H-2] benzopyran-3(S)-yl]oxazolidinine-3-carboxylic acod tert butyl carbamate","","- C27 H31 N O5 -","- C27 H31 N O5 -","- C54 H62 N2 O10 -","2","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0574","0.0376","","","0.0678","0.0739","","","","","","0.928","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151302","34.004","0.004","15.738","0.003","26.894","0.004","90","","122.233","0.005","90","","12174","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61.5 H76.5 Cl1.5 N6 O6 -","- C61.5 H76.5 Cl1.5 N6 O6 -","- C492 H612 Cl12 N48 O48 -","8","1","","Rudzevich, Yuliya; Rudzevich, Valentyn; Schollmeyer, Dieter; Thondorf, Iris; Böhmer, Volker","Hydrogen bonding in dimers of tritolyl and tritosylurea derivatives of triphenylmethanes.","Organic & biomolecular chemistry","2006","4","21","3938","3944","10.1039/b609707c","","","1.54178","CuKα","","0.151","0.1004","","","0.292","0.326","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151303","14.362","0.0006","14.73","0.0006","18.993","0.0006","67.851","0.001","70.264","0.001","80.386","0.001","3499.3","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H78 Cl6 N6 O12 S3 -","- C63 H78 Cl6 N6 O12 S3 -","- C126 H156 Cl12 N12 O24 S6 -","2","1","","Rudzevich, Yuliya; Rudzevich, Valentyn; Schollmeyer, Dieter; Thondorf, Iris; Böhmer, Volker","Hydrogen bonding in dimers of tritolyl and tritosylurea derivatives of triphenylmethanes.","Organic & biomolecular chemistry","2006","4","21","3938","3944","10.1039/b609707c","","","0.71073","MoKα","","0.1602","0.0909","","","0.2362","0.2816","","","","","","1.039","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151304","5.8431","0.0012","7.9668","0.0017","9.1733","0.0019","114.831","0.003","97.043","0.003","99.449","0.003","373.43","0.14","293","2","293","2","","","","","","","","4","P 1","P 1","1","pivaloyl-prolyl-glycyl-N-methyl amide","pivaloyl-prolyl-glycyl-N-methyl amide","","- C13 H23 N3 O3 -","- C13 H23 N3 O3 -","- C13 H23 N3 O3 -","1","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0369","0.0365","","","0.0979","0.0983","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151305","6.297","0.003","11.589","0.005","22.503","0.009","90","","90","","90","","1642.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pivaloyl-prolyl-beta-glycyl-N-methyl amide","pivaloyl-prolyl-beta-glycyl-N-methyl amide","","- C14 H27 N3 O4 -","- C14 H27 N3 O4 -","- C56 H108 N12 O16 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0487","0.0439","","","0.1211","0.1246","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151306","6.157","0.002","11.547","0.004","23.404","0.008","90","","90","","90","","1663.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pivaloyl-prolyl-beta-glycyl-methyl ester","pivaloyl-prolyl-beta-glycyl-methyl ester","","- C14 H26 N2 O5 -","- C14 H26 N2 O5 -","- C56 H104 N8 O20 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0556","0.05","","","0.1379","0.1428","","","","","","1.124","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151307","11.33","0.01","25.56","0.02","6.243","0.006","90","","90","","90","","1808","3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","pivaloyl-prolyl-delta-aminovaleric acid-methyl ester","pivaloyl-prolyl-delta-aminovaleric acid-methyl ester","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C64 H112 N8 O20 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.098","0.0919","","","0.2344","0.2382","","","","","","1.143","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151308","9.7591","0.0016","9.7591","0.0016","29.158","0.01","90","","90","","120","","2405","1","293","2","293","2","","","","","","","","4","P 61","P 61","169","t-butyloxycarbonyl-prolyl-gaba-aminobutyric acid","t-butyloxycarbonyl-prolyl-gaba-aminobutyric acid","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C84 H144 N12 O30 -","6","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.099","0.0773","","","0.1243","0.1306","","","","","","1.263","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151309","24.3549","0.0008","13.9993","0.0004","26.1244","0.0007","90","","94.689","0.002","90","","8877.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H45 Cl3 N4 O2 -","- C49 H45 Cl3 N4 O2 -","- C392 H360 Cl24 N32 O16 -","8","1","","Gu, Rong; Van Hecke, Kristof; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim","Oxidative reactions of 6-pentyl indolo[3,2-b]carbazole: formation of novel C-C and C-N coupled dimers.","Organic & biomolecular chemistry","2006","4","20","3785","3789","10.1039/b610040f","","","1.54178","CuKα","","0.1108","0.0776","","","0.1669","0.1793","","","","","","1.042","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151310","12.4498","0.0007","13.0721","0.0006","17.1213","0.0008","76.028","0.003","88.352","0.004","64.368","0.003","2428.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H60 N4 O3 -","- C55 H60 N4 O3 -","- C110 H120 N8 O6 -","2","1","","Gu, Rong; Van Hecke, Kristof; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim","Oxidative reactions of 6-pentyl indolo[3,2-b]carbazole: formation of novel C-C and C-N coupled dimers.","Organic & biomolecular chemistry","2006","4","20","3785","3789","10.1039/b610040f","","","1.54178","CuKα","","0.0811","0.0711","","","0.1454","0.1497","","","","","","1.043","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151311","18.188","0.003","7.049","0.001","17.257","0.002","90","","121.24","0.002","90","","1891.7","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0535","0.037","","","0.086","0.0943","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151312","7.284","0.003","9.462","0.003","18.426","0.006","76.24","0.005","84.707","0.006","68.069","0.005","1144.2","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H27 N O -","- C31 H27 N O -","- C62 H54 N2 O2 -","2","2","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0826","0.0538","","","0.1255","0.1422","","","","","","1","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151313","7.6834","0.001","10.5554","0.0014","16.299","0.002","90","","93.517","0.002","90","","1319.4","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 Cl2 N2 O3 -","- C31 H30 Cl2 N2 O3 -","- C62 H60 Cl4 N4 O6 -","2","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0343","0.0309","","","0.0745","0.0766","","","","","","1.045","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151314","10.3383","0.0014","9.6773","0.0013","14.613","0.002","90","","108.054","0.002","90","","1390","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H32 N2 O3 -","- C36 H32 N2 O3 -","- C72 H64 N4 O6 -","2","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.058","0.0386","","","0.0851","0.0935","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151315","11.945","0.001","11.653","0.002","16.339","0.002","90","","127.717","0.007","90","","1799.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Heureux, Nicolas; Wouters, Johan; Norberg, Bernadette; Markó, István E","Short, asymmetric synthesis of epi-morphine ACNO analogues.","Organic & biomolecular chemistry","2006","4","21","3898","3900","10.1039/b610148h","","","1.54178","CuKα","","0.0422","0.0402","","","0.114","0.1159","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151316","17.576","0.003","15.667","0.002","7.465","0.001","90","","90.461","0.011","90","","2055.5","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Heureux, Nicolas; Wouters, Johan; Norberg, Bernadette; Markó, István E","Short, asymmetric synthesis of epi-morphine ACNO analogues.","Organic & biomolecular chemistry","2006","4","21","3898","3900","10.1039/b610148h","","","1.54178","CuKα","","0.0387","0.0378","","","0.1093","0.1105","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151317","9.1809","0.0018","6.4336","0.0012","11.416","0.002","90","","108.32","0.004","90","","640.1","0.2","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O -","- C14 H22 O -","- C28 H44 O2 -","2","1","","Chang, Wen-Sheng; Shia, Kak-Shan; Liu, Hsing-Jang; Wei Ly, Tai","The first total synthesis of xenitorins B and C: assignment of absolute configuration.","Organic & biomolecular chemistry","2006","4","20","3751","3753","10.1039/b610427d","","","0.71073","MoKα","","0.0759","0.0436","","","0.0947","0.1042","","","","","","0.841","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151318","11.6475","0.0003","14.2692","0.0003","12.073","0.0003","90","","106.561","0.001","90","","1923.3","0.08","120","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 O3 P S2 -","- C21 H21 O3 P S2 -","- C84 H84 O12 P4 S8 -","4","1","","Ju-Nam, Yon; Bricklebank, Neil; Allen, David W.; Gardiner, Philip H. E.; Light, Mark E.; Hursthouse, Michael B.","Phosphonioalkylthiosulfate zwitterions‒new masked thiol ligands for the formation of cationic functionalised gold nanoparticles.","Organic & biomolecular chemistry","2006","4","23","4345","4351","10.1039/b610480k","","","","","","0.0565","0.0416","","","0.0994","0.1068","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151319","9.05","0.0003","14.3012","0.0004","15.0732","0.0006","90","","96.326","0.002","90","","1938.98","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 O3 P S2 -","- C15 H33 O3 P S2 -","- C60 H132 O12 P4 S8 -","4","1","","Ju-Nam, Yon; Bricklebank, Neil; Allen, David W.; Gardiner, Philip H. E.; Light, Mark E.; Hursthouse, Michael B.","Phosphonioalkylthiosulfate zwitterions‒new masked thiol ligands for the formation of cationic functionalised gold nanoparticles.","Organic & biomolecular chemistry","2006","4","23","4345","4351","10.1039/b610480k","","","0.71073","MoKα","","0.0775","0.0594","","","0.1487","0.1589","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151320","11.7699","0.0008","9.9771","0.0007","21.9102","0.0015","90","","90","","90","","2572.9","0.3","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","milkb01","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C112 H136 N8 O24 -","8","2","","Bucholtz, Kevin M.; Gareiss, Peter C.; Tajc, Stephen G.; Miller, Benjamin L.","Synthesis and evaluation of the first cis-cyclobutane-containing receptor for lipid A.","Organic & biomolecular chemistry","2006","4","21","3973","3979","10.1039/b610727c","","","0.71073","MoKα","","0.0718","0.0568","","","0.1521","0.1608","","","","","","1.056","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151321","14.322","0.004","8.975","0.002","17.157","0.004","90","","97.742","0.005","90","","2185.3","0.9","95","2","95","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H48 Cl N3 O5 -","- C53 H48 Cl N3 O5 -","- C106 H96 Cl2 N6 O10 -","2","1","","Zhang, Weicheng; Wu, Shulin; Zhang, Zhaoguo; Yennawar, Hemant; Zhang, Xumu","Practical synthesis of chiral 9,9'-spirobixanthene-1,1'-diol.","Organic & biomolecular chemistry","2006","4","24","4474","4477","10.1039/b610879b","","","0.71073","MoKα","","0.1015","0.0571","","","0.1314","0.1637","","","","","","1.045","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151322","9.2512","0.0015","19.807","0.003","34.048","0.005","90","","90","","90","","6238.9","1.7","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63.53 H64.29 Cl N7.76 O6 -","- C63.528 H64.292 Cl N7.764 O6 -","- C254.112 H257.168 Cl4 N31.056 O24 -","4","1","","Zhang, Weicheng; Wu, Shulin; Zhang, Zhaoguo; Yennawar, Hemant; Zhang, Xumu","Practical synthesis of chiral 9,9'-spirobixanthene-1,1'-diol.","Organic & biomolecular chemistry","2006","4","24","4474","4477","10.1039/b610879b","","","0.71073","MoKα","","0.0795","0.067","","","0.1627","0.169","","","","","","1.07","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151323","28.768","0.005","8.9966","0.0012","17.703","0.003","90","","108.727","0.004","90","","4339.2","1.2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 N2 O4 -","- C27 H24 N2 O4 -","- C216 H192 N16 O32 -","8","1","","Tu, Shu-Jiang; Jiang, Bo; Zhang, Jun-Yong; Jia, Run-Hong; Zhang, Yan; Yao, Chang-Sheng","Efficient and direct synthesis of poly-substituted indeno[1,2-b]quinolines assisted by p-toluene sulfonic acid using high-temperature water and microwave heating via one-pot, three-component reaction.","Organic & biomolecular chemistry","2006","4","21","3980","3985","10.1039/b611462h","","","0.7107","MoKα","","0.0758","0.0617","","","0.1182","0.124","","","","","","1.195","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151324","15.081","0.002","9.4381","0.0014","35.102","0.006","90","","92.041","0.003","90","","4993.1","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H53 N3 O5 S2 -","- C59 H53 N3 O5 S2 -","- C236 H212 N12 O20 S8 -","4","1","","Tu, Shu-Jiang; Jiang, Bo; Zhang, Jun-Yong; Jia, Run-Hong; Zhang, Yan; Yao, Chang-Sheng","Efficient and direct synthesis of poly-substituted indeno[1,2-b]quinolines assisted by p-toluene sulfonic acid using high-temperature water and microwave heating via one-pot, three-component reaction.","Organic & biomolecular chemistry","2006","4","21","3980","3985","10.1039/b611462h","","","0.71073","MoKα","","0.1602","0.0629","","","0.1486","0.2054","","","","","","1.005","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151325","10.6783","0.0003","8.1891","0.0002","11.1365","0.0003","90","","98.9319","0.0017","90","","962.03","0.04","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H25 N O6 S -","- C18 H25 N O6 S -","- C36 H50 N2 O12 S2 -","2","1","","Moloney, Mark G.; Panchal, Terry; Pike, Richard","trans-2,5-Disubstituted pyrrolidines: Rapid stereocontrolled access from sulfones.","Organic & biomolecular chemistry","2006","4","21","3894","3897","10.1039/b611583g","","","0.71073","MoKα","","0.0522","0.0334","","0.0553","0.034","0.034","","","","","","1.1154","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151326","7.6916","0.0003","11.7602","0.0005","8.2773","0.0004","90","","95.392","0.003","90","","745.41","0.06","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Smith, Timothy R.; Clark, Andrew J.; Clarkson, Guy J.; Taylor, Paul C.; Marsh, Andrew","Concise enantioselective synthesis of abscisic acid and a new analogue","Organic & Biomolecular Chemistry","2006","4","22","4186","","10.1039/b611880a","","","1.54178","CuKα","","0.0387","0.0348","","","0.0846","0.0879","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151327","11.5181","0.0009","11.8484","0.0009","18.2094","0.0014","96.201","0.002","105.504","0.001","113.542","0.001","2129.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H36 Br2 Cl2 O2 P2 Pd S -","- C43 H36 Br2 Cl2 O2 P2 Pd S -","- C86 H72 Br4 Cl4 O4 P4 Pd2 S2 -","2","1","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.0953","0.0471","","","0.0894","0.0989","","","","","","0.851","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151328","25.7511","0.0018","13.0925","0.0009","11.5739","0.0008","90","","113.781","0.001","90","","3570.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Br2 P2 Pd S -","- C40 H32 Br2 P2 Pd S -","- C160 H128 Br8 P8 Pd4 S4 -","4","0.5","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.1024","0.0709","","","0.2024","0.2102","","","","","","1.157","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151329","11.6242","0.0008","11.8469","0.0009","16.614","0.0013","90.399","0.001","105.424","0.002","98.501","0.001","2178.7","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H34 Br2 Cl3 N O2 P2 Pd S -","- C42 H34 Br2 Cl3 N O2 P2 Pd S -","- C84 H68 Br4 Cl6 N2 O4 P4 Pd2 S2 -","2","1","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.0916","0.0548","","","0.1358","0.1539","","","","","","0.909","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151330","25.775","0.004","13.4291","0.0019","11.7221","0.0016","90","","113.582","0.003","90","","3718.6","0.9","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 Br2 N O P2 Pd S -","- C40 H33 Br2 N O P2 Pd S -","- C160 H132 Br8 N4 O4 P8 Pd4 S4 -","4","0.5","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.1219","0.0794","","","0.2022","0.2156","","","","","","1.142","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151331","21.459","0.003","11.2009","0.0016","22.854","0.003","90","","102.583","0.004","90","","5361.3","1.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Br F3 O2 P2 Pd S -","- C50 H40 Br F3 O2 P2 Pd S -","- C200 H160 Br4 F12 O8 P8 Pd4 S4 -","4","1","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.1949","0.094","","","0.2117","0.2483","","","","","","0.986","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151332","17.0768","0.0012","14.1377","0.001","27.7514","0.0019","90","","90","","90","","6699.9","0.8","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H30 N4 Ni O2 -","- C45 H30 N4 Ni O2 -","- C360 H240 N32 Ni8 O16 -","8","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.0532","0.044","","","0.1026","0.1073","","","","","","1.229","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151333","17.074","0.003","14.209","0.002","27.882","0.004","90","","90","","90","","6764.3","1.8","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H30 Cu N4 O2 -","- C45 H30 Cu N4 O2 -","- C360 H240 Cu8 N32 O16 -","8","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.0926","0.0522","","","0.1065","0.1234","","","","","","1.047","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151334","18.111","0.004","14.986","0.004","27.852","0.006","90","","102.635","0.005","90","","7376","3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H58 Cl6 N8 Ni2 O2 -","- C91 H58 Cl6 N8 Ni2 O2 -","- C364 H232 Cl24 N32 Ni8 O8 -","4","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.1465","0.0715","","","0.1805","0.2276","","","","","","1.011","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151335","9.227","0.002","12.144","0.003","12.904","0.003","90","","91.55","0.015","90","","1445.4","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl N2 O2 -","- C14 H15 Cl N2 O2 -","- C56 H60 Cl4 N8 O8 -","4","1","","Helm, Matthew D.; Plant, Andrew; Harrity, Joseph P. A.","A novel approach to functionalised pyridazinone arrays.","Organic & biomolecular chemistry","2006","4","23","4278","4280","10.1039/b613223e","","","0.71073","MoKα","","0.0916","0.0418","","","0.1055","0.1266","","","","","","0.99","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151336","25.7394","0.001","25.7394","0.001","5.9168","0.0006","90","","90","","90","","3920","0.5","150","2","150","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C21 H18 Cl N3 O4 -","- C21 H18 Cl N3 O4 -","- C168 H144 Cl8 N24 O32 -","8","1","","Helm, Matthew D.; Plant, Andrew; Harrity, Joseph P. A.","A novel approach to functionalised pyridazinone arrays.","Organic & biomolecular chemistry","2006","4","23","4278","4280","10.1039/b613223e","","","0.71073","MoKα","","0.0801","0.045","","","0.0966","0.1143","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151337","5.9604","0.0012","8.5899","0.0017","17.36","0.003","92.596","0.004","95.039","0.004","99.803","0.004","870.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H29 N O6 -","- C18 H29 N O6 -","- C36 H58 N2 O12 -","2","1","","Amewu, Richard; Stachulski, Andrew V.; Ward, Stephen A.; Berry, Neil G.; Bray, Patrick G.; Davies, Jill; Labat, Gael; Vivas, Livia; O'Neill, Paul M","Design and synthesis of orally active dispiro 1,2,4,5-tetraoxanes; synthetic antimalarials with superior activity to artemisinin.","Organic & biomolecular chemistry","2006","4","24","4431","4436","10.1039/b613565j","","","0.71073","MoKα","","0.0948","0.0761","","","0.1793","0.1924","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151338","6.261","0.0006","37.479","0.003","8.6291","0.0008","90","","90.841","0.002","90","","2024.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 N O6 -","- C22 H33 N O6 -","- C88 H132 N4 O24 -","4","1","","Amewu, Richard; Stachulski, Andrew V.; Ward, Stephen A.; Berry, Neil G.; Bray, Patrick G.; Davies, Jill; Labat, Gael; Vivas, Livia; O'Neill, Paul M","Design and synthesis of orally active dispiro 1,2,4,5-tetraoxanes; synthetic antimalarials with superior activity to artemisinin.","Organic & biomolecular chemistry","2006","4","24","4431","4436","10.1039/b613565j","","","0.71073","MoKα","","0.0779","0.0707","","","0.1875","0.1943","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151339","7.5911","0.0012","14.524","0.002","26.489","0.004","90","","90","","90","","2920.5","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Br N2 O -","- C18 H11 Br N2 O -","- C144 H88 Br8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0829","0.0408","","","0.0678","0.0776","","","","","","0.868","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151340","8.6767","0.0012","7.7705","0.0011","19.715","0.003","90","","91.173","0.003","90","","1329","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 F N2 O -","- C18 H11 F N2 O -","- C72 H44 F4 N8 O4 -","4","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.1018","0.0672","","","0.1715","0.1905","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151341","7.605","0.002","14.272","0.004","26.587","0.007","90","","90","","90","","2885.7","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Cl N2 O -","- C18 H11 Cl N2 O -","- C144 H88 Cl8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.2187","0.0895","","","0.0811","0.1086","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151342","23.342","0.004","7.5017","0.0014","17.36","0.003","90","","103.055","0.003","90","","2961.2","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Br N2 O -","- C18 H13 Br N2 O -","- C144 H104 Br8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0458","0.0365","","","0.0887","0.0916","","","","","","0.964","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151343","11.686","0.003","7.3469","0.0016","16.098","0.004","90","","99.71","0.004","90","","1362.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C72 H52 F4 N8 O4 -","4","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0689","0.045","","","0.0826","0.0896","","","","","","0.937","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151344","6.223","0.0018","13.841","0.004","15.692","0.005","92.103","0.007","93.903","0.005","102.953","0.005","1312.3","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","2","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0758","0.0486","","","0.0947","0.1042","","","","","","1.003","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151345","6.853","0.0002","9.6726","0.0003","21.2802","0.0007","90","","90","","90","","1410.59","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O5 S -","- C13 H15 Cl O5 S -","- C52 H60 Cl4 O20 S4 -","4","1","","Alonso, A. Mateo; Horcajada, Roberto; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","The reactivity, as electrogenerated bases, of chiral and achiral phenazine radical-anions, including application in asymmetric deprotonation.","Organic & biomolecular chemistry","2005","3","15","2842","2847","10.1039/b506309d","","","0.71073","MoKα","","0.0309","0.0276","","","0.0666","0.0683","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151346","21.102","0.008","10.963","0.006","5.929","0.002","90","","92.57","0.05","90","","1370.2","1","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C56 H64 O16 S4 -","4","1","","Alonso, A. Mateo; Horcajada, Roberto; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","The reactivity, as electrogenerated bases, of chiral and achiral phenazine radical-anions, including application in asymmetric deprotonation.","Organic & biomolecular chemistry","2005","3","15","2842","2847","10.1039/b506309d","","","0.71073","MoKα","","0.1293","0.0521","","","0.125","0.1498","","","","","","1.008","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151347","23.051","0.001","7.509","0.001","7.739","0.001","90","","90","","90","","1339.5","0.3","198","2","198","2","","","","","","","","4","P c a 21","P 2c -2ac","29","clausine H","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Kataeva, Olga; Krahl, Micha P.; Knölker, Hans-Joachim","First total synthesis of the biologically active 2,7-dioxygenated tricyclic carbazole alkaloids 7-methoxy-O-methylmukonal, clausine H (clauszoline-C), clausine K (clauszoline-J) and clausine O.","Organic & biomolecular chemistry","2005","3","17","3099","3101","10.1039/b507660a","","","0.71073","MoKα","","0.0458","0.0324","","","0.0693","0.074","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151348","24.2176","0.0008","14.582","0.0005","14.204","0.0005","90","","90","","90","","5016","0.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","6a in paper","","","- C25 H28 Cl2 N2 O2 S -","- C25 H28 Cl2 N2 O2 S -","- C200 H224 Cl16 N16 O16 S8 -","8","2","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.0688","0.0588","","","0.1529","0.1612","","","","","","1.066","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151349","11.762","0.0001","13.0069","0.0001","14.7316","0.0002","90","","97.724","0.001","90","","2233.3","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6b in paper","","","- C26 H27 N3 O4 -","- C26 H27 N3 O4 -","- C104 H108 N12 O16 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.0583","0.0413","","","0.0999","0.1098","","","","","","1.032","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151350","15.6913","0.0001","16.5338","0.0002","18.142","0.0002","90","","99.574","0.001","90","","4641.15","0.08","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","6c in paper?","","","- C27 H30 N2 O3 -","- C27 H30 N2 O3 -","- C216 H240 N16 O24 -","8","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.1037","0.0495","","","0.1203","0.1477","","","","","","1.007","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151351","9.8924","0.0002","10.3918","0.0002","23.1132","0.0004","90","","95.472","0.001","90","","2365.21","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6e in paper","","","- C25 H26 N2 O2 S -","- C26 H32 N2 O3 S -","- C104 H128 N8 O12 S4 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.0653","0.0414","","","0.1027","0.1147","","","","","","1.028","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151352","8.6239","0.0001","22.0514","0.0004","13.2225","0.0001","90","","100.164","0.001","90","","2475.05","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6f in paper","","","- C25 H28 N2 O2 S -","- C29 H26.815 N2 O2 S -","- C116 H107.26 N8 O8 S4 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.1031","0.0675","","","0.1907","0.2133","","","","","","1.038","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151353","11.5257","0.0003","12.9651","0.0004","10.7417","0.0003","90","","94.77","0.001","90","","1599.59","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6l in paper","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.046","0.0358","","","0.0893","0.0959","","","","","","1.028","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151354","11.25","0.0002","11.291","0.0002","11.708","0.0002","76.459","0.001","64.71","0.001","64.809","0.001","1214.28","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N2 O7 -","- C27 H26 N2 O7 -","- C54 H52 N4 O14 -","2","1","","Heaney, Frances; McCarthy, Tomas; Mahon, Mary; McKee, V.","Bridgehead nitrogen heterocycles which contain the quinazoline moiety ‒ synthesis and cycloaddition of 1,2-dihydroquinazoline 3-oxides.","Organic & biomolecular chemistry","2005","3","24","4351","4361","10.1039/b511998g","","","0.71073","MoKα","","0.0837","0.0634","","","0.1751","0.1938","","","","","","1.028","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151355","11.1011","0.0012","21.952","0.002","15.9307","0.0017","90","","103.285","0.002","90","","3778.3","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N2 O17 -","- C39 H38 N2 O17 -","- C156 H152 N8 O68 -","4","1","","Heaney, Frances; McCarthy, Tomas; Mahon, Mary; McKee, V.","Bridgehead nitrogen heterocycles which contain the quinazoline moiety ‒ synthesis and cycloaddition of 1,2-dihydroquinazoline 3-oxides.","Organic & biomolecular chemistry","2005","3","24","4351","4361","10.1039/b511998g","","","0.71073","MoKα","","0.0958","0.0475","","","0.1027","0.1226","","","","","","1.01","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151356","10.675","0.0004","10.8521","0.0005","33.594","0.0012","90","","90","","90","","3891.7","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetic acid 5-(5-acetoxy-2,2-dimethyl-(1,3)dioxan-5-yl-ONN- azoxy)-2,2-dimethyl-(1,3)dioxan-5-yl ester","","","- C16 H26 N2 O9 -","- C16 H26 N2 O9 -","- C128 H208 N16 O72 -","8","1","","Calvet, Géraldine; Guillot, Régis; Blanchard, Nicolas; Kouklovsky, Cyrille","Intermolecular nitroso Diels-Alder cycloaddition of alpha-acetoxynitroso derivatives in aqueous medium.","Organic & biomolecular chemistry","2005","3","24","4395","4401","10.1039/b513397a","","","0.71073","MoKα","","0.0788","0.0452","","","0.1168","0.1383","","","","","","1.069","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151357","5.5947","0.0009","9.6504","0.0017","31.93","0.006","90","","90","","90","","1723.9","0.5","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","Sorensen, John L.; Auclair, Karine; Kennedy, Jonathan; Richard Hutchinson, C.; Vederas, John C.","Transformations of cyclic nonaketides by Aspergillus terreus mutants blocked for lovastatin biosynthesis at the lovA and lovC genes","Organic & Biomolecular Chemistry","2003","1","1","50","","10.1039/b207721c","","","0.71073","MoKα","","0.2881","0.062","","","0.1103","0.2159","","","","","","0.779","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151358","5.5318","0.0011","9.7123","0.0019","32.163","0.007","90","","90","","90","","1728","0.6","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C76 H120 O16 -","4","1","","Sorensen, John L.; Auclair, Karine; Kennedy, Jonathan; Richard Hutchinson, C.; Vederas, John C.","Transformations of cyclic nonaketides by Aspergillus terreus mutants blocked for lovastatin biosynthesis at the lovA and lovC genes","Organic & Biomolecular Chemistry","2003","1","1","50","","10.1039/b207721c","","","0.71073","MoKα","","0.0885","0.0538","","","0.0944","0.1044","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151359","17.092","0.002","30.493","0.003","16.382","0.002","90","","90","","90","","8538.1","1.7","299.2","","299.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C48 H48 O12 -","- C48 H48 O12 -","- C384 H384 O96 -","8","1","","Ashram, Muhammad; Mizyed, Shehadeh; Georghiou, Paris E.","Ester derivatives of hexahomotrioxacalix[3]naphthalenes: conformational and binding properties with alkali metal cations","Organic & Biomolecular Chemistry","2003","1","3","599","","10.1039/b209046p","","","1.5418","CuKα","","0.1917","0.087","","0.091","","0.08","","","1.571","","","2.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151360","7.295","0.003","18.22","0.008","20.779","0.007","90","","95.67","0.03","90","","2748.3","1.9","188","2","188","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Fe -","- C18 H16 Fe -","- C144 H128 Fe8 -","8","2","","Baldridge, Kim K.; Donovan-Merkert, Bernadette T.; O'Connor, Joseph M.; Lee, Linda I.; Closson, Adam; Fandrick, Daniel; Tran, Tuan; Bunker, Kevin D.; Fouzi, Mouffouk; Gantzel, Peter","Ring-strain effects on the oxidation potential of enediynes and enediyne complexes","Organic & Biomolecular Chemistry","2003","1","5","763","","10.1039/b209285a","","","0.71073","MoKα","","0.0931","0.0544","","0.1308","0.1082","","","","1.026","1.057","1.057","","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151361","7.316","0.005","11.656","0.008","17.244","0.017","75.28","0.07","80.66","0.07","76.67","0.05","1375","2","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 Fe -","- C18 H16 Fe -","- C72 H64 Fe4 -","4","2","","Baldridge, Kim K.; Donovan-Merkert, Bernadette T.; O'Connor, Joseph M.; Lee, Linda I.; Closson, Adam; Fandrick, Daniel; Tran, Tuan; Bunker, Kevin D.; Fouzi, Mouffouk; Gantzel, Peter","Ring-strain effects on the oxidation potential of enediynes and enediyne complexes","Organic & Biomolecular Chemistry","2003","1","5","763","","10.1039/b209285a","","","0.71073","MoKα","","0.0806","0.0611","","0.1733","0.1522","","","","1.043","1.069","1.069","","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151362","10.055","0.007","11.047","0.006","14.409","0.008","107.38","0.04","91.75","0.05","103.08","0.05","1479.5","1.6","186","2","186","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 Fe -","- C19 H18 Fe -","- C76 H72 Fe4 -","4","2","","Baldridge, Kim K.; Donovan-Merkert, Bernadette T.; O'Connor, Joseph M.; Lee, Linda I.; Closson, Adam; Fandrick, Daniel; Tran, Tuan; Bunker, Kevin D.; Fouzi, Mouffouk; Gantzel, Peter","Ring-strain effects on the oxidation potential of enediynes and enediyne complexes","Organic & Biomolecular Chemistry","2003","1","5","763","","10.1039/b209285a","","","0.71073","MoKα","","0.0795","0.0572","","","0.1365","0.1521","","","","","","1.056","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151363","7.7426","0.0003","12.4048","0.0005","24.867","0.001","90","","90","","90","","2388.36","0.16","100","","100","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O2 S2 -","- C29 H24 N2 O2 S2 -","- C116 H96 N8 O8 S8 -","4","1","","van Delden, Richard A.; Koumura, Nagatoshi; Schoevaars, Annemarie; Meetsma, Auke; Feringa, Ben L.","A donor–acceptor substituted molecular motor: unidirectional rotation driven by visible light","Organic & Biomolecular Chemistry","2003","1","1","33","35","10.1039/b209378b","","","0.71073","MoKα","","0.0291","0.0285","","","0.0763","0.0769","","","","","","1.037","","","","has coordinates","288193","2023-12-08","17:12:24",""
"7151364","9.413","0.003","9.609","0.006","12.855","0.004","100.19","0.04","95.29","0.03","109.46","0.05","1064.6","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H33 N3 -","- C23 H33 N3 -","- C46 H66 N6 -","2","1","","Malassene, Richard; Vanquelef, Enguerran; Toupet, Loic; Hurvois, Jean-Pierre; Moinet, Claude","Diastereoselective preparation of 2,4,6-trisubstituted-2'-cyanopiperidines: application to the construction of the carbon framework of perhydrohistrionicotoxin","Organic & Biomolecular Chemistry","2003","1","3","547","","10.1039/b209387a","","","0.71069","MoKα","","0.1071","0.0615","","","0.1911","0.2077","","","","","","1.095","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151365","12.3997","0.0002","20.171","0.0004","30.6428","0.0006","90","","90","","90","","7664.2","0.2","100","2","100","2","","","","","","","Sandoz-Novartis","4","P 21 21 21","P 2ac 2ab","19","cyclosporin G","cyclosporin G crystal form I ex MeOH LT","","- C63.5 H119.8 N11 O14.9 -","- C63.5 H119.8 N11 O14.9 -","- C254 H479.2 N44 O59.6 -","4","1","","Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z.","Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution","Organic & Biomolecular Chemistry","2003","1","9","1466","","10.1039/b210086j","","","0.71073","MoKα","","0.1427","0.0661","","","0.1489","0.1813","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151366","12.43","0.0017","20.256","0.003","30.617","0.004","90","","90","","90","","7708.8","1.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclosporin G","cyclosporin G crystal form II ex MeOH and Mg (ClO4)2 LT","","- C64 H121.8 N11 O15.4 -","- C64 H121.8 N11 O15.4 -","- C256 H487.2 N44 O61.6 -","4","1","","Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z.","Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution","Organic & Biomolecular Chemistry","2003","1","9","1466","","10.1039/b210086j","","","0.71073","MoKα","","0.0726","0.0558","","","0.1386","0.1485","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151367","17.2986","0.0008","19.69","0.001","24.137","0.004","90","0","90","0","90","0","8221.3","1.5","293","2","293","2","","","","","","","Sandoz-Novartis","4","P 21 21 21","P 2ac 2ab","19","cyclosporin H","cyclosporin H crystal form I ex MeOH RT","","- C62 H123 N11 O18 -","- C62 H123 N11 O18 -","- C248 H492 N44 O72 -","4","1","","Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z.","Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution","Organic & Biomolecular Chemistry","2003","1","9","1466","","10.1039/b210086j","","","1.5418","CuKα","","0.1343","0.0892","","","0.2212","0.2418","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151368","17.358","0.002","19.515","0.001","23.225","0.003","90","0","90","0","90","0","7867.3","1.4","293","2","293","2","","","","","","","Sandoz-Novartis","4","P 21 21 21","P 2ac 2ab","19","cyclosporin H","cyclosporin H crystal form II ex MeOH+Mg(ClO4)2 RT","","- C62 H123.8 N11 O18.4 -","- C62 H123.8 N11 O18.4 -","- C248 H495.2 N44 O73.6 -","4","1","","Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z.","Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution","Organic & Biomolecular Chemistry","2003","1","9","1466","","10.1039/b210086j","","","1.5418","CuKα","","0.0937","0.0582","","","0.1429","0.1555","","","","","","0.964","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151369","9.1016","0.0009","9.3289","0.0007","11.1653","0.0012","90","","96.651","0.013","90","","941.64","0.16","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C48 H48 N4 O2 -","2","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0351","0.0278","","","0.0639","0.0664","","","","","","0.949","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151370","10.8641","0.0016","6.36","0.0008","13.0544","0.0017","90","","90.312","0.01","90","","902","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 -","- C23 H22 N2 -","- C46 H44 N4 -","2","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.085","0.0494","","","0.0967","0.1118","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151371","6.6825","0.0005","7.4085","0.0004","23.4403","0.0018","90","","94.08","0.01","90","","1157.53","0.14","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 Cl3 N2 O -","- C25 H25 Cl3 N2 O -","- C50 H50 Cl6 N4 O2 -","2","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0403","0.0299","","","0.0657","0.0684","","","","","","0.923","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151372","11.4989","0.0005","14.7712","0.0008","25.141","0.0016","90","","90","","90","","4270.3","0.4","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H50 N4 -","- C54 H50 N4 -","- C216 H200 N16 -","4","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.076","0.0326","","","0.0487","0.0558","","","","","","0.73","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151373","20.7692","0.0018","6.0863","0.0004","14.9639","0.0013","90","","99.673","0.01","90","","1864.7","0.3","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H46 N4 O2 -","- C48 H46 N4 O2 -","- C96 H92 N8 O4 -","2","0.5","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0425","0.0334","","","0.0819","0.0847","","","","","","1.026","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151374","6.1546","0.0005","13.5496","0.0013","17.5877","0.0016","90","","90","","90","","1466.7","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br N2 -","- C17 H17 Br N2 -","- C68 H68 Br4 N8 -","4","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0705","0.0315","","","0.051","0.0574","","","","","","0.783","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151375","11.4893","0.0008","20.8542","0.0016","6.4198","0.0004","90","","90","","90","","1538.19","0.19","153","2","153","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C34 H50 N4 -","- C34 H50 N4 -","- C68 H100 N8 -","2","0.5","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0774","0.0417","","","0.0841","0.0926","","","","","","0.834","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151376","6.5403","0.0008","11.3397","0.001","20.395","0.002","90","","90","","90","","1512.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br N2 -","- C17 H17 Br N2 -","- C68 H68 Br4 N8 -","4","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","1.5418","CuKα","","0.032","0.0314","","","0.0801","0.0808","","","","","","1.075","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151377","12.915","0.002","5.694","0.001","27.08","0.003","90","","98.69","","90","","1968.5","0.5","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-hydroxy-6-(4-methoxybencyliden)-2-(1-(4- methoxyphenyl)ethyl)cyclohexanone","2-hydroxy-6-(4-methoxybencyliden)-2-[1-(4-methoxyphenyl)ethyl]cyclohexanone","","- C23 H26 O4 -","- C23 H26 O4 -","- C92 H104 O16 -","4","1","","Klimova, Elena I.; García, Marcos Martínez; Klimova, Tatiana; Ortega, S. Hernandez; Bakinovsky, Leon V.","1,3-Bis(diarylmethylidene)-2-methylidenecyclohexanes in cycloaddition and cyclodimerization reactions. The role of stereoelectronic factors","Organic & Biomolecular Chemistry","2003","1","7","1210","","10.1039/b210890a","","","1.54178","CuKα","","0.0533","0.0423","","","0.1037","0.1124","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151378","15.243","0.006","8.697","0.004","15.245","0.01","90","","108.21","0.04","90","","1919.8","1.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C88 H92 N4 O20 -","4","1","","Heaney, Frances; Fenlon, Julie; McArdle, Patrick; Cunningham, Desmond","α-Keto amides as precursors to heterocycles—generation and cycloaddition reactions of piperazin-5-one nitrones","Organic & Biomolecular Chemistry","2003","1","7","1122","","10.1039/b210943n","","","0.71069","MoKα","","0.0918","0.0648","","","0.1562","0.1726","","","","","","1.063","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151379","8.4604","0.0016","19.74","0.002","16.8","0.002","90","","90","","90","","2805.7","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","","Heaney, Frances; Fenlon, Julie; McArdle, Patrick; Cunningham, Desmond","α-Keto amides as precursors to heterocycles—generation and cycloaddition reactions of piperazin-5-one nitrones","Organic & Biomolecular Chemistry","2003","1","7","1122","","10.1039/b210943n","","","0.71069","MoKα","","0.0488","0.0435","","","0.1055","0.1105","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151380","14.013","0.001","14.151","0.001","17.216","0.001","88.99","0.01","70.38","0.01","68.04","0.01","2959.5","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","9-{N-tosylpyrrolo[3,4-d]-1,3-dithiol-2-ylidene}-10-{4,5- bis(methylsulfanyl)-1,3-dithiol-2-ylidene}-9,10-dihydroanthracene","","- C31 H23 N O2 S7 -","- C31 H23 N O2 S7 -","- C124 H92 N4 O8 S28 -","4","2","","Christensen, Christian A.; Bryce, Martin R.; Batsanov, Andrei S.; Becher, Jan","New strategies and building blocks for functionalised 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene derivatives, including pyrrolo-annelated derivatives and π-extended systems with intramolecular charge-transferThis paper is Molecular Saddles Part 10. For Part 9 see reference 5c.Electronic supplementary information (ESI) available: NOE spectra for compound 23. See http://www.rsc.org/suppdata/ob/b2/b211153p/","Organic & Biomolecular Chemistry","2003","1","3","511","","10.1039/b211153p","","","0.71073","MoKα","","0.0455","0.0347","","","0.086","0.0921","","","","","","1.021","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151381","9.226","0.001","12.541","0.001","12.76","0.002","99.64","0.01","95.44","0.01","108.73","0.01","1360.9","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","9-{pyrrolo[3,4-d]-1,3-dithiol-2-ylidene}-10-{4,5-bis(butylsulfanyl)- 1,3-dithiol-2-ylidene}-9,10-dihydroanthracene","","- C30 H29 N S6 -","- C30 H29 N S6 -","- C60 H58 N2 S12 -","2","1","","Christensen, Christian A.; Bryce, Martin R.; Batsanov, Andrei S.; Becher, Jan","New strategies and building blocks for functionalised 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene derivatives, including pyrrolo-annelated derivatives and π-extended systems with intramolecular charge-transferThis paper is Molecular Saddles Part 10. For Part 9 see reference 5c.Electronic supplementary information (ESI) available: NOE spectra for compound 23. See http://www.rsc.org/suppdata/ob/b2/b211153p/","Organic & Biomolecular Chemistry","2003","1","3","511","","10.1039/b211153p","","","0.71073","MoKα","","0.0355","0.0305","","","0.0812","0.0846","","","","","","1.031","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151382","12.276","0.003","9.688","0.002","25.605","0.005","90","","100.73","0.01","90","","2992","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-{N-methylpyrrolo[3,4-d]-1,3-dithiol-2-ylidene}-10-{4,5- bis(butylsulfanyl)-1,3-dithiol-2-ylidene}-9,10-dihydroanthracene","","- C31 H31 N S6 -","- C31 H31 N S6 -","- C124 H124 N4 S24 -","4","1","","Christensen, Christian A.; Bryce, Martin R.; Batsanov, Andrei S.; Becher, Jan","New strategies and building blocks for functionalised 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene derivatives, including pyrrolo-annelated derivatives and π-extended systems with intramolecular charge-transferThis paper is Molecular Saddles Part 10. For Part 9 see reference 5c.Electronic supplementary information (ESI) available: NOE spectra for compound 23. See http://www.rsc.org/suppdata/ob/b2/b211153p/","Organic & Biomolecular Chemistry","2003","1","3","511","","10.1039/b211153p","","","0.71073","MoKα","","0.0717","0.0488","","","0.1169","0.1331","","","","","","1.019","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151383","11.413","0.017","13.296","0.017","32.14","0.04","81.631","0.01","81.645","0.01","67.077","0.01","4423","10","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C81.5 H93 Cl4 I4 N0 O11.5 -","- C81.5 H77 Cl4 I4 O11.49 -","- C163 H154 Cl8 I8 O22.98 -","2","1","","Matthews, Susan E.; Felix, Vitor; Drew, Michael G. B.; Beer, Paul D.","Halo-Derivatised Calix[4]tubes","Organic & Biomolecular Chemistry","2003","1","7","1232","","10.1039/b211303a","","","0.71073","MoKα","","0.1154","0.0905","","","0.2436","0.2674","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151384","32.85","0.04","13.692","0.019","47.55","0.06","90","","98.546","0.01","90","","21150","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C109 H114 Br4 O7 -","- C96 H101 Br4 O14 -","- C768 H808 Br32 O112 -","8","1","","Matthews, Susan E.; Felix, Vitor; Drew, Michael G. B.; Beer, Paul D.","Halo-Derivatised Calix[4]tubes","Organic & Biomolecular Chemistry","2003","1","7","1232","","10.1039/b211303a","","","0.71073","MoKα","","0.2825","0.1262","","","0.31","0.3511","","","","","","0.918","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151385","13.949","0.005","8.165","0.003","12.755","0.005","90","","117.15","0.007","90","","1292.6","0.8","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Oxo-2H-2-[N-(methylphenylhydrazono)]benzothiophene","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C60 H48 N8 O4 S4 -","4","1","","Zahra, Jalal A.; Abu Thaher, Bassam A.; El-Abadelah, Mustafa M.; Boese, Roland","An alternative synthesis of 2-(N-arylhydrazono)-1-benzothiophen-3-ones","Organic & Biomolecular Chemistry","2003","1","5","822","","10.1039/b211458p","","","0.71073","MoKα","","0.1283","0.0669","","","0.1423","0.1716","","","","","","0.935","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151386","15.1929","0.0006","7.2142","0.0003","7.2588","0.0003","90","","90","","90","","795.6","0.06","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1-(2-hydroxy-5-nitrophenyl)ethanone","1-(2-hydroxy-5-nitrophenyl)ethanone","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","1","","Hibbs, David E.; Overgaard, Jacob; Piltz, Ross O.","X‒N Charge density analysis of the hydrogen bonding motif in 1-(2-hydroxy-5-nitrophenyl)ethanoneElectronic supplementary information (ESI) available: multipole population coefficients and pseudoatom parameterization. See http://www.rsc.org/suppdata/ob/b2/b211683a/","Organic & Biomolecular Chemistry","2003","1","7","1191","","10.1039/b211683a","","neutron","1.235","Neutron","","0.0235","0.0226","","","0.0548","0.0554","","","","","","1.18","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151387","15.2399","","7.2338","","7.2773","","90","","90","","90","","802.267","","100","1","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","1-(2-hydroxy-5-nitrophenyl)ethanone","1-(2-hydroxy-5-nitrophenyl)ethanone","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","1","","Hibbs, David E.; Overgaard, Jacob; Piltz, Ross O.","X‒N Charge density analysis of the hydrogen bonding motif in 1-(2-hydroxy-5-nitrophenyl)ethanoneElectronic supplementary information (ESI) available: multipole population coefficients and pseudoatom parameterization. See http://www.rsc.org/suppdata/ob/b2/b211683a/","Organic & Biomolecular Chemistry","2003","1","7","1191","","10.1039/b211683a","","","0.71073","MoKα","","0.027","0.026","","","0.022","0.022","","","","","","2","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151388","12.031","0.005","14.718","0.007","9.702","0.003","107.6","0.03","102.69","0.03","68.07","0.03","1507.9","1.1","293.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H34 O5 -","- C38 H34 O5 -","- C76 H68 O10 -","2","1","","Yoshitake, Yasuyuki; Misaka, Junichi; Abe, Masaki; Yamasaki, Masatoshi; Eto, Masashi; Harano, Kazunobu","Carboxylic acid clathrate hosts of Diels‒Alder adducts of phencyclone and 2-alkenoic acids. Role of bidentate C‒H⋯O hydrogen bonds between the phenanthrene and carbonyl groups in host‒host networksElectronic supplementary information (ESI) available: structures and packing diagrams. See http://www.rsc.org/suppdata/ob/b2/b212129h/","Organic & Biomolecular Chemistry","2003","1","7","1240","","10.1039/b212129h","","","0.7107","MoKα","","","0","","","","0.0732","","","","","","1.608","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151389","11.899","0.001","13.792","0.001","11.684","0.001","98.192","0.008","111.951","0.007","67.864","0.007","1647.4","0.3","293.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C43 H36 O4 -","- C43 H36 O4 -","- C86 H72 O8 -","2","1","","Yoshitake, Yasuyuki; Misaka, Junichi; Abe, Masaki; Yamasaki, Masatoshi; Eto, Masashi; Harano, Kazunobu","Carboxylic acid clathrate hosts of Diels‒Alder adducts of phencyclone and 2-alkenoic acids. Role of bidentate C‒H⋯O hydrogen bonds between the phenanthrene and carbonyl groups in host‒host networksElectronic supplementary information (ESI) available: structures and packing diagrams. See http://www.rsc.org/suppdata/ob/b2/b212129h/","Organic & Biomolecular Chemistry","2003","1","7","1240","","10.1039/b212129h","","","0.7107","MoKα","","","0.04","","","","0.0705","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151390","11.882","0.005","12.857","0.003","10.411","0.005","98.94","0.03","104.64","0.04","63.49","0.02","1375.4","1","293.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N O3 -","- C34 H31 N O3 -","- C68 H62 N2 O6 -","2","1","","Yoshitake, Yasuyuki; Misaka, Junichi; Abe, Masaki; Yamasaki, Masatoshi; Eto, Masashi; Harano, Kazunobu","Carboxylic acid clathrate hosts of Diels‒Alder adducts of phencyclone and 2-alkenoic acids. Role of bidentate C‒H⋯O hydrogen bonds between the phenanthrene and carbonyl groups in host‒host networksElectronic supplementary information (ESI) available: structures and packing diagrams. See http://www.rsc.org/suppdata/ob/b2/b212129h/","Organic & Biomolecular Chemistry","2003","1","7","1240","","10.1039/b212129h","","","0.7107","MoKα","","","0.0532","","","","0.0914","","","","","","1.152","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151391","3.9188","0.0008","30.25","0.006","11.013","0.002","90","","100.187","0.004","90","","1284.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C68 H52 F4 O8 -","4","1","","Xu, Wei; Chen, Qing-Yun","A novel approach of cycloaddition of difluorocarbene to α,β-unsaturated aldehydes and ketones: synthesis of gem-difluorocyclopropyl ketones and 2-fluorofurans","Organic & Biomolecular Chemistry","2003","1","7","1151","","10.1039/b212232d","","","0.71073","MoKα","","0.0818","0.0425","","","0.0803","0.0905","","","","","","0.823","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151392","4.5249","0.0002","19.144","0.0009","13.5302","0.0004","90","","94.715","0.001","90","","1168.08","0.08","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","N-3,5-dichlorosalicylideneaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","","Fukuda, Hisatane; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Crystalline photochromism of N-salicylidene-2,6-dialkylanilines: advantage of 2,6-dialkyl substituents of aniline for preparation of photochromic Schiff base crystals","Organic & Biomolecular Chemistry","2003","1","9","1578","","10.1039/b212295b","","x-ray","0.71069","MoKα","","0.1217","0.1115","","","0.3221","0.3322","","","","","","1.17","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151393","12.717","0.001","9.179","0.003","13.527","0.002","90","","116.965","0.009","90","","1407.3","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","N-(3,5-dichlorosalicylidene)-2,6-dimethylaniline","","- C15 H13 Cl2 N O -","- C15 H13 Cl2 N O -","- C60 H52 Cl8 N4 O4 -","4","1","","Fukuda, Hisatane; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Crystalline photochromism of N-salicylidene-2,6-dialkylanilines: advantage of 2,6-dialkyl substituents of aniline for preparation of photochromic Schiff base crystals","Organic & Biomolecular Chemistry","2003","1","9","1578","","10.1039/b212295b","","x-ray","0.71073","MoKα","","0.0493","0.0344","","","0.0965","0.1056","","","","","","1.027","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151394","11.228","0.0007","14.8658","0.0008","22.7359","0.0013","90","","91.153","0.003","90","","3794.2","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-dichlorosalicylidene)-2,6-diisopropylaniline","","- C19 H21 Cl2 N O -","- C19 H21 Cl2 N O -","- C152 H168 Cl16 N8 O8 -","8","2","","Fukuda, Hisatane; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Crystalline photochromism of N-salicylidene-2,6-dialkylanilines: advantage of 2,6-dialkyl substituents of aniline for preparation of photochromic Schiff base crystals","Organic & Biomolecular Chemistry","2003","1","9","1578","","10.1039/b212295b","","x-ray","0.71069","MoKα","","0.0997","0.0614","","","0.1601","0.19","","","","","","1.06","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151395","13.805","0.0004","11.639","0.0003","15.6289","0.0004","90","","97.051","0.001","90","","2492.2","0.12","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-dichlorosalicylidene)-2,4,6-tri-tert-butylaniline","","- C25 H33 Cl2 N O -","- C25 H33 Cl2 N O -","- C100 H132 Cl8 N4 O4 -","4","1","","Fukuda, Hisatane; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Crystalline photochromism of N-salicylidene-2,6-dialkylanilines: advantage of 2,6-dialkyl substituents of aniline for preparation of photochromic Schiff base crystals","Organic & Biomolecular Chemistry","2003","1","9","1578","","10.1039/b212295b","","x-ray","0.71069","MoKα","","0.1867","0.0883","","","0.1711","0.2128","","","","","","1.104","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7151396","23.502","0.009","15.453","0.003","13.68","0.004","90","","118.66","0.02","90","","4360","2","296.2","","296.2","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C22 H54.123 Cl9.877 N6 O3.123 Pt Zn3 -","- C22 H48 Cl9.877 N6 O3.123 Pt Zn3 -","- C88 H192 Cl39.508 N24 O12.492 Pt4 Zn12 -","4","1","","Kylie N. Brown; Rodney J. Geue; Trevor W. Hambley; David C. R. Hockless; A. David Rae; Alan M. Sargeson","Specificity in template syntheses of hexaaza-macrobicyclic cages: [Pt(Me5-tricosatrieneN6)]4+ and [Pt(Me5-tricosaneN6)]4+","Org. Biomol. Chem.","2003","1","9","1598","1608","10.1039/b212326f","","","0.7107","MoKα","","0.038","0.0277","","0.0379","","0.0364","","","1.619","","","1.704","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151397","14.724","0.005","14.724","0.005","55.8","0.01","90","","90","","120","","10477","5","294.2","","294.2","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C22 H46 Cl7 N6 O2 Pt Zn1.5 -","- C22 H46.0002 Cl6.9999 N6 O2.0001 Pt Zn1.5 -","- C264 H552.002 Cl83.9988 N72 O24.0012 Pt12 Zn18 -","12","0.333333","","Kylie N. Brown; Rodney J. Geue; Trevor W. Hambley; David C. R. Hockless; A. David Rae; Alan M. Sargeson","Specificity in template syntheses of hexaaza-macrobicyclic cages: [Pt(Me5-tricosatrieneN6)]4+ and [Pt(Me5-tricosaneN6)]4+","Org. Biomol. Chem.","2003","1","9","1598","1608","10.1039/b212326f","","","0.7107","MoKα","","0.0622","0.0459","","0.102","","0.088","","","1.932","","","1.964","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151398","12.3217","0.0002","15.4829","0.0002","22.9369","0.0002","90","","90","","90","","4375.8","0.1","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 N4 O6 Si Zn -","- C49 H48 N4 O6 Si Zn -","- C196 H192 N16 O24 Si4 Zn4 -","4","1","","Felber, Beatrice; Calle, Carlos; Seiler, Paul; Schweiger, Arthur; Diederich, François","Dendritic metalloporphyrins with a distal H-bond donor as mimics of haemoglobinElectronic supplementary information (ESI) available: procedures for the synthesis of 1 and 5 and iron(ii) insertion into the dendritic porphyrins including full spectral characterisation and complete EPR characterisation of the complex 22·Co(dmim) and the corresponding oxygenated complex. See http://www.rsc.org/suppdata/ob/b2/b212468h/","Organic & Biomolecular Chemistry","2003","1","7","1090","","10.1039/b212468h","","","0.7107","MoKα","","0.0472","0.037","","","0.0765","0.0813","","","","","","1.036","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151399","18.827","0.004","5.097","0.001","16.083","0.003","90","","96.99","0.02","90","","1531.9","0.5","160","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 O5 -","- C15 H26 O5 -","- C60 H104 O20 -","4","1","","McCullough, Kevin J.; Tokuhara, Hidekazu; Masuyama, Araki; Nojima, Masatomo","New approaches to the synthesis of spiro-peroxylactones","Organic & Biomolecular Chemistry","2003","1","9","1522","","10.1039/b300342f","","","0.71073","MoKα","","0.0564","0.0417","","","0.1016","0.1125","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151400","9.726","0.003","18.482","0.005","11.049","0.003","90","","102.86","0.03","90","","1936.3","1","293","2","293","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","PNOX","","","- C24 H19 N O5 -","- C24 H19 N O5 -","- C96 H76 N4 O20 -","4","1","","Christophe Roussel; Rachid Fihi; Kabula Ciamala; Joël Vebrel; Touria Zair; Claude Riche","Spiroheterocycles from reaction of nitrones with methylene-γ-butyrolactones and some of their rearrangements","Org. Biomol. Chem.","2003","1","15","2689","2698","10.1039/b300628j","","","1.5418","CuKα","","0.0573","0.04","","0.1188","","0.1022","","","1.039","","","1.071","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151401","7.474","0.004","12.744","0.004","15.237","0.003","90","","91.49","0.03","90","","1450.8","0.9","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl2 O2 -","- C16 H12 Cl2 O2 -","- C64 H48 Cl8 O8 -","4","1","","Lee T. Boulton; Ian C. Lennon; Raymond McCague","Asymmetric hydrogenation of a 4,4-diaryl-3-butenoate; a novel approach to sertraline","Org. Biomol. Chem.","2003","1","7","1094","1096","10.1039/b301175p","","","0.7107","MoKα","","0.157","0.0575","","","0.0906","0.1135","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151402","8.266","0.0005","8.644","0.0006","12.532","0.001","80.053","0.003","81.737","0.003","75.392","0.003","848.73","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1,4,7,10,13-pentaoxacyclopentadecane ethanedithioamide clathrate","1,4,7,10,13-pentaoxacyclopentadecane ethanedithioamide clathrate","","- C12 H24 N2 O5 S2 -","- C12 H24 N2 O5 S2 -","- C24 H48 N4 O10 S4 -","2","1","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.71073","MoKα","","0.1092","0.0938","","","0.2308","0.2389","","","","","","1.122","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7151403","23.72","0.0001","7.655","0.0002","18.364","0.0003","90","","106.981","0.0006","90","","3189.1","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","cis-syn-cis (A) isomer (2,3,11,12-dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane bis(ethanedithioamide) clathrate","cis-syn-cis (A) isomer (2,3,11,12-dicyclohexano-1,4,7,10,13,16- hexaoxacyclooctadecane bis(ethanedithioamide) clathrate","","- C24 H44 N4 O6 S4 -","- C24 H44 N4 O6 S4 -","- C96 H176 N16 O24 S16 -","4","0.5","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.7107","MoKα","","0.0582","0.0424","","","0.0966","0.1033","","","","","","1.067","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151404","12.654","0.003","7.57","0.0015","17.129","0.003","90","","106.14","0.03","90","","1576.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-anti-cis (B) isomer (2,3,11,12-dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane bis(ethanedithioamide) clathrate","cis-anti-cis (B) isomer (2,3,11,12-dicyclohexano-1,4,7,10,13,16- hexaoxacyclooctadecane bis(ethanedithioamide) clathrate","","- C24 H44 N4 O6 S4 -","- C24 H44 N4 O6 S4 -","- C48 H88 N8 O12 S8 -","2","0.5","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.71073","MoKα","","0.0494","0.0421","","","0.1103","0.1144","","","","","","1.097","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151405","14.196","0.003","7.187","0.002","19.552","0.003","90","","92.18","0.02","90","","1993.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4,7,10,13,16-hexaoxacyclooctadecane N,N'- (thiocarbamoyl)hydrazine clathrate","1,4,7,10,13,16-hexaoxacyclooctadecane N,N'-(thiocarbamoyl)hydrazine clathrate","","- C14 H30 N4 O6 S2 -","- C14 H30 N4 O6 S2 -","- C56 H120 N16 O24 S8 -","4","1","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.7107","MoKα","","0.0452","0.0334","","","0.0746","0.0782","","","","","","1.023","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151406","12.489","0.002","7.509","0.002","14.639","0.003","90","","93.61","0.03","90","","1370.1","0.5","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","cis-anti-cis isomer (B) (2,3,11,12-dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane N,N'-(thiocarbamoyl)hydrazine clathrate","cis-anti-cis isomer (B) (2,3,11,12-dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane N,N'-(thiocarbamoyl)hydrazine clathrate","","- C22 H42 N4 O6 S2 -","- C22 H42 N4 O6 S2 -","- C44 H84 N8 O12 S4 -","2","1","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.71073","MoKα","","0.0315","0.0303","","","0.0789","0.0796","","","","","","1.067","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151407","13.632","0.003","9.475","0.002","19.185","0.004","90","","90","","90","","2478","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,4,7,10,13-pentaoxacyclopentadecane bis(N,N'- (thiocarbamoyl)hydrazine) clathrate","1,4,7,10,13-pentaoxacyclopentadecane bis[N,N'-(thiocarbamoyl)hydrazine] clathrate","","- C14 H32 N8 O5 S4 -","- C14 H32 N8 O5 S4 -","- C56 H128 N32 O20 S16 -","4","0.5","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.71073","MoKα","","0.0519","0.0411","","","0.0917","0.0971","","","","","","1.079","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151408","18.475","0.004","18.445","0.004","9.443","0.002","90","","90","0.03","90","","3217.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4,7,10-tetraoxacyclododecane N,N'-(thiocarbamoyl)hydrazine clathrate","1,4,7,10-tetraoxacyclododecane N,N'-(thiocarbamoyl)hydrazine clathrate","","- C10 H22 N4 O4 S2 -","- C10 H22 N4 O4 S2 -","- C80 H176 N32 O32 S16 -","8","2","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.71073","MoKα","","0.0448","0.0343","","","0.079","0.0828","","","","","","0.926","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151409","12.419","0.001","10.721","0.001","9.853","0.001","90","","90","","90","","1311.9","0.2","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C48 H52 N4 O12 S4 -","4","1","","Jackson, Richard F. W.; Dunn, Sara F. C.; McCamley, Andrew; Clegg, William","Synthesis and crystal structures of 2-substituted-2-phenylsulfonyloxiranes: evidence for a generalised anomeric effect in 2-phenylsulfonyloxiranesElectronic supplementary information (ESI) available: PDB files of the crystal structures of compounds 5, 6b and 7. See http://www.rsc.org/suppdata/ob/b3/b301409f/","Organic & Biomolecular Chemistry","2003","1","14","2527","","10.1039/b301409f","","","1.54184","CuKα","","0.061","0.0605","","","0.16","0.1609","","","","","","1.09","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151410","9.117","0.001","14.592","0.002","25.69","0.004","90","","90","","90","","3417.7","0.8","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O4 S2 -","- C17 H18 O4 S2 -","- C136 H144 O32 S16 -","8","1","","Jackson, Richard F. W.; Dunn, Sara F. C.; McCamley, Andrew; Clegg, William","Synthesis and crystal structures of 2-substituted-2-phenylsulfonyloxiranes: evidence for a generalised anomeric effect in 2-phenylsulfonyloxiranesElectronic supplementary information (ESI) available: PDB files of the crystal structures of compounds 5, 6b and 7. See http://www.rsc.org/suppdata/ob/b3/b301409f/","Organic & Biomolecular Chemistry","2003","1","14","2527","","10.1039/b301409f","","","0.71073","MoKα","","0.0614","0.0353","","","0.0878","0.1018","","","","","","1.064","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151411","9.399","0.001","14.683","0.001","25.747","0.003","90","","90","","90","","3553.2","0.6","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O5 S2 -","- C17 H18 O5 S2 -","- C136 H144 O40 S16 -","8","1","","Jackson, Richard F. W.; Dunn, Sara F. C.; McCamley, Andrew; Clegg, William","Synthesis and crystal structures of 2-substituted-2-phenylsulfonyloxiranes: evidence for a generalised anomeric effect in 2-phenylsulfonyloxiranesElectronic supplementary information (ESI) available: PDB files of the crystal structures of compounds 5, 6b and 7. See http://www.rsc.org/suppdata/ob/b3/b301409f/","Organic & Biomolecular Chemistry","2003","1","14","2527","","10.1039/b301409f","","","0.71073","MoKα","","0.1736","0.062","","","0.1461","0.1974","","","","","","1.045","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151412","8.519","0.001","9.782","0.001","18.631","0.002","90","","90","","90","","1552.6","0.3","294","1","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-OXO-4B,6B-DIYL-S(S)-CYCLIC SULPHITE","1-OXO-4B,6B-DIYL-S(S)-CYCLIC SULPHITE","","- C15 H24 O4 S -","- C15 H24 O4 S -","- C60 H96 O16 S4 -","4","1","","Andrés García-Granados; María C. Gutiérrez; Francisco Rivas","Improved microbiological hydroxylation of sesquiterpenoids: semisynthesis, structural determination and biotransformation studies of cyclic sulfite eudesmane derivatives","Org. Biomol. Chem.","2003","1","13","2314","2320","10.1039/b301577g","","","0.71073","MoKα","","0.0535","0.0409","","","0.1006","0.1086","","","","","","1.028","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151413","9.321","0.002","7.996","0.002","11.132","0.002","90","","106.32","0.03","90","","796.2","0.3","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","1-OXO-4B,6B-DIYL-S(R)-CYCLIC SULPHITE","1-OXO-4B,6B-DIYL-S(R)-CYCLIC SULPHITE","","- C15 H24 O4 S -","- C15 H24 O4 S -","- C30 H48 O8 S2 -","2","1","","Andrés García-Granados; María C. Gutiérrez; Francisco Rivas","Improved microbiological hydroxylation of sesquiterpenoids: semisynthesis, structural determination and biotransformation studies of cyclic sulfite eudesmane derivatives","Org. Biomol. Chem.","2003","1","13","2314","2320","10.1039/b301577g","","","0.71073","MoKα","","0.105","0.0672","","","0.1455","0.173","","","","","","1.167","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151414","6.751","0.002","24.363","0.009","8.091","0.001","90","","101.75","0.02","90","","1302.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H17 F2 O5 P -","- C8 H17 F2 O5 P -","- C32 H68 F8 O20 P4 -","4","1","","Arnaud Henry-dit-Quesnel; Loic Toupet; Jean-Claude Pommelet; Thierry Lequeux","A difluorosulfide as a Freon-free source of phosphonodifluoromethyl carbanion","Org. Biomol. Chem.","2003","1","14","2486","2491","10.1039/b301729j","","","0.71069","MoKα","","0.0664","0.0446","","","0.124","0.1349","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151415","10.5516","0.0006","26.343","0.002","11.8322","0.0009","90","","101.243","0.005","90","","3225.8","0.4","213.1","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 -","- C42 H34 -","- C168 H136 -","4","1","","Toyota, Shinji; Iida, Taku; Kunizane, Chinatsu; Tanifuji, Naoki; Yoshida, Yukihiro","Rotational isomerism involving an acetylenic carbon IV: synthesis and structure of bis(1,1';3',1''-terphenyl-2'-yl)ethynes: molecular design of sterically congested alkynes toward restricted rotation about acetylenic axis","Organic & Biomolecular Chemistry","2003","1","13","2298","2302","10.1039/b302016a","","","0.7107","MoKα","","","0.053","","","","0.152","","","","","","1.028","","","","has coordinates","275253","2022-05-09","02:22:47",""
"7151416","12.818","0.007","10.012","0.005","29.263","0.014","90","","90","","90","","3755","3","115","2","115","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H24 O2 Si2 -","- C16 H24 O2 Si2 -","- C128 H192 O16 Si16 -","8","2","","Sankararaman, Sethuraman; Srinivasan, Manivannan","Synthesis of differentially protected/functionalised acetylenic building blocks from p-benzoquinone and their use in the synthesis of new enediynesElectronic supplementary information (ESI) available: 400 MHz 1H NMR and 13C NMR spectra. See http://www.rsc.org/suppdata/ob/b3/b302323k/","Organic & Biomolecular Chemistry","2003","1","13","2388","","10.1039/b302323k","","","0.71073","MoKα","","0.159","0.0757","","","0.1745","0.2075","","","","","","0.846","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151417","12.9389","0.0002","11.7515","0.0003","16.957","0.0004","90","","111.055","0.0008","90","","2406.2","0.09","200","","","","","","","","","","Local laboratory","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H34 O3 Si -","- C27 H34 O3 Si -","- C108 H136 O12 Si4 -","4","1","","Chaplin, Jason H.; Edwards, Alison J.; Flynn, Bernard L.","An enantioselective double Diels?Alder approach to the tetracyclic framework of colombiasin AElectronic supplementary information (ESI) available: Detailed procedures for the preparation of all compounds and their spectral data. See http://www.rsc.org/suppdata/ob/b3/b302522e/","Organic & Biomolecular Chemistry","2003","1","11","1842","","10.1039/b302522e","","","0.71073","MoKα","","","0.0349","","","","0.0409","","","","","","1.0528","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151418","37.608","0.006","8.6937","0.0014","15.053","0.003","90","","99.163","0.003","90","","4858.8","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,2-Di(methoxycarbonyl)-1,10b-dihydropyrolo(2,1-a)isoquinolin- 3-yl-(10H-phenothiazin-10-yl)-1-methanone","1,2-Di(methoxycarbonyl)-1,10b-dihydropyrolo[2,1-a]isoquinolin-3-yl- (10H-phenothiazin-10-yl)-1-methanone","","- C29 H22 N2 O5 S -","- C29 H22 N2 O5 S -","- C232 H176 N16 O40 S8 -","8","1","","Elena Bâcu; Dalila Samson-Belei; Guy Nowogrocki; Axel Couture; Pierre Grandclaudon","Benzoindolizine derivatives of N-acylphenothiazine. Synthesis and characterization","Org. Biomol. Chem.","2003","1","13","2377","2382","10.1039/b302662k","","","0.71073","MoKα","","0.0611","0.0459","","","0.1219","0.1295","","","","","","1.121","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151419","20.18","0.004","18.259","0.004","14.878","0.003","90","","125.498","0.003","90","","4463.1","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1-ethoxycarbonyl-2,3-dihydropyrolo(2,1-a)isoquinolin-3-yl- (10H-phenothiazin-10-yl)-1-methanone","1-ethoxycarbonyl-2,3-dihydropyrolo[2,1-a]isoquinolin-3-yl- (10H-phenothiazin-10-yl)-1-methanone","","- C28 H22 N2 O3 S -","- C28 H22 N2 O3 S -","- C224 H176 N16 O24 S8 -","8","1","","Elena Bâcu; Dalila Samson-Belei; Guy Nowogrocki; Axel Couture; Pierre Grandclaudon","Benzoindolizine derivatives of N-acylphenothiazine. Synthesis and characterization","Org. Biomol. Chem.","2003","1","13","2377","2382","10.1039/b302662k","","","0.71073","MoKα","","0.0705","0.0501","","","0.1291","0.1394","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151420","11.16","0.004","28.552","0.009","9.773","0.004","90","","108.615","0.005","90","","2951.2","1.9","173.2","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H23 Cl2 F6 N2 O2 P S -","- C32 H23 Cl F6 N O P S -","- C128 H92 Cl4 F24 N4 O4 P4 S4 -","4","1","","Ito, Shunji; Kubo, Takahiro; Kondo, Mao; Kabuto, Chizuko; Morita, Noboru; Asao, Toyonobu; Fujimori, Kunihide; Watanabe, Masataka; Harada, Nobuyuki; Yasunami, Masafumi","Synthesis, stability and bonding situation of tris-, bis- and mono[9-(azuleno[1,2-b]thienyl)]methyl cationsElectronic supplementary information (ESI) available: CV waves of compounds 7a, 8a and 9a, redox details of compounds 7a,b, 8a,b, and 9a,b along with those of 4a, 5a and 6a, ORTEP drawings and details of the X-ray analyses of compounds 2b and 9b and NMR details of the compounds reported. See http://www.rsc.org/suppdata/ob/b3/b302688d/","Organic & Biomolecular Chemistry","2003","1","14","2572","","10.1039/b302688d","","","0.7107","MoKα","","0.0692","0.0411","","","0.0816","0.0916","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151421","9.228","0.004","6.064","0.002","22.113","0.009","90","","106.348","0.005","90","","1187.4","0.8","173.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 S -","- C15 H14 S -","- C60 H56 S4 -","4","1","","Ito, Shunji; Kubo, Takahiro; Kondo, Mao; Kabuto, Chizuko; Morita, Noboru; Asao, Toyonobu; Fujimori, Kunihide; Watanabe, Masataka; Harada, Nobuyuki; Yasunami, Masafumi","Synthesis, stability and bonding situation of tris-, bis- and mono[9-(azuleno[1,2-b]thienyl)]methyl cationsElectronic supplementary information (ESI) available: CV waves of compounds 7a, 8a and 9a, redox details of compounds 7a,b, 8a,b, and 9a,b along with those of 4a, 5a and 6a, ORTEP drawings and details of the X-ray analyses of compounds 2b and 9b and NMR details of the compounds reported. See http://www.rsc.org/suppdata/ob/b3/b302688d/","Organic & Biomolecular Chemistry","2003","1","14","2572","","10.1039/b302688d","","","0.7107","MoKα","","0.0458","0.0356","","","0.0873","0.0928","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151422","10.031","0.003","27.595","0.006","11.908","0.005","90","","124.13","0.05","90","","2728","2","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2- thienyl)pyrrole/toluene complex","","","- C63 H30 N14 S4 -","- C63 H22 N14 S4 -","- C126 H44 N28 S8 -","2","0.5","","Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji","Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest","Organic & Biomolecular Chemistry","2003","1","21","3845","","10.1039/b302689b","","","1.5418","CuKα","","0.077","0.051","","0.116","0.11","0.111","","","1.457","1.012","1.012","1.022","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151423","9.935","0.003","27.547","0.01","12.211","0.006","90","","124.93","0.05","90","","2740","3","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2-thienyl)pyrrole/p- xylene complex","","","- C64 H32 N14 S4 -","- C64 H32 N14 S4 -","- C128 H64 N28 S8 -","2","0.5","","Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji","Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest","Organic & Biomolecular Chemistry","2003","1","21","3845","","10.1039/b302689b","","","1.54178","CuKα","","0.112","0.061","","0.153","0.132","0.134","","","2.516","0.978","0.978","1.018","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151424","9.979","0.003","27.55","0.006","12.035","0.005","90","","124.31","0.05","90","","2733","2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2- thienyl)pyrrole/anisole complex","","","- C63 H30 N14 O S4 -","- C63.6 H22 N14 O1.3 S4 -","- C127.2 H44 N28 O2.6 S8 -","2","0.5","","Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji","Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest","Organic & Biomolecular Chemistry","2003","1","21","3845","","10.1039/b302689b","","","1.54178","CuKα","","0.059","0.042","","0.089","0.087","0.087","","","1.44","1.008","1.008","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151425","12.38","0.007","27.61","0.02","16.338","0.01","90","","93.22","0.05","90","","5576","6","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2-thienyl)pyrrole/m- dimethoxybenzene complex","","","- C64 H32 N14 O2 S4 -","- C64 H32 N14 O2 S4 -","- C256 H128 N56 O8 S16 -","4","1","","Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji","Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest","Organic & Biomolecular Chemistry","2003","1","21","3845","","10.1039/b302689b","","","1.54178","CuKα","","0.089","0.053","","0.117","0.11","0.111","","","1.615","1.001","1.001","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151426","9.829","0.005","27.691","0.01","12.488","0.007","90","","125.32","0.06","90","","2773","3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2-thienyl)pyrrole/p- dimethoxybenzene complex","","","- C64 H32 N14 O2 S4 -","- C64 H32 N14 O2 S4 -","- C128 H64 N28 O4 S8 -","2","0.5","","Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji","Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest","Organic & Biomolecular Chemistry","2003","1","21","3845","","10.1039/b302689b","","","1.54178","CuKα","","0.064","0.045","","0.091","0.088","0.089","","","1.568","1.004","1.004","1.003","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151427","10.168","0.006","27.708","0.012","11.785","0.011","90","","124.03","0.09","90","","2752","4","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2-thienyl)pyrrole/indene complex","","","- C65 H30 N14 S4 -","- C65 H22 N14 S4 -","- C130 H44 N28 S8 -","2","0.5","","Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji","Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest","Organic & Biomolecular Chemistry","2003","1","21","3845","","10.1039/b302689b","","","1.54178","CuKα","","0.079","0.064","","0.213","0.212","0.212","","","1.428","1.011","1.011","1.006","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151428","15.087","0.002","6.443","0.002","16.736","0.002","90","","106.84","0.01","90","","1557.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 S2 -","- C16 H17 N O3 S2 -","- C64 H68 N4 O12 S8 -","4","1","","Aggarwal, Varinder K.; Grainger, Richard S.; Newton, Gary K.; Spargo, Peter L.; Hobson, Adrian D.; Adams, Harry","Highly diastereoselective 1,3-dipolar cycloaddition reactions of trans-2-methylene-1,3-dithiolane 1,3-dioxide with 3-oxidopyridinium and 3-oxidopyrylium betaines: a route to the tropane skeleton","Organic & Biomolecular Chemistry","2003","1","11","1884","","10.1039/b302834h","","","0.71073","MoKα","","0.0538","0.0418","","0.1117","0.103","","","","1.075","1.109","1.109","","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151429","21.864","0.009","6.091","0.003","20.852","0.009","90","","109.83","0.03","90","","2612","2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C112 H176 O32 -","8","1","","Jean-François Berrien; Olivier Provot; Joëlle Mayrargue; Michel Coquillay; Liliane Cicéron; Frédérick Gay; Martin Danis; Anne Robert; Bernard Meunier","Alkylation of manganese(II) tetraphenylporphyrin by a synthetic antimalarial trioxane","Org. Biomol. Chem.","2003","1","16","2859","2864","10.1039/b302835f","","","0.71073","MoKα","","0.1045","0.0502","","","0.13","0.1542","","","","","","1.013","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151430","19.555","0.003","19.555","0.003","15.475","0.004","90","","90","","120","","5124.8","1.7","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C30 H39 N3 O6 S3 -","- C30 H39 N3 O6 S3 -","- C180 H234 N18 O36 S18 -","6","1","","Stones, Graham; Argouarch, Gilles; Kennedy, Alan R.; Sherrington, David C.; Gibson, Colin L.","The synthesis of an isopropyl substituted 1,4,7-triazacyclononane via an in situ sequential macrocyclisation method","Organic & Biomolecular Chemistry","2003","1","13","2357","","10.1039/b302887a","","","0.71069","MoKα","","0.1141","0.046","","","0.1105","0.1292","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151431","8.375","0.001","7.653","0.001","9.691","0.001","90","","100.634","0.001","90","","610.47","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(3aS,11bS,11cR)-3a,4,5,11c-Tetrahydro-10b-hydroxy-furo-(3',2':3,4) pyrido(2,1-a)isoindol-2(1H),7(11bH)-dione","(3aS,11bS,11cR)-3a,4,5,11c-Tetrahydro-10b-hydroxy-furo-[3',2' :3,4] pyrido[2,1-a]isoindol-2(1H),7(11bH)-dione","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C28 H26 N2 O8 -","2","1","","Hunter, Roger; Richards, Philip","Stereoselective tetrapyrido[2,1-a]isoindolone synthesis via carbanionic and radical intermediates: a model study for the Tacaman alkaloid D/E ring fusionElectronic supplementary information (ESI) available: Experimental details for compounds 21?23. See http://www.rsc.org/suppdata/ob/b3/b303031h/","Organic & Biomolecular Chemistry","2003","1","13","2348","","10.1039/b303031h","","","0.71073","MoKα","","0.0338","0.0291","","","0.0675","0.0701","","","","","","1.032","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7151432","12.579","0.002","11.92","0.002","12.202","0.002","90","","92.68","0.01","90","","1827.6","0.5","293.2","","293.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","?","- C24 H14 N2 Te -","- C96 H56 N8 Te4 -","4","1","","Levy, Amalia; Cohen, Shmuel; Agranat, Israel","Overcrowded 1,8-diazafluorenylidene-chalcoxanthenes. Introducing nitrogens at the fjord regions of bistricyclic aromatic enes","Organic & Biomolecular Chemistry","2003","1","15","2755","","10.1039/b303041e","","","0.7107","MoKalpha","","","0.047","","","0.065","","","","","2.08","2.08","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151433","18.713","0.003","9.553","0.002","4.831","0.001","90","","90","","90","","863.6","0.3","293.2","","293.2","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","?","- C24 H14 N2 Se -","- C48 H28 N4 Se2 -","2","0.5","","Levy, Amalia; Cohen, Shmuel; Agranat, Israel","Overcrowded 1,8-diazafluorenylidene-chalcoxanthenes. Introducing nitrogens at the fjord regions of bistricyclic aromatic enes","Organic & Biomolecular Chemistry","2003","1","15","2755","","10.1039/b303041e","","","0.7107","MoKalpha","","","0.036","","","0.042","","","","","1.4","1.4","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151434","18.811","0.004","9.702","0.003","4.639","0.001","90","","90","","90","","846.6","0.4","293.2","","293.2","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","?","- C24 H14 N2 S -","- C48 H28 N4 S2 -","2","0.5","","Levy, Amalia; Cohen, Shmuel; Agranat, Israel","Overcrowded 1,8-diazafluorenylidene-chalcoxanthenes. Introducing nitrogens at the fjord regions of bistricyclic aromatic enes","Organic & Biomolecular Chemistry","2003","1","15","2755","","10.1039/b303041e","","","1.5418","CuKalpha","","","0.038","","","0.05","","","","","2.7","2.7","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151435","7.448","0.001","15.243","0.001","31.849","0.001","90","","90","","90","","3615.8","0.6","293","2","293","2","","","","","","","","3","P c n b","-P 2b 2ac","60","","bisnaphthalene-2,3-diol 2,3-di(p-methylbenzoyloxy)naphthalene complex","","- C46 H36 O8 -","- C46 H36 O8 -","- C184 H144 O32 -","4","0.5","","Nakamatsu, Seiken; Yoshizawa, Kazuhiro; Toyota, Sinji; Toda, Fumio; Matijasic, Ivanka","Isolation of an inclusion complex of naphthol and its benzoate as an intermediate in the solvent-free benzoylation reaction of naphthol","Organic & Biomolecular Chemistry","2003","1","13","2231","","10.1039/b303060c","","","1.5418","CuKα","","0.058","0.0434","","","0.116","0.1272","","","","","","1.027","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151436","17.7588","0.001","7.8904","0.0004","13.1044","0.0007","90","","91.161","0.003","90","","1835.86","0.17","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 O8 -","- C18 H30 O8 -","- C72 H120 O32 -","4","0.5","","Bartlett, Stephen; Hodgson, Robert; Holland, Joanne M.; Jones, Matthew; Kilner, Colin; Nelson, Adam; Warriner, Stuart","Exploiting predisposition in the stereoselective synthesis of mono-, bi- and tetracyclic oxygen heterocycles: Equilibration between, and trapping of, alternative di- and tetraacetals","Organic & Biomolecular Chemistry","2003","1","13","2393","","10.1039/b303089j","","","0.71073","MoKα","","0.068","0.0481","","","0.1274","0.1395","","","","","","1.05","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151437","10.5524","0.0002","10.8377","0.0002","16.4357","0.0004","90","","101.829","0.0008","90","","1839.73","0.07","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3E,4E)-4-(dimethylamino)-5-[(E)-phenyldiazenyl]pent-4-ene-2,3-dione 3-(phenylhydrazone)","","- C19 H21 N5 O -","- C19 H21 N5 O -","- C76 H84 N20 O4 -","4","1","","Petr Šimůnek; Valerio Bertolasi; Antonín Lyčka; Vladimír Macháček","An NMR and X-ray study of the structure of the azo coupling product of 4-dimethylaminopent-3-en-2-one and benzenediazonium-tetrafluoroborate","Org. Biomol. Chem.","2003","1","18","3250","3256","10.1039/b303206j","","","0.7107","MoKα","","0.0873","0.054","","","0.1307","0.1634","","","","","","1.078","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151438","9.2515","0.0001","28.6084","0.0004","9.4481","0.0001","90","","99.928","0.0006","90","","2463.19","0.05","150","","150","","","","","","","","?","4","P 1 21 1","P 2yb","4","","","","- C27 H20 N2 O4 -","- C27 H32 N2 O4 -","- C108 H128 N8 O16 -","4","2","","Elena Buñuel; Steven D. Bull; Stephen G. Davies; A. Christopher Garner; Edward D. Savory; Andrew D. Smith; Richard J. Vickers; David J. Watkin","Asymmetric synthesis of substituted 1-aminocyclopropane-1-carboxylic acids via diketopiperazine methodology","Org. Biomol. Chem.","2003","1","14","2531","2542","10.1039/b303348a","","","0.71073","MoKα","","0.0657","0.0657","","0.1407","0.1407","0.1407","","","","","","0.9234","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151439","10.4793","0.0002","10.531","0.0003","12.038","0.0004","90","","96.237","0.001","90","","1320.62","0.06","190","","190","","","","","","","","?","4","P 1 21 1","P 2yb","4","","(1S,3R,6S)-4,7-bis(4-methoxybenzyl)-6-isopropyl-1-phenyl-4,7-diaza- spiro[2.5]octane-5,8-dione","","- C31 H34 N2 O4 -","- C31 H34 N2 O4 -","- C62 H68 N4 O8 -","2","1","","Elena Buñuel; Steven D. Bull; Stephen G. Davies; A. Christopher Garner; Edward D. Savory; Andrew D. Smith; Richard J. Vickers; David J. Watkin","Asymmetric synthesis of substituted 1-aminocyclopropane-1-carboxylic acids via diketopiperazine methodology","Org. Biomol. Chem.","2003","1","14","2531","2542","10.1039/b303348a","","","0.71073","MoKα","","","0.0507","","","","0.0496","","","","","","1.0366","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151440","10.066","0.001","12.92","0.002","19.424","0.002","90","","90","","90","","2526.1","0.5","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CuCl2(1-Np-box)","2,2'-Isopropylidenebis(4-(1-naphthyl)-2-oxazoline) -copper-dichloride","","- C29 H26 Cl2 Cu N2 O2 -","- C29 H26 Cl2 Cu N2 O2 -","- C116 H104 Cl8 Cu4 N8 O8 -","4","1","","Hester L. van Lingen; Wei Zhuang; Tore Hansen; Floris P. J. T. Rutjes; Karl Anker Jørgensen","Formation of optically active chromanes by catalytic asymmetric tandem oxa-Michael addition‒Friedel‒Crafts alkylation reactions","Org. Biomol. Chem.","2003","1","11","1953","1958","10.1039/b303353h","","","0.71073","MoKα","","","0.028","","","","0.035","","","","","","1.21","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151441","10.2389","0.0009","13.089","0.001","19.466","0.002","90","","90","","90","","2608.8","0.4","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CuBr2(1-Np-box)","2,2'-Isopropylidenebis(4-(1-naphthyl)-2-oxazoline) -copper-dibromide","","- C29 H26 Br2 Cu N2 O2 -","- C29 H26 Br2 Cu N2 O2 -","- C116 H104 Br8 Cu4 N8 O8 -","4","1","","Hester L. van Lingen; Wei Zhuang; Tore Hansen; Floris P. J. T. Rutjes; Karl Anker Jørgensen","Formation of optically active chromanes by catalytic asymmetric tandem oxa-Michael addition‒Friedel‒Crafts alkylation reactions","Org. Biomol. Chem.","2003","1","11","1953","1958","10.1039/b303353h","","","0.71073","MoKα","","","0.033","","","","0.035","","","","","","0.9","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151442","15.388","0.005","7.129","0.001","16.839","0.006","90","","112.56","0.03","90","","1705.9","0.9","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.061","0.0421","","","0.1032","0.1147","","","","","","1.046","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151443","16.441","0.002","5.981","0.002","18.722","0.002","90","","109.47","0.02","90","","1735.7","0.7","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","1.5418","CuKα","","0.0405","0.036","","","0.1014","0.1048","","","","","","1.012","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151444","9.654","0.001","6.026","0.002","13.044","0.002","90","","107.09","0.01","90","","725.3","0.3","130","0.2","130","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 Cl3 O2 -","- C12 H19 Cl3 O2 -","- C24 H38 Cl6 O4 -","2","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","1.5418","CuKα","","0.0382","0.0371","","","0.0966","0.0988","","","","","","0.846","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151445","6.9757","0.0003","36.6182","0.0008","7.0342","0.0002","90","","107.555","0.001","90","","1713.12","0.1","130","0.2","130","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Cl N O4 -","- C17 H22 Cl N O4 -","- C68 H88 Cl4 N4 O16 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.077","0.0417","","","0.0865","0.0947","","","","","","1.042","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151446","6.179","0.002","11.071","0.003","11.13","0.002","100.57","0.02","90.17","0.02","95.16","0.02","745.3","0.3","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C32 H46 N2 O6 -","2","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.0531","0.0439","","","0.1252","0.1332","","","","","","1.022","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151447","6.237","0.0001","12.7728","0.0002","20.4391","0.0004","90","","97.722","0.001","90","","1613.49","0.05","130","0.2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.0697","0.0463","","","0.0943","0.1033","","","","","","1.025","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151448","24.7358","0.0003","6.2022","0.0001","20.9387","0.0004","90","","100.487","0.001","90","","3158.68","0.09","130","2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O3 S -","- C16 H24 O3 S -","- C128 H192 O24 S8 -","8","2","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.0816","0.0443","","","0.0989","0.1112","","","","","","1.036","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151449","6.268","0.0014","10.409","0.0015","13.19","0.0019","94.3","0.011","95.04","0.015","98.83","0.015","843.6","0.3","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H26 O3 S -","- C17 H26 O3 S -","- C34 H52 O6 S2 -","2","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","1.5418","CuKα","","0.0442","0.0375","","","0.0954","0.1009","","","","","","1.055","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151450","6.767","0.002","9.556","0.003","10.887","0.003","99.43","0.03","90.68","0.02","105.38","0.02","668.5","0.4","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","1.5418","CuKα","","0.0359","0.0355","","","0.0896","0.0898","","","","","","1.045","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151451","29.1896","0.0006","7.0518","0.0001","15.415","0.0003","90","","93.717","0.001","90","","3166.34","0.1","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C136 H144 N16 O48 -","8","2","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.0797","0.0481","","","0.1377","0.168","","","","","","1.137","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151452","7.539","0.003","8.479","0.002","12.043","0.003","75.3","0.02","76.86","0.02","88.83","0.03","724.6","0.4","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C34 H38 N2 O8 -","2","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","1.5418","CuKα","","0.042","0.0402","","","0.1096","0.1113","","","","","","1.07","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151453","11.7354","0.0009","11.125","0.001","11.132","0.001","90","","104.382","0.007","90","","1407.8","0.2","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C64 H80 O12 S4 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","1.5418","CuKα","","0.0355","0.0308","","","0.0781","0.0813","","","","","","1.057","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151454","9","0.002","9.594","0.004","26.225","0.007","90","","90","","90","","2264.4","1.2","130","0.2","130","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H18 O3 S -","- C11 H18 O3 S -","- C88 H144 O24 S8 -","8","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.0545","0.0375","","","0.0918","0.1012","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151455","10.1245","0.0001","12.5511","0.0002","12.4094","0.0001","90","","106.86","0.001","90","","1509.13","0.03","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O3 S -","- C17 H22 O3 S -","- C68 H88 O12 S4 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.0436","0.0377","","","0.1143","0.1199","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151456","13.5954","0.0002","9.5961","0.0001","9.123","0.0002","90","","108.318","0.001","90","","1129.9","0.03","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 S2 -","- C11 H14 S2 -","- C44 H56 S8 -","4","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0573","0.0432","","","0.1086","0.1183","","","","","","1.026","","","","has coordinates,has disorder","180300","2020-10-21","18:00:00",""
"7151457","20.021","0.0017","20.021","0.0017","5.685","0.0006","90","","90","","90","","2278.8","0.4","200","2","200","2","","","","","","","","3","I -4","I -4","82","","","","- C11 H14 S2 -","- C11 H14 S2 -","- C88 H112 S16 -","8","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0674","0.0404","","","0.0758","0.0846","","","","","","1.02","","","","has coordinates,has disorder","180300","2020-10-21","18:00:00",""
"7151458","4.5402","0.0001","13.4819","0.0002","9.713","0.0002","90","","96.274","0.001","90","","590.98","0.02","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C12 H16 S2 -","- C12 H16 S2 -","- C24 H32 S4 -","2","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0254","0.0238","","","0.062","0.063","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151459","18.2162","0.0002","9.0748","0.0001","16.3181","0.0002","90","","103.177","0.001","90","","2626.49","0.05","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 S2 -","- C13 H18 S2 -","- C104 H144 S16 -","8","2","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0575","0.0379","","","0.0925","0.1098","","","","","","1.056","","","","has coordinates,has disorder","180300","2020-10-21","18:00:00",""
"7151460","9.1023","0.0002","16.8216","0.0003","9.1905","0.0002","90","","90","","90","","1407.21","0.05","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H20 S2 -","- C14 H20 S2 -","- C56 H80 S8 -","4","0.5","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0425","0.0337","","","0.0878","0.0943","","","","","","1.028","","","","has coordinates,has disorder","180300","2020-10-21","18:00:00",""
"7151461","14.4829","0.0002","10.9233","0.0002","9.0174","0.0001","90","","94.972","0.001","90","","1421.19","0.04","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 S2 -","- C14 H20 S2 -","- C56 H80 S8 -","4","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0368","0.0307","","","0.0802","0.0844","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151462","4.5938","0.0002","17.1826","0.0009","9.9664","0.0005","90","","93.166","0.001","90","","785.48","0.07","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H24 S2 -","- C16 H24 S2 -","- C32 H48 S4 -","2","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0416","0.0334","","","0.0786","0.0889","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151463","15.4224","0.0013","15.4224","0.0013","4.8824","0.0006","90","","90","","90","","1161.3","0.2","200","2","200","2","","","","","","","","3","P -4","P -4","81","","","","- C11 H14 Se2 -","- C11 H14 Se2 -","- C44 H56 Se8 -","4","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0563","0.0426","","","0.1026","0.1111","","","","","","1.074","","","","has coordinates,has disorder","180300","2020-10-21","18:00:00",""
"7151464","9.8259","0.0003","4.7316","0.0001","14.5466","0.0004","90","","103.726","0.001","90","","656.99","0.03","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 Te2 -","- C12 H16 Te2 -","- C24 H32 Te4 -","2","1","","Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf","Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions","Organic & Biomolecular Chemistry","2003","1","15","2788","","10.1039/b303653g","","","0.71073","MoKα","","0.0444","0.0335","","","0.079","0.0853","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151465","7.005","0.0002","12.8848","0.0004","13.7023","0.0005","91.151","0.001","94.66","0.001","90.007","0.002","1232.4","0.07","200","","200","","","","","","","","?","4","P -1","-P 1","2","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","2","","Easton, Christopher J.; Edwards, Alison J.; McNabb, Stephen B.; Merrett, Martin C.; O'Connell, Jenny L.; Simpson, Gregory W.; Simpson, Jamie S.; Willis, Anthony C.","Allylic halogenation of unsaturated amino acidsElectronic supplementary information (ESI) available: synthesis and characterisation of compounds 14?20 and 24?26. See http://www.rsc.org/suppdata/ob/b3/b303719c/","Organic & Biomolecular Chemistry","2003","1","14","2492","","10.1039/b303719c","","","0.71069","MoKα","","","0.0456","","","","0.0507","","","","","","1.0651","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151466","7.4491","0.0005","13.6937","0.001","13.8646","0.001","90","","91.317","0.003","90","","1413.9","0.17","200","","","","","","","","","","Local laboratory","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 Cl2 N O4 -","- C14 H11 Cl2 N O4 -","- C56 H44 Cl8 N4 O16 -","4","1","","Easton, Christopher J.; Edwards, Alison J.; McNabb, Stephen B.; Merrett, Martin C.; O'Connell, Jenny L.; Simpson, Gregory W.; Simpson, Jamie S.; Willis, Anthony C.","Allylic halogenation of unsaturated amino acidsElectronic supplementary information (ESI) available: synthesis and characterisation of compounds 14?20 and 24?26. See http://www.rsc.org/suppdata/ob/b3/b303719c/","Organic & Biomolecular Chemistry","2003","1","14","2492","","10.1039/b303719c","","","0.71073","MoKα","","","0.0864","","","","0.0944","","","","","","1.0057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151467","11.559","0.0003","11.8196","0.0003","15.3885","0.0004","90","","90","","90","","2102.42","0.09","150","","150","","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O7 -","- C21 H27 N O7 -","- C84 H108 N4 O28 -","4","1","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: versatile regioselective and diastereoselective synthesis by enamine reduction and subsequent alkylation","Organic & Biomolecular Chemistry","2003","1","11","1838","","10.1039/b303789d","","","0.71073","MoKα","","","0.0305","","","","0.0346","","","","","","1.0751","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151468","5.8063","0.0002","16.1078","0.0002","22.717","0.0004","90","","90","","90","","2124.65","0.09","150","","150","","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C88 H116 N4 O28 -","4","1","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: versatile regioselective and diastereoselective synthesis by enamine reduction and subsequent alkylation","Organic & Biomolecular Chemistry","2003","1","11","1838","","10.1039/b303789d","","","0.71073","MoKα","","","0.0414","","","","0.0492","","","","","","1.0012","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151469","6.9448","0.0005","20.84","0.0015","30.325","0.002","90","","90","","90","","4388.9","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Br Cl N O4 -","- C10 H15 Br Cl N O4 -","- C120 H180 Br12 Cl12 N12 O48 -","12","3","","Paul J. Dransfield; Paul M. Gore; Ivan Prokeš; Michael Shipman; Alexandra M. Z. Slawin","Preparation and reactivity of imino glycals: stereocontrolled, divergent approach to imino sugars","Org. Biomol. Chem.","2003","1","15","2723","2733","10.1039/b303817c","","","0.71073","MoKα","","0.081","0.0349","","","0.053","0.0606","","","","","","0.733","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151470","14.089","0.003","6.305","0.002","25.875","0.005","90","","90","","90","","2298.5","1","150","","150","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Anwar, Muhammed; Bailey, Jonathan H.; Dickinson, Laura C.; Edwards, Hermia J.; Goswami, Rajesh; Moloney, Mark G.","Pyrrolidinones derived from (S)-pyroglutamic acid: penmacric acid and analoguesPart V. For parts I?IV see refs. 20?22, 24","Organic & Biomolecular Chemistry","2003","1","13","2364","","10.1039/b303924b","","","1.5418","CuKα","","","0.1136","","","","0.1407","","","","","","0.9854","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151471","7.348","0.002","8.642","0.002","9.832","0.003","103.7","0.02","109.61","0.02","97.53","0.02","556.1","0.3","296","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C11 H13 Cl N2 O -","- C11 H13 Cl N2 O -","- C22 H26 Cl2 N4 O2 -","2","1","","Ebner, Sieglinde; Wallfisch, Bianca; Andraos, John; Aitbaev, Ilyas; Kiselewsky, Michael; Bernhardt, Paul V.; Kollenz, Gert; Wentrup, Curt","N-Aminopyrroledione?hydrazonoketene?pyrazolium oxide?pyrazolone rearrangements and pyrazolone tautomerismElectronic supplementary information (ESI) available: calculated and observed IR spectra of 8a and X-ray structure, packing diagram, bond lengths and angles for compound 14. See http://www.rsc.org/suppdata/ob/b3/b304070d","Organic & Biomolecular Chemistry","2003","1","14","2550","","10.1039/b304070d","","x-ray","0.71073","MoKα","","0.1272","0.0692","","","0.1896","0.2244","","","","","","1.063","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151472","7.2668","0.0007","8.1141","0.0009","12.9245","0.0015","87.864","0.009","80.786","0.009","84.422","0.009","748.5","0.14","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Br2 N2 O Zn -","- C13 H12 Br2 N2 O Zn -","- C26 H24 Br4 N4 O2 Zn2 -","2","1","","Merino, Pedro; Tejero, Tomas; Laguna, Mariano; Cerrada, Elena; Moreno, Ana; Lopez, Jose A.","An investigation of the Lewis acid mediated 1,3-dipolar cycloaddition between N-benzyl-C-(2-pyridyl)nitrone and allylic alcohol. Direct entry to isoxazolidinyl C-nucleosidesElectronic supplementary information (ESI) available: optimized geometries (PDB format). See http://www.rsc.org/suppdata/ob/b3/b304112c/","Organic & Biomolecular Chemistry","2003","1","13","2336","","10.1039/b304112c","","","0.71073","MoKα","","0.0513","0.0375","","","0.0942","0.1024","","","","","","1.028","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151473","10.978","0.002","11.643","0.002","12.334","0.002","100.93","0.01","100.53","0.02","111.47","0.01","1384.6","0.5","","","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H50 Ag2 Cl2 N4 O10 P2 -","- C52 H30 Ag2 Cl2 N4 O10 P2 -","- C52 H30 Ag2 Cl2 N4 O10 P2 -","1","0.5","","Merino, Pedro; Tejero, Tomas; Laguna, Mariano; Cerrada, Elena; Moreno, Ana; Lopez, Jose A.","An investigation of the Lewis acid mediated 1,3-dipolar cycloaddition between N-benzyl-C-(2-pyridyl)nitrone and allylic alcohol. Direct entry to isoxazolidinyl C-nucleosidesElectronic supplementary information (ESI) available: optimized geometries (PDB format). See http://www.rsc.org/suppdata/ob/b3/b304112c/","Organic & Biomolecular Chemistry","2003","1","13","2336","","10.1039/b304112c","","","0.71073","MoKα","","0.1401","0.0657","","","0.1415","0.1749","","","","","","1.023","","","","has coordinates,has disorder","180300","2020-10-21","18:00:00",""
"7151474","10.2189","0.0003","15.3206","0.0005","27.7208","0.0006","90","","90","","90","","4340","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N3 O5 -","- C15 H25 N3 O5 -","- C120 H200 N24 O40 -","8","2","","Hitchcock, Peter B.; Papadopoulos, Konstantinos; Young, Douglas W.","?-Lactams as versatile synthons for homochiral ibotenate analogues with potential for activity at glutamate receptors1","Organic & Biomolecular Chemistry","2003","1","15","2670","","10.1039/b304607a","","","0.71073","MoKα","","0.0793","0.0657","","","0.1961","0.2092","","","","","","1.065","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151475","8.994","0.002","8.994","0.002","43.134","0.006","90","","90","","120","","3021.7","1","293","2","293","2","","","","","","","synthesis as described","4","P 61","P 61","169","","","","- C18 H25 N O7 -","- C18 H25 N O7 -","- C108 H150 N6 O42 -","6","1","","Peter B. Hitchcock; Shazia Rahman (née Masood); Douglas W. Young","An alternative to the use of δ-lactam urethanes in the “ring switch” approach to higher homologues of AMPA-type glutamate antagonists","Org. Biomol. Chem.","2003","1","15","2682","2688","10.1039/b304609p","","x-ray","0.71073","MoKα","","0.0616","0.0451","","","0.1081","0.1198","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151476","7.3952","0.0004","22.4561","0.0011","13.7894","0.0009","90","","106.786","0.004","90","","2192.4","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Wood","","","- C2 K N O2 S2 -","- C2 K N O2 S2 -","- C32 K16 N16 O32 S32 -","16","4","","Wood, Mark E.; Cane-Honeysett, Daniel J.; Dowle, Michael D.; Coles, Simon J.; Hursthouse, Michael B.","Synthetic and structural studies on 1,2,4-dithiazolidine-3,5-dione derivatives","Organic & Biomolecular Chemistry","2003","1","17","3015","","10.1039/b305096c","","","0.71073","MoKα","","0.0952","0.0593","","","0.1596","0.1847","","","","","","1.131","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7151477","6.8589","0.0011","10.727","0.002","20.398","0.003","90","","90","","90","","1500.8","0.4","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C64 H104 O8 -","4","1","","Anderson, James C.; Blake, Alexander J.; Graham, Jonathan P.; Wilson, Claire","Investigation of the asymmetric ionic Diels?Alder reaction for the synthesis of cis-decalins","Organic & Biomolecular Chemistry","2003","1","16","2877","","10.1039/b305116a","","","0.71073","MoKα","","0.0485","0.0423","","","0.115","0.12","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151478","5.9429","0.001","12.548","0.002","20.128","0.004","90","","90","","90","","1501","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","1","","Anderson, James C.; Blake, Alexander J.; Graham, Jonathan P.; Wilson, Claire","Investigation of the asymmetric ionic Diels?Alder reaction for the synthesis of cis-decalins","Organic & Biomolecular Chemistry","2003","1","16","2877","","10.1039/b305116a","","","0.71073","MoKα","","0.0479","0.0365","","","0.0834","0.0876","","","","","","0.98","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151479","6.1489","0.0009","14.787","0.002","23.008","0.003","90","","90","","90","","2092","0.5","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","","Anderson, James C.; Blake, Alexander J.; Graham, Jonathan P.; Wilson, Claire","Investigation of the asymmetric ionic Diels?Alder reaction for the synthesis of cis-decalins","Organic & Biomolecular Chemistry","2003","1","16","2877","","10.1039/b305116a","","","0.71073","MoKα","","0.1432","0.0934","","","0.1562","0.1767","","","","","","1.129","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151480","14.28","0.0004","25.481","0.002","10.83","0.0003","92.549","0.008","111.862","0.003","85.841","0.009","3647","0.3","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H57 Cl N2 P2 S -","- C31 H57 Cl N2 P2 S -","- C124 H228 Cl4 N8 P8 S4 -","4","2","","Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki","Preparation, structure and coordination properties of 3,3-bis(diisopropylamino)-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene","Organic & Biomolecular Chemistry","2003","1","17","3054","","10.1039/b305216h","","","0.7107","MoKα","","","0.1372","","","","0.1851","","","","","","1.758","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151481","11.0215","0.0006","21.108","0.001","16.2925","0.0005","90","","92.524","0.002","90","","3786.6","0.3","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C31 H57 Cl3 N2 P2 Pt S -","- C31 H57 Cl3 N2 P2 Pt S -","- C124 H228 Cl12 N8 P8 Pt4 S4 -","4","1","","Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki","Preparation, structure and coordination properties of 3,3-bis(diisopropylamino)-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene","Organic & Biomolecular Chemistry","2003","1","17","3054","","10.1039/b305216h","","","0.7107","MoKα","","","0.0406","","","","0.0542","","","","","","1.571","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151482","20.7395","0.0007","16.555","0.0005","11.8561","0.0006","90","","90.06","0.002","90","","4070.7","0.3","296.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H61 Cl3 N2 P2 Pt S -","- C34.5 H57 Cl3 N2 P2 Pt S -","- C138 H228 Cl12 N8 P8 Pt4 S4 -","4","1","","Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki","Preparation, structure and coordination properties of 3,3-bis(diisopropylamino)-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene","Organic & Biomolecular Chemistry","2003","1","17","3054","","10.1039/b305216h","","","0.7107","MoKα","","","0.0555","","","","0.0651","","","","","","1.466","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151483","7.4271","0.0007","9.2771","0.0009","9.6627","0.0009","113.68","0.001","106.518","0.002","96.026","0.002","566.05","0.09","173","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Ihmels, Heiko; Faulhaber, Katja; Wissel, Kathrin; Viola, Giampietro; Vedaldi, Daniela","6-Aminoacridizinium bromide: a fluorescence probe which lights up in AT-rich regions of DNA","Organic & Biomolecular Chemistry","2003","1","17","2999","3001","10.1039/b305439j","","","0.71073","MoKα","","0.0466","0.046","","","0.1302","0.1309","","","","","","1.19","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151484","14.396","0.003","8.9008","0.0018","15.043","0.003","90","","105.83","0.03","90","","1854.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O5 S -","- C20 H20 N2 O5 S -","- C80 H80 N8 O20 S4 -","4","1","","Moody, Christopher J.; Slawin, Alexandra M. Z.; Willows, David","Dirhodium(ii) tetraacetate catalysed reactions of diazo thioamides: isolation and cycloaddition of anhydro-4-hydroxy-1,3-thiazolium hydroxides (thioisom�nchnones), an approach to analogues of dehydrogliotoxin","Organic & Biomolecular Chemistry","2003","1","15","2716","","10.1039/b305698h","","","1.54178","CuKα","","0.0627","0.0454","","","0.123","0.1358","","","","","","1.033","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151485","7.8459","0.0007","9.6884","0.0009","24.179","0.002","90","","96.467","0.002","90","","1826.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O6 S -","- C19 H17 N O6 S -","- C76 H68 N4 O24 S4 -","4","1","","Moody, Christopher J.; Slawin, Alexandra M. Z.; Willows, David","Dirhodium(ii) tetraacetate catalysed reactions of diazo thioamides: isolation and cycloaddition of anhydro-4-hydroxy-1,3-thiazolium hydroxides (thioisom�nchnones), an approach to analogues of dehydrogliotoxin","Organic & Biomolecular Chemistry","2003","1","15","2716","","10.1039/b305698h","","","0.71073","MoKα","","0.0926","0.0456","","","0.1062","0.1253","","","","","","0.925","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151486","8.48","0.04","18.39","0.09","10.41","0.05","90","","99.58","0.05","90","","1601","13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Moody, Christopher J.; Slawin, Alexandra M. Z.; Willows, David","Dirhodium(ii) tetraacetate catalysed reactions of diazo thioamides: isolation and cycloaddition of anhydro-4-hydroxy-1,3-thiazolium hydroxides (thioisom�nchnones), an approach to analogues of dehydrogliotoxin","Organic & Biomolecular Chemistry","2003","1","15","2716","","10.1039/b305698h","","","0.71073","MoKα","","0.163","0.0654","","","0.1506","0.1889","","","","","","0.976","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151487","5.2341","0.0002","12.3751","0.0005","14.2381","0.0007","90","","97.688","0.001","90","","913.95","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 O7 S -","- C16 H24 O7 S -","- C32 H48 O14 S2 -","2","1","","Karisalmi, Kaisa; Rissanen, Kari; Koskinen, Ari M. P.","An enantioselective synthesis of the C(33)?C(37) fragment of Amphotericin BElectronic supplementary information (ESI) available: Tables S1?S5: crystal data and structure refinement, atomic coordinates and equivalent isotropic displacement parameters, bond lengths and angles, anisotropic displacement parameters and torsion angles for compound 7b. See http://www.rsc.org/suppdata/ob/b3/b305845j/","Organic & Biomolecular Chemistry","2003","1","18","3193","","10.1039/b305845j","","","0.71073","MoKα","","0.0583","0.0435","","","0.103","0.1099","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151488","17.6824","0.0003","17.9641","0.0004","11.6546","0.0003","90","","90","","90","","3702.07","0.14","253","2","253","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","(h3-Allyl)[(aS)-2-[4,4-dimethyl-oxazol-2-yl]-2^[$B!G^[(B-diphenylphosphino- 1,1^[$B!G^[(B-binaphthyl]palladium(II) hexafluoroantimonate","","","- C37 H30 F6 N O P Pd Sb -","- C40 H35 F6 N O P Pd Sb -","- C160 H140 F24 N4 O4 P4 Pd4 Sb4 -","4","1","","Hatano, Manabu; Mikami, Koichi","Highly enantioselective alkaloid synthesis via ene-type cyclizations catalyzed by cationic chiral palladium(ii) complexes of PN-ligands with an achiral oxazoline unitElectronic supplementary information (ESI) available: spectral data of substrates, cyclized products and PN-ligands and crystallographic data of Pd complexes. See http://www.rsc.org/suppdata/ob/b3/b305865b/","Organic & Biomolecular Chemistry","2003","1","22","3871","","10.1039/b305865b","","","0.71069","MoKα","","0.038","0.0343","","","0.0793","0.0807","","","","","","1.098","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151489","6.271","0.001","21.359","0.003","6.932","0.001","90","","108.27","0.01","90","","881.7","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-phenyl-5-bromopyrimidine","2-phenyl-5-bromopyrimidine","","- C10 H7 Br N2 -","- C10 H7 Br N2 -","- C40 H28 Br4 N8 -","4","1","","Hughes, Gregory; Wang, Changsheng; Batsanov, Andrei S.; Fern, Michael; Frank, Stephen; Bryce, Martin R.; Perepichka, Igor F.; Monkman, Andrew P.; Lyons, Benjamin P.","New pyrimidine- and fluorene-containing oligo(arylene)s: synthesis, crystal structures, optoelectronic properties and a theoretical study Electronic supplementary information (ESI) available: experimental synthetic procedures for compounds 4, 9 and 10; HF/6?31G(d,p) and B3LYP/6?31G(d,p) calculated geometries and frontier orbitals for compounds 13E, 14E and 16E?21E. See http://www.rsc.org/suppdata/ob/b3/b305870k/","Organic & Biomolecular Chemistry","2003","1","17","3069","","10.1039/b305870k","","","0.71073","MoKα","","0.0375","0.0287","","","0.0746","0.0786","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151490","7.444","0.002","5.731","0.002","26.932","0.008","90","","92.82","0.01","90","","1147.6","0.6","103","2","103","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","2,5-diphenylpyrimidine","2,5-diphenylpyrimidine","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","0.5","","Hughes, Gregory; Wang, Changsheng; Batsanov, Andrei S.; Fern, Michael; Frank, Stephen; Bryce, Martin R.; Perepichka, Igor F.; Monkman, Andrew P.; Lyons, Benjamin P.","New pyrimidine- and fluorene-containing oligo(arylene)s: synthesis, crystal structures, optoelectronic properties and a theoretical study Electronic supplementary information (ESI) available: experimental synthetic procedures for compounds 4, 9 and 10; HF/6?31G(d,p) and B3LYP/6?31G(d,p) calculated geometries and frontier orbitals for compounds 13E, 14E and 16E?21E. See http://www.rsc.org/suppdata/ob/b3/b305870k/","Organic & Biomolecular Chemistry","2003","1","17","3069","","10.1039/b305870k","","","0.71073","MoKα","","0.0517","0.042","","","0.1141","0.1234","","","","","","1.057","","","","has coordinates,has disorder","180300","2020-10-21","18:00:00",""
"7151491","10.244","0.003","10.979","0.003","13.52","0.003","93.37","0.01","93.99","0.01","95.14","0.01","1507.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,7-bis(5-bromo-2-pyrimidyl)-9,9-dihexylfluorene","2,7-bis(5-bromo-2-pyrimidyl)-9,9-dihexylfluorene","","- C33 H36 Br2 N4 -","- C33 H36 Br2 N4 -","- C66 H72 Br4 N8 -","2","1","","Hughes, Gregory; Wang, Changsheng; Batsanov, Andrei S.; Fern, Michael; Frank, Stephen; Bryce, Martin R.; Perepichka, Igor F.; Monkman, Andrew P.; Lyons, Benjamin P.","New pyrimidine- and fluorene-containing oligo(arylene)s: synthesis, crystal structures, optoelectronic properties and a theoretical study Electronic supplementary information (ESI) available: experimental synthetic procedures for compounds 4, 9 and 10; HF/6?31G(d,p) and B3LYP/6?31G(d,p) calculated geometries and frontier orbitals for compounds 13E, 14E and 16E?21E. See http://www.rsc.org/suppdata/ob/b3/b305870k/","Organic & Biomolecular Chemistry","2003","1","17","3069","","10.1039/b305870k","","","0.71073","MoKα","","0.1197","0.0941","","","0.2573","0.278","","","","","","1.107","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151492","7.5858","0.0001","8.444","0.0001","43.4801","0.0007","90","","90","","90","","2785.1","0.07","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O7 Si -","- C28 H34 N2 O7 Si -","- C112 H136 N8 O28 Si4 -","4","1","","Fleming, Ian; Maiti, Pranab; Ramarao, Chandrashekar","Stereocontrol of 1,5-related stereocentres using an intermediate silyl group?the diastereoselectivity of nucleophilic attack on a double bond adjacent to a stereogenic centre carrying a silyl group","Organic & Biomolecular Chemistry","2003","1","22","3989","","10.1039/b305880h","","","0.71073","MoKα","","0.0654","0.0423","","","0.0776","0.0853","","","","","","1.078","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151493","7.1067","0.0001","14.8638","0.0004","26.2267","0.0007","90","","90","","90","","2770.39","0.11","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 N2 O7 Si -","- C27 H32 N2 O7 Si -","- C108 H128 N8 O28 Si4 -","4","1","","Fleming, Ian; Maiti, Pranab; Ramarao, Chandrashekar","Stereocontrol of 1,5-related stereocentres using an intermediate silyl group?the diastereoselectivity of nucleophilic attack on a double bond adjacent to a stereogenic centre carrying a silyl group","Organic & Biomolecular Chemistry","2003","1","22","3989","","10.1039/b305880h","","","0.71073","MoKα","","0.057","0.0405","","","0.0825","0.0889","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151494","12.1915","0.0003","15.2706","0.0006","8.8616","0.0003","90","","90","","90","","1649.78","0.09","180","2","180","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H24 O Si -","- C17 H24 O Si -","- C68 H96 O4 Si4 -","4","1","","Fleming, Ian; Maiti, Pranab; Ramarao, Chandrashekar","Stereocontrol of 1,5-related stereocentres using an intermediate silyl group?the diastereoselectivity of nucleophilic attack on a double bond adjacent to a stereogenic centre carrying a silyl group","Organic & Biomolecular Chemistry","2003","1","22","3989","","10.1039/b305880h","","","0.71069","MoKα","","0.0487","0.0333","","0.1175","0.0763","","","","1.044","1.056","1.056","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151495","6.822","0.001","23.501","0.005","23.73","0.005","90","","90","","90","","3804.5","1.3","293","2","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H24.5 N2 O7.5 -","- C19 H24.5 N2 O7.5 -","- C152 H196 N16 O60 -","8","1","","Lech Kozerski; Bogdan Kamieński; Robert Kawęcki; Zofia Urbanczyk-Lipkowska; Wojciech Bocian; Elżbieta Bednarek; Jerzy Sitkowski; Katarzyna Zakrzewska; Kim T. Nielsen; Poul Erik Hansen","Solution and solid state 13C NMR and X-ray studies of genistein complexes with amines. Potential biological function of the C-7, C-5, and C-4'-OH groups","Org. Biomol. Chem.","2003","1","20","3578","3585","10.1039/b305991j","","","1.54178","CuKα","","0.0718","0.0643","","","0.1467","0.152","","","","","","1.257","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151496","10.323","0.001","8.328","0.001","15.665","0.001","90","1","108.3","0.01","90","1","1278.6","0.2","298","","","","","","","","","","Per Wiklund: Organic Chemistry CNT Biosciences, Karolinska Institute, Novum 141 57 Huddinge, Sweden","5","P 1 21/c 1","-P 2ybc","14","(()3a-Pentafluoroethyl-3,4-dioxa-9b-aza- cyclopenta(a)naphthalene-2,5-dione","(()3a-Pentafluoroethyl-3,4-dioxa-9b-aza-cyclopenta[a]naphthalene-2,5-dione","","- C12 H6 F5 N O4 -","- C12 H6 F5 N O4 -","- C48 H24 F20 N4 O16 -","4","1","","Wiklund, Per; Romero, Ivan; Bergman, Jan","Products from dehydration of dicarboxylic acids derived from anthranilic acid","Organic & Biomolecular Chemistry","2003","1","19","3396","","10.1039/b306032b","","","0.71073","MoKα","","0.138","0.05","","0.172","0.06","0.06","","","2.455","1.554","1.554","1.554","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151497","10.483","0.005","9.356","0.004","12.297","0.003","90","","101.14","0.03","90","","1183.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H16 N4 O -","- C11 H16 N4 O -","- C44 H64 N16 O4 -","4","1","","Blake, Alexander J.; Clarke, David; Mares, Richard W.; McNab, Hamish","Synthesis and chemistry of 3-tert-butyl-1,5-diaminopyrazole.","Organic & biomolecular chemistry","2003","1","23","4268","4274","10.1039/b306058f","","","0.71073","MoKα","","0.139","0.057","","","0.136","0.171","","","","","","1.009","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151498","9.974","0.003","14.182","0.005","16.104","0.005","90","","107.088","0.005","90","","2177.4","1.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O4 -","- C25 H25 N O4 -","- C100 H100 N4 O16 -","4","1","","Gillson, Ashley-Mae E.; Glover, Stephen A.; Tucker, David J.; Turner, Peter","Crystal structures and properties of mutagenic N-acyloxy-N-alkoxyamides ? ?most pyramidal? acyclic amides","Organic & Biomolecular Chemistry","2003","1","19","3430","","10.1039/b306098p","","","0.71073","MoKα","","0.046","0.0349","","","0.0908","0.0951","","","","","","1.465","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151499","9.291","0.0019","17.063","0.004","18.64","0.004","90","","98.007","0.004","90","","2926.2","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 N O4 -","- C33 H41 N O4 -","- C132 H164 N4 O16 -","4","1","","Gillson, Ashley-Mae E.; Glover, Stephen A.; Tucker, David J.; Turner, Peter","Crystal structures and properties of mutagenic N-acyloxy-N-alkoxyamides ? ?most pyramidal? acyclic amides","Organic & Biomolecular Chemistry","2003","1","19","3430","","10.1039/b306098p","","","0.71073","MoKα","","0.0607","0.0425","","","0.0863","0.0909","","","","","","1.318","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151500","7.9079","0.0008","12.48","0.002","7.7913","0.0007","90","","92.89","0.01","90","","767.95","0.16","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N4 S -","- C6 H10 N4 S -","- C24 H40 N16 S4 -","4","1","","Thanyasirikul, Yupa; Pakawatchai, Chaveng; Cole, Marcus L.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Reappraising the formation of Jaff�'s base: studies of the treatment of imidazolidine-2-thione with mild oxidising agents","Organic & Biomolecular Chemistry","2003","1","18","3217","","10.1039/b306647a","","","0.71073","MoKα","","0.099","0.049","","0.062","","0.052","","","1.181","","","1.327","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151501","15.295","0.003","6.895","0.007","9.063","0.002","90","","90","","90","","955.8","1","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Br N4 S -","- C6 H11 Br N4 S -","- C24 H44 Br4 N16 S4 -","4","0.5","","Thanyasirikul, Yupa; Pakawatchai, Chaveng; Cole, Marcus L.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Reappraising the formation of Jaff�'s base: studies of the treatment of imidazolidine-2-thione with mild oxidising agents","Organic & Biomolecular Chemistry","2003","1","18","3217","","10.1039/b306647a","","","0.71073","MoKα","","0.051","0.033","","0.059","","0.049","","","1.115","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151502","13.42","0.001","12.95","0.001","14.439","0.001","90","","90","","90","","2509.3","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H9 I3 N2 S -","- C6 H9 I3 N2 S -","- C48 H72 I24 N16 S8 -","8","1","","Thanyasirikul, Yupa; Pakawatchai, Chaveng; Cole, Marcus L.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Reappraising the formation of Jaff�'s base: studies of the treatment of imidazolidine-2-thione with mild oxidising agents","Organic & Biomolecular Chemistry","2003","1","18","3217","","10.1039/b306647a","","","0.71073","MoKα","","0.059","0.037","","0.049","","0.044","","","1.066","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151503","8.4698","0.0002","6.4952","0.0002","20.0695","0.0004","90","","94.0089","0.0006","90","","1101.38","0.05","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 Si -","- C22 H32 O4 Si -","- C44 H64 O8 Si2 -","2","1","","Godage, H. Yasmin; Chambers, David J.; Evans, Graham R.; Fairbanks, Antony J.","Stereoselective synthesis of C-glycosides from carboxylic acids: the tandem Tebbe?Claisen approachThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3772","","10.1039/b306675b","","","0.71073","MoKα","","","0.0319","","","","0.0373","","","","","","1.0489","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151504","5.8009","0.0002","13.1214","0.0004","18.5666","0.0005","90","","90","","90","","1413.21","0.08","150","","150","","","","","","","","synthesis as derscribed","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Godage, H. Yasmin; Chambers, David J.; Evans, Graham R.; Fairbanks, Antony J.","Stereoselective synthesis of C-glycosides from carboxylic acids: the tandem Tebbe?Claisen approachThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3772","","10.1039/b306675b","","","0.71073","MoKα","","","0.0289","","","","0.0319","","","","","","1.0546","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151505","5.1126","0.0005","14.2991","0.0002","19.1347","0.0008","90","","90","","90","","1398.85","0.15","150","","150","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Godage, H. Yasmin; Chambers, David J.; Evans, Graham R.; Fairbanks, Antony J.","Stereoselective synthesis of C-glycosides from carboxylic acids: the tandem Tebbe?Claisen approachThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3772","","10.1039/b306675b","","","0.71073","MoKα","","","0.0315","","","","0.0355","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151506","13.7851","0.0003","17.4951","0.0004","17.3777","0.0004","90","","102.901","0.0015","90","","4085.22","0.16","150","","150","","","","","","","","?","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H94 Cl2 N4 Si2 -","- C96 H94 Cl2 N4 Si2 -","- C192 H188 Cl4 N8 Si4 -","2","0.5","","Krivokapic, Alexander; Anderson, Harry L.","Synthesis and crystal structure of a meso-trialkynyl-[28]hexaphyrinThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3639","","10.1039/b306725b","","","0.71073","MoKα","","0.0907","0.0634","","0.0981","0.075","0.0749","","","","","","1.1072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151507","32.9322","0.0014","8.629","0.0004","36.665","0.002","90","","99.019","0.002","90","","10290.3","0.9","150","","150","","","","","","","","?","5","P 1 21/a 1","-P 2yab","14","","","","- C112 H111 Cl3 N6 Si3 -","- C112 H111 Cl3 N6 Si3 -","- C448 H444 Cl12 N24 Si12 -","4","1","","Krivokapic, Alexander; Anderson, Harry L.","Synthesis and crystal structure of a meso-trialkynyl-[28]hexaphyrinThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3639","","10.1039/b306725b","","","0.71073","MoKα","","0.2122","0.1833","","0.2016","0.1626","0.1611","","","","","","0.9523","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151508","8.6168","0.0008","9.3641","0.0009","56.595","0.003","90","","90","","90","","4566.6","0.7","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H70 N2 O12 -","- C44 H70 N2 O12 -","- C176 H280 N8 O48 -","4","1","","Critchley, P.; Clarkson, G. J.","Carbohydrate-protein interactions at interfaces: comparison of the binding of Ricinus communis lectin to two series of synthetic glycolipids using surface plasmon resonance studies.","Organic & biomolecular chemistry","2003","1","23","4148","4159","10.1039/b306784j","","","0.71073","MoKα","","0.1301","0.0652","","","0.1065","0.1276","","","","","","1.02","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151509","10.747","0.0003","8.3113","0.0002","13.5613","0.0004","90","","100.432","0.0012","90","","1191.29","0.06","200","","200","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O11 S2 -","- C20 H24 O11 S2 -","- C40 H48 O22 S4 -","2","1","","Hollowood, Christopher J.; Ley, Steven V.","Reductive decomplexation of ?-allyltricarbonyliron lactone complexes using sodium naphthalenide as a route to stereodefined 1,7-diols and 2,3-diene-1,7-diols","Organic & Biomolecular Chemistry","2003","1","18","3197","","10.1039/b306861g","","","0.71073","MoKα","","","0.0417","","","","0.0465","","","","","","1.0631","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151510","15.0086","0.0005","8.0675","0.0003","15.1036","0.0005","90","","98.916","0.002","90","","1806.67","0.11","150","","150","","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","John E. Moses; Jack E. Baldwin; Sébastien Brückner; Serena J. Eade; Robert M. Adlington","Biomimetic studies on polyenes","Org. Biomol. Chem.","2003","1","21","3670","3684","10.1039/b306933h","","","0.71073","MoKα","","","0.043","","","","0.0527","","","","","","1.0561","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151511","8.0506","0.0004","12.3846","0.0005","13.2746","0.0007","64.465","0.002","86.93","0.002","73.06","0.002","1138.44","0.1","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C25 H23 N3 O8 -","- C25 H23 N3 O8 -","- C50 H46 N6 O16 -","2","1","","John E. Moses; Jack E. Baldwin; Sébastien Brückner; Serena J. Eade; Robert M. Adlington","Biomimetic studies on polyenes","Org. Biomol. Chem.","2003","1","21","3670","3684","10.1039/b306933h","","","0.71073","MoKα","","","0.0495","","","","0.0578","","","","","","1.0525","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151512","9.5061","0.0002","11.9924","0.0003","12.1678","0.0003","73.7785","0.0011","84.7859","0.0009","80.7467","0.0013","1313.04","0.05","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C28 H27 N3 O8 -","- C28 H27 N3 O8 -","- C56 H54 N6 O16 -","2","1","","John E. Moses; Jack E. Baldwin; Sébastien Brückner; Serena J. Eade; Robert M. Adlington","Biomimetic studies on polyenes","Org. Biomol. Chem.","2003","1","21","3670","3684","10.1039/b306933h","","","0.71073","MoKα","","","0.0383","","","","0.0427","","","","","","1.0616","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151513","13.1953","0.0002","8.0054","0.0002","19.1169","0.0004","90","","107.708","0.0008","90","","1923.7","0.07","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","4,6,8-trimethyldec-2,4,6,8-tetraenyl 3,5-dinitrobenzoate","4,6,8-trimethyldec-2,4,6,8-tetraenyl 3,5-dinitrobenzoate","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C80 H88 N8 O24 -","4","1","","John E. Moses; Jack E. Baldwin; Sébastien Brückner; Serena J. Eade; Robert M. Adlington","Biomimetic studies on polyenes","Org. Biomol. Chem.","2003","1","21","3670","3684","10.1039/b306933h","","","0.71073","MoKα","","","0.0384","","","","0.0513","","","","","","1.0033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151514","11.289","0.001","11.4013","0.0008","19.344","0.004","96.03","0.01","95.87","0.01","112.82","0.007","2254.2","0.6","293","","293","","","","","","","","?","4","P -1","-P 1","2","","tert-butyl(1RS,2SR,3RS)-3-methyl-2-(N,N-dibenzylamino)- cyclopentane-1-carboxylate","","- C25 H33 N O2 -","- C25 H33 N O2 -","- C100 H132 N4 O8 -","4","2","","Bunnage, Mark E.; Chippindale, Ann M.; Davies, Stephen G.; Parkin, Richard M.; Smith, Andrew D.; Withey, Jonathan M.","Asymmetric synthesis of (1R,2S,3R)-3-methylcispentacin and (1S,2S,3R)-3-methyltranspentacin by kinetic resolution of tert-butyl (�)-3-methylcyclopentene-1-carboxylateThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3698","","10.1039/b306935b","","","1.5418","CuKα","","","0.0596","","","","0.0669","","","","","","1.0356","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151515","9.9698","0.0008","10.8697","0.0009","21.974","0.004","90","","90","","90","","2381.3","0.5","293","","293","","","","","","","","see paper","4","P 21 2 21","P 2ac 2ac","18","","tert-butyl(1R,2S,3R,aS)-3-methyl-2-(N-benzylamino)- cyclopentane-1-carboxylate","","- C26 H35 N O2 -","- C26 H35 N O2 -","- C104 H140 N4 O8 -","4","1","","Bunnage, Mark E.; Chippindale, Ann M.; Davies, Stephen G.; Parkin, Richard M.; Smith, Andrew D.; Withey, Jonathan M.","Asymmetric synthesis of (1R,2S,3R)-3-methylcispentacin and (1S,2S,3R)-3-methyltranspentacin by kinetic resolution of tert-butyl (�)-3-methylcyclopentene-1-carboxylateThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3698","","10.1039/b306935b","","","1.5418","CuKα","","","0.0408","","","","0.0508","","","","","","1.0059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151516","14.905","0.008","17.292","0.003","9.515","0.002","90","","93.09","0.02","90","","2448.8","1.5","160","2","160","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N2 O5.5 S2 -","- C24 H33 N2 O5.5 S2 -","- C96 H132 N8 O22 S8 -","4","2","","Pulacchini, Sonia; Nasser, Rima; Sibbons, Kevin F.; Motevalli, Majid; Hawkes, Geoffrey E.; Kroemer, Romano T.; Bento, Edson S.; Watkinson, Michael","Structure, modelling and dynamic behaviour of aza- and azaoxamacrocyclic ligands derived from (R,R)-1,2-diaminocyclohexaneElectronic supplementary information (ESI) available: different views of compounds 6, 6a and 6b. See http://www.rsc.org/suppdata/ob/b3/b306963j/","Organic & Biomolecular Chemistry","2003","1","22","4058","","10.1039/b306963j","","x-ray","0.71073","MoKα","","0.0948","0.0461","","","0.0987","0.1129","","","","","","1.038","","","","has coordinates","209363","2020-10-21","18:00:00",""
"7151517","22.981","0.003","13.623","0.003","10.142","0.002","90","","90","","90","","3175.2","1","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N3 O6 S3 -","- C31 H39 N3 O6 S3 -","- C124 H156 N12 O24 S12 -","4","1","","Pulacchini, Sonia; Nasser, Rima; Sibbons, Kevin F.; Motevalli, Majid; Hawkes, Geoffrey E.; Kroemer, Romano T.; Bento, Edson S.; Watkinson, Michael","Structure, modelling and dynamic behaviour of aza- and azaoxamacrocyclic ligands derived from (R,R)-1,2-diaminocyclohexaneElectronic supplementary information (ESI) available: different views of compounds 6, 6a and 6b. See http://www.rsc.org/suppdata/ob/b3/b306963j/","Organic & Biomolecular Chemistry","2003","1","22","4058","","10.1039/b306963j","","x-ray","0.71073","MoKα","","0.0778","0.0402","","","0.1085","0.1408","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151518","13.5011","0.0004","15.4181","0.0004","16.111","0.0005","102.337","0.002","98.236","0.001","95.617","0.001","3213.69","0.16","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H91 Br2 N5 O2 -","- C58 H71 Br2 N5 -","- C116 H142 Br4 N10 -","2","1","","Jonathan L. Sessler; Julian M. Davis; Vladimir Král; Thomas Kimbrough; Vincent Lynch","Water soluble sapphyrins: potential fluorescent phosphate anion sensors","Org. Biomol. Chem.","2003","1","22","4113","4123","10.1039/b306964h","","","0.71073","MoKα","","0.1128","0.065","","","0.1461","0.1579","","","","","","1.148","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151519","10.747","0.0003","8.3113","0.0002","13.5613","0.0004","90","","100.432","0.0012","90","","1191.29","0.06","200","","200","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O11 S2 -","- C20 H24 O11 S2 -","- C40 H48 O22 S4 -","2","1","","Gamblin, David P.; Garnier, Philippe; Ward, Sarah J.; Oldham, Neil J.; Fairbanks, Antony J.; Davis, Benjamin G.","Glycosyl phenylthiosulfonates (Glyco-PTS): novel reagents for glycoprotein synthesisThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.Electronic supplementary information (ESI) available: experimental procedures, characterization, protein ESI-MS spectra and crystal data. See http://www.rsc.org/suppdata/ob/b3/b306990g/","Organic & Biomolecular Chemistry","2003","1","21","3642","","10.1039/b306990g","","","0.71073","MoKα","","","0.0417","","","","0.0465","","","","","","1.0631","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151520","10.517","0.004","10.678","0.004","12.532","0.005","104.199","0.004","100.115","0.004","112.747","0.003","1199.3","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 Fe2 N2 -","- C28 H36 Fe2 N2 -","- C56 H72 Fe4 N4 -","2","1","","Anderson, James C.; Blake, Alexander J.; Arnall-Culliford, Jennifer C.","Synthesis of planar chiral ferrocenyl 1,3-diamines and 1,3-amino ethers","Organic & Biomolecular Chemistry","2003","1","20","3586","","10.1039/b307014j","","x-ray","0.71073","MoKα","","0.0353","0.0261","","","0.0637","0.0694","","","","","","1.037","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151521","9.286","0.002","18.246","0.002","10.204","0.002","90","","90.77","0.02","90","","1728.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N O5 S -","- C17 H20 N O5 S -","- C68 H80 N4 O20 S4 -","4","1","","Heaney, Frances; Fenlon, Julie; O'Mahony, Colm; McArdle, Patrick; Cunningham, Desmond","Alpha-oximono-esters as precursors to heterocycles‒generation of oxazinone N-oxides and cycloaddition to alkene dipolarophiles.","Organic & biomolecular chemistry","2003","1","23","4302","4316","10.1039/b307077h","","","0.71069","MoKα","","0.0856","0.0696","","","0.183","0.1956","","","","","","1.035","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151522","8.385","0.001","11.271","0.001","16.603","0.002","90","","90","","90","","1569.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O5 S -","- C15 H19 N O5 S -","- C60 H76 N4 O20 S4 -","4","1","","Heaney, Frances; Fenlon, Julie; O'Mahony, Colm; McArdle, Patrick; Cunningham, Desmond","Alpha-oximono-esters as precursors to heterocycles‒generation of oxazinone N-oxides and cycloaddition to alkene dipolarophiles.","Organic & biomolecular chemistry","2003","1","23","4302","4316","10.1039/b307077h","","","0.71069","MoKα","","0.0283","0.0256","","","0.0667","0.068","","","","","","0.859","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151523","8.728","0.001","11.841","0.001","14.929","0.002","71.632","0.009","80.69","0.01","81.7","0.01","1437.8","0.3","123.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 F20 N4 O10 -","- C60 H44 F20 N4 O10 -","- C60 H44 F20 N4 O10 -","1","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.0551","","","","0.1264","","","","","","1.403","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151524","9.599","0.001","11.653","0.002","15.605","0.002","110.08","0.01","95.75","0.01","106.7","0.01","1531.4","0.4","298.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 F20 N6 O10 -","- C62 H46 F20 N6 O10 -","- C62 H46 F20 N6 O10 -","1","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.0605","","","","0.1588","","","","","","1.104","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151525","15.963","0.001","15.963","0.001","20.165","0.002","90","","90","","90","","5138.4","0.7","296.2","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H24 Cl8 F12 N4 -","- C48 H24 Cl8 F12 N4 -","- C192 H96 Cl32 F48 N16 -","4","0.25","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.0692","","","","0.2018","","","","","","1.647","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151526","13.102","0.002","13.102","0.002","27.375","0.003","90","","90","","90","","4699.3","1.1","298.2","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H28 Cl8 F12 N4 O2 -","- C48 H28 Cl8 F12 N4 O2 -","- C192 H112 Cl32 F48 N16 O8 -","4","0.25","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.0528","","","","0.1404","","","","","","1.109","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151527","18.886","0.002","18.183","0.002","9.886","0.002","90","","90.428","0.003","90","","3394.8","0.9","173.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H28 F40 N4 O2 -","- C74 H28 F40 N4 O2 -","- C148 H56 F80 N8 O4 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.069","","","","0.1418","","","","","","1.209","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151528","15.679","0.003","10.995","0.004","23.426","0.003","90","","100.47","0.01","90","","3971.2","1.7","298.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H28 Cl6 F40 N6 O2 -","- C76 H28 Cl6 F40 N6 O2 -","- C152 H56 Cl12 F80 N12 O4 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.0769","","","","0.2003","","","","","","1.327","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151529","25.555","0.009","15.884","0.002","25.659","0.008","90","","90","","90","","10415","5","288.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C88 H70 Cl24 N6 O12 -","- C84 H66 Cl12 N6 O12 -","- C336 H264 Cl48 N24 O48 -","4","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","0.0928","0.0872","","","0.2452","0.2491","","","","","","1.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151530","18.487","0.002","15.093","0.002","19.312","0.001","90","","94.823","0.007","90","","5369.4","1","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H86 Cl16 N6 O12 -","- C108 H86 Cl16 N6 O12 -","- C216 H172 Cl32 N12 O24 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.088","","","","0.2471","","","","","","1.668","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151531","18.487","0.002","15.093","0.002","19.312","0.001","90","","94.823","0.007","90","","5369.4","1","296.1","","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H86 Cl16 N6 O12 -","- C84 H66 Cl12 N6 O12 -","- C168 H132 Cl24 N12 O24 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.71069","MoKa","","0.148","0.0622","","","0.1819","0.2006","","","","","","0.82","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151532","14.02","0.003","18.711","0.003","14.289","0.003","90","","117.76","0.01","90","","3317","1.2","298.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C68 H48 Cl10 N4 O8 -","- C68 H48 Cl10 N4 O8 -","- C136 H96 Cl20 N8 O16 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.07","","","","0.1792","","","","","","1.104","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151533","21.856","0.003","25.827","0.003","19.842","0.003","90","","115.244","0.003","90","","10131","2","173.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H26 F20 N4 O8 -","- C56 H26 F20 N4 O8 -","- C448 H208 F160 N32 O64 -","8","1","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.0513","","","","0.1266","","","","","","1.239","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151534","21.093","0.003","25.7","0.003","19.961","0.002","90","","107.1","0.003","90","","10342","2","123.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H28.5 Cl0.5 F20 N4 O8 -","- C59 H30.5 Cl0.5 F20 N4 O8 -","- C472 H244 Cl4 F160 N32 O64 -","8","1","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.0479","","","","0.1103","","","","","","1.015","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151535","14.995","0.003","12.084","0.002","15.045","0.003","90","","116.761","0.004","90","","2434.2","0.8","173.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H18 Cl8 F12 N4 -","- C48 H18 Cl8 F12 N4 -","- C96 H36 Cl16 F24 N8 -","2","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.0742","","","","0.1869","","","","","","1.665","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151536","25.555","0.009","15.884","0.002","25.659","0.008","90","","90","","90","","10415","5","288.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C88 H70 Cl24 N6 O12 -","- C88 H70 Cl24 N6 O12 -","- C352 H280 Cl96 N24 O48 -","4","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.0727","","","","0.176","","","","","","1.976","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151537","21.2","0.003","26.956","0.006","9.205","0.0011","90","","90","","90","","5260.4","1.5","298","","","","","","","","","","Local laboratory","4","P c c n","-P 2ab 2ac","56","","","","- C23 H41 N5 O2 -","- C23 H41 N5 O2 -","- C184 H328 N40 O16 -","8","1","","Yabuuchi, Kazuhiro; Marfo-Owusu, Emmanuel; Kato, Takashi","A new urea gelator: incorporation of intra- and intermolecular hydrogen bonding for stable 1D self-assembly","Organic & Biomolecular Chemistry","2003","1","19","3464","","10.1039/b307149a","","","0.71073","MoKα","","0.179","0.094","","0.237","0.233","0.162","","","0.778","1.216","1.216","0.814","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151538","39.501","0.009","13.177","0.003","24.959","0.006","90","","98.709","0.005","90","","12841","5","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C67 H83 F3 N Na O9 S -","- C67 H83 F3 N Na O9 S -","- C536 H664 F24 N8 Na8 O72 S8 -","8","1","","Abidi, Rym; Baklouti, Lassaad; Harrowfield, Jack M.; Sobolev, Alexandre N.; Vicens, Jacques; White, Allan H.","Alkali metal ion complexes of functionalised calixarenes ? competition between pendent arm and anion bonding to sodium","Organic & Biomolecular Chemistry","2003","1","18","3144","","10.1039/b307193f","","","0.71073","MoKα","","0.1896","0.0965","","","0.241","0.3137","","","","","","0.999","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151539","40.086","0.008","13.339","0.003","25.135","0.005","90","","98.58","0.03","90","","13289","5","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C67 H83 F3 N Na O9 S -","- C67 H83 F3 N Na O9 S -","- C536 H664 F24 N8 Na8 O72 S8 -","8","1","","Abidi, Rym; Baklouti, Lassaad; Harrowfield, Jack M.; Sobolev, Alexandre N.; Vicens, Jacques; White, Allan H.","Alkali metal ion complexes of functionalised calixarenes ? competition between pendent arm and anion bonding to sodium","Organic & Biomolecular Chemistry","2003","1","18","3144","","10.1039/b307193f","","","0.71073","MoKα","","0.3098","0.142","","","0.362","0.47","","","","","","1.019","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151540","19.214","0.006","16.341","0.004","7.1838","0.0009","90","","90","","90","","2255.5","0.9","145","","145","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2S,3S,6R,8S)-4-Benzyl-2-O-(tert-butyldimethylsilyl)-3-methyl-11-oxa-4-aza- tricyclo-[6.2.1.01.6] undec-9-en-5-one","","- C23 H33 N O3 Si -","- C23 H33 N O3 Si -","- C92 H132 N4 O12 Si4 -","4","1","","Tromp, Reynier A.; Brussee, Johannes; van der Gen, Arne","Stereochemistry of intramolecular Diels?Alder furan (IMDAF) reactions of furyl-substituted chiral ethanolamides","Organic & Biomolecular Chemistry","2003","1","20","3592","","10.1039/b307275d","","","0.71073","MoKalpha","","0.084","0.042","","0.05","0.045","","","","1.684","2.039","2.039","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151541","15.752","0.006","11.767","0.004","8.688","0.003","90","","103.607","0.007","90","","1565.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Fluoro-4-(4-fluorophenyl)-1-methylbenzo[f][1,4]diazepine-2,3-dicarboxylic anhydride","","- C18 H12 F2 N2 O3 -","- C18 H12 F2 N2 O3 -","- C72 H48 F8 N8 O12 -","4","1","","Cheng, Ying; Yang, Hua; Meth-Cohn, Otto","The surprising nucleophilic addition of aminochlorocarbenes to diethyl acetylenedicarboxylate and to oxalyl chloride: quinolines and benzo[1,4]diazepines from N-alkylformanilides and oxalyl chloride in the presence of H�nig's base","Organic & Biomolecular Chemistry","2003","1","20","3605","","10.1039/b307278a","","","0.71073","MoKα","","0.2534","0.0569","","","0.1063","0.1883","","","","","","0.932","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151542","8.312","0.012","8.487","0.013","19.91","0.03","78.19","0.03","81.52","0.03","88.99","0.03","1360","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 2-(2-chloro-1,2-bis(ethoxy-carbonyl)vinyl)- 6-methoxy1-1-methyl-1,2-dihydroquinoline-3,4-dicarboxylate","","- C25 H30 Cl N O9 -","- C25 H30 Cl N O9 -","- C50 H60 Cl2 N2 O18 -","2","1","","Cheng, Ying; Yang, Hua; Meth-Cohn, Otto","The surprising nucleophilic addition of aminochlorocarbenes to diethyl acetylenedicarboxylate and to oxalyl chloride: quinolines and benzo[1,4]diazepines from N-alkylformanilides and oxalyl chloride in the presence of H�nig's base","Organic & Biomolecular Chemistry","2003","1","20","3605","","10.1039/b307278a","","","0.71073","MoKα","","0.1848","0.0803","","","0.1756","0.2216","","","","","","0.998","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151543","12.0481","0.0011","14.5004","0.0017","16.407","0.002","81.45","0.03","83.18","0.05","67.32","0.017","2609.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-Benzyl-7-methoxy-4-(4-methoxyphenyl)-5- phenylbenzo(f)(1,4)diazepine-2,3-dicarbox-ylic anhydride","1-Benzyl-7-methoxy-4-(4-methoxyphenyl)-5-phenylbenzo[f][1,4]diazepine- 2,3-dicarbox-ylic anhydride","","- C32 H26 N2 O5 -","- C32 H26 N2 O5 -","- C128 H104 N8 O20 -","4","2","","Cheng, Ying; Yang, Hua; Meth-Cohn, Otto","The surprising nucleophilic addition of aminochlorocarbenes to diethyl acetylenedicarboxylate and to oxalyl chloride: quinolines and benzo[1,4]diazepines from N-alkylformanilides and oxalyl chloride in the presence of H�nig's base","Organic & Biomolecular Chemistry","2003","1","20","3605","","10.1039/b307278a","","","0.71073","MoKα","","0.2119","0.0481","","","0.0726","0.0918","","","","","","0.641","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151544","9.939","0.007","12.907","0.005","20.16","0.003","90","","90","","90","","2586","2","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O9 S -","- C19 H24 N2 O9 S -","- C76 H96 N8 O36 S4 -","4","1","","Marietta Tóth; Katalin E. Kövér; Attila Bényei; László Somsák","C-Glycosylmethylene carbenes: synthesis of anhydro-aldose tosylhydrazones as precursors; generation and a new synthetic route to exo-glycals","Org. Biomol. Chem.","2003","1","22","4039","4046","10.1039/b307378e","","x-ray","0.71073","MoKα","","","0.0533","","","","0.1828","","","","","","1.029","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151545","7.632","0.002","15.352","0.004","18.943","0.008","90","","94.83","0.03","90","","2211.6","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3-diethyl-1,2-diferrocenylcyclopropene","","- C27 H28 Fe2 -","- C27 H28 Fe2 -","- C108 H112 Fe8 -","4","1","","Elena I. Klimova; Tatiana Klimova Berestneva; Arnaldo Cinquantini; Maddalena Corsini; Piero Zanello; Ruben A. Toscano; Simón Hernández-Ortega; Marcos Martínez García","3,3-Diethyl- and 3,3-dibenzyl-1,2-diferrocenylcyclopropenes","Org. Biomol. Chem.","2003","1","24","4458","4464","10.1039/b307408k","","","0.71073","MoKα","","0.1389","0.0711","","","0.1517","0.1872","","","","","","1.007","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151546","11.0169","0.0008","7.8226","0.0005","13.1321","0.0009","90","","102.329","0.001","90","","1105.63","0.13","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,5-DIFERROCEN-1-YL-HEPTAN-3-ONE","","- C27 H30 Fe2 O -","- C27 H30 Fe2 O -","- C54 H60 Fe4 O2 -","2","1","","Elena I. Klimova; Tatiana Klimova Berestneva; Arnaldo Cinquantini; Maddalena Corsini; Piero Zanello; Ruben A. Toscano; Simón Hernández-Ortega; Marcos Martínez García","3,3-Diethyl- and 3,3-dibenzyl-1,2-diferrocenylcyclopropenes","Org. Biomol. Chem.","2003","1","24","4458","4464","10.1039/b307408k","","","0.71073","MoKα","","0.0511","0.039","","","0.0749","0.0784","","","","","","0.968","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151547","17.709","0.003","7.553","0.002","19.656","0.002","90","","100.926","0.008","90","","2581.5","0.9","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 O5 -","- C29 H26 N4 O5 -","- C116 H104 N16 O20 -","4","1","","Tsuji, Eriko; Ando, Kumiko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Kohno, Shigekatsu; Ohishi, Yoshitaka","Preparation of 3-acetoacetylaminobenzo[b]furan derivatives with cysteinyl leukotriene receptor 2 antagonistic activity","Organic & Biomolecular Chemistry","2003","1","18","3139","","10.1039/b307468d","","","1.5418","CuKα","","","0.0585","","","","0.1703","","","","","","1.491","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151548","13.4019","0.0002","8.1355","0.0001","7.8447","0.0001","90","","101.744","0.001","90","","837.41","0.02","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N6 S -","- C6 H6 N6 S -","- C24 H24 N24 S4 -","4","1","","Volkova, Natalya N.; Tarasov, Evgeniy V.; Kodess, Mikhail I.; Meervelt, Luc Van; Dehaen, Wim; Bakulev, Vasiliy A.","Reaction of 5-halo-1,2,3-thiadiazoles with aliphatic diamines. Synthesis and intramolecular cyclization of bis(1,2,3-triazolyl-1,2,3-thiadiazolyl)sulfides","Organic & Biomolecular Chemistry","2003","1","22","4030","","10.1039/b307693h","","","1.54178","CuKα","","0.0448","0.0437","","","0.1384","0.1405","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151549","27.462","0.017","20.459","0.012","18.66","0.006","90","","103.03","0.04","90","","10214","9","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H120 N6 O12 P4 -","- C112 H120 N6 O12 P4 -","- C448 H480 N24 O48 P16 -","4","1","","Christian Schmidt; Mohamed Saadioui; Volker Böhmer; Valéry Host; Marie-Rose Spirlet; Jean F. Desreux; Fréderic Brisach; Françoise Arnaud-Neu; Jean-François Dozol","Modification of calix[4]arenes with CMPO-functions at the wide rim. Synthesis, solution behavior, and separation of actinides from lanthanides","Org. Biomol. Chem.","2003","1","22","4089","4096","10.1039/b307929e","","","0.71073","MoKα","","0.1613","0.068","","","0.1445","0.1794","","","","","","0.922","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151550","5.7655","0.0003","9.7432","0.0004","19.338","0.001","83.041","0.005","85.348","0.006","85.954","0.004","1072.72","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H36 Ho0 O6 -","- C19 H36 O6 -","- C38 H72 O12 -","2","2","","Cuzzupe, Anthony N.; Florio, Romina Di; White, Jonathan M.; Rizzacasa, Mark A.","Enantiospecific synthesis of the phospholipase A2 inhibitors (?)-cinatrin C1 and (+)-cinatrin C3","Organic & Biomolecular Chemistry","2003","1","20","3572","","10.1039/b308028e","","","1.5418","CuKα","","0.0633","0.0398","","","0.0909","0.1033","","","","","","1.018","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151551","25.207","0.004","7.631","0.002","17","0.003","90","0","95.5","0.1","90","0","3255","1.3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cl N4 O -","- C16 H19 Cl N4 O -","- C128 H152 Cl8 N32 O8 -","8","2","","Greci, Lucedio; Castagna, Riccardo; Carloni, Patricia; Stipa, Pierluigi; Rizzoli, Corrado; Righi, Lara; Sgarabotto, Paolo","Nitrenium ions.Part 5. For Part 4 see ref. 1 Reactions of N,N-dimethyl-p-benzoyloxyaniline-iminium chloride with indoles and indolizines. X-ray structure of unexpected [2-chloro-4-(4-dimethylaminophenyl-ONN-azoxy)phenyl]dimethylamine (azoxy derivative)","Organic & Biomolecular Chemistry","2003","1","21","3768","","10.1039/b308088a","","","1.54178","CuKα","","0.1326","0.0501","","0.0943","","0.0677","","","0.87","","","1.235","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151552","12.5942","0.0011","18.0596","0.0017","22.178","0.002","97.231","0.002","97.264","0.002","104.726","0.002","4773.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H70 O5 -","- C51 H70 O5 -","- C204 H280 O20 -","4","2","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.13","0.073","","0.093","","0.088","","","1.344","","","1.479","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151553","19.111","0.002","19.764","0.002","18.122","0.002","90","","90","","90","","6844.9","1.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C60 H91 N O35 Ru3 S4 -","- C62 H81 N O35 Ru3 S4 -","- C248 H324 N4 O140 Ru12 S16 -","4","0.5","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.103","0.053","","0.087","","0.055","","","1.24","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151554","11.187","0.002","12.038","0.002","12.244","0.002","61.561","0.002","69.877","0.002","74.679","0.002","1351.3","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cl3 N O4 -","- C29 H30 Cl3 N O4 -","- C58 H60 Cl6 N2 O8 -","2","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.059","0.042","","0.052","","0.047","","","0.943","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151555","12.307","0.001","31.192","0.003","12.43","0.001","90","","112.518","0.001","90","","4407.8","0.7","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 O4 -","- C50 H60 O4 -","- C200 H240 O16 -","4","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.071","0.046","","0.058","","0.052","","","1.127","","","1.215","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151556","26.365","0.001","12.614","0.001","12.585","0.003","90","","90","","90","","4185.4","1.1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C46.5 H59.75 N1.25 O4 -","- C46.486 H59.729 N1.243 O4 -","- C185.944 H238.916 N4.972 O16 -","4","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.089","0.073","","0.08","","0.078","","","1.133","","","1.204","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151557","21.163","0.002","21.401","0.002","25.508","0.002","107.194","0.001","108.912","0.001","90.083","0.002","10380.1","1.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C55.5 H76 O8 -","- C55.5 H72 O8 -","- C444 H576 O64 -","8","4","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.201","0.107","","0.133","","0.12","","","1.5","","","1.85","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151558","12.439","0.003","13.78","0.003","14.061","0.003","78.082","0.004","88.428","0.004","76.002","0.004","2287.6","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H70 O5 -","- C51 H70 O5 -","- C102 H140 O10 -","2","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.142","0.075","","0.088","","0.081","","","1.224","","","1.244","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151559","12.2184","0.0006","6.3844","0.0003","14.8429","0.0009","90","","108.081","0.002","90","","1100.68","0.1","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl3 N2 O5 -","- C18 H23 Cl3 N2 O5 -","- C36 H46 Cl6 N4 O10 -","2","1","","Ley, Steven V.; Cleator, Ed; Hewitt, Peter R.","A rapid stereocontrolled synthesis of the 3a-hydroxy-pyrrolo[2,3-b]indole skeleton, a building block for 10b-hydroxy-pyrazino[1?,2?:1,5]pyrrolo[2,3-b]indole-1,4-diones","Organic & Biomolecular Chemistry","2003","1","20","3492","","10.1039/b308288a","","","0.71073","MoKα","","0.0705","0.0577","","","0.156","0.1757","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151560","25.6379","0.0012","9.2441","0.0004","12.2274","0.0006","90","","90","","90","","2897.9","0.2","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H40 Cl4 N8 O8 Zn2 -","- C16 H40 Cl4 N8 O8 Zn2 -","- C64 H160 Cl16 N32 O32 Zn8 -","4","1","","Gao, Jian; Reibenspies, Joseph H.; Martell, Arthur E.","Selective recognition of thymidylylthymidine (TpT) and antitumor effects of a macrocyclic dizinc(II) complex.","Organic & biomolecular chemistry","2003","1","23","4242","4247","10.1039/b308358f","","","0.71073","MoKα","","0.06","0.0498","","","0.1255","0.1382","","","","","","1.14","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151561","7.9103","0.0004","9.9556","0.0005","15.8702","0.0009","90","","90","","90","","1249.81","0.11","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O3 -","- C13 H20 N2 O3 -","- C52 H80 N8 O12 -","4","1","","Jean-Paul R. Hermet; David W. Porter; Michael J. Dearden; Justin R. Harrison; Tobias Koplin; Peter O'Brien; Jérôme Parmene; Vladimir Tyurin; Adrian C. Whitwood; John Gilday; Neil M. Smith","Synthesis of sparteine-like chiral diamines and evaluation in the enantioselective lithiation‒substitution of N-(tert-butoxycarbonyl)pyrrolidine","Org. Biomol. Chem.","2003","1","22","3977","3988","10.1039/b308410h","","","0.71073","MoKα","","0.0362","0.0333","","","0.0877","0.0898","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151562","8.8117","0.0002","11.0726","0.0002","11.2477","0.0003","79.339","0.001","73.059","0.001","86.946","0.001","1031.68","0.04","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","7-Carboxy-2,4-dimethyl-5H-benzo[b][1,4]diazepin-ium picrate","","- C19 H19 N5 O10 -","- C19 H19 N5 O10 -","- C38 H38 N10 O20 -","2","1","","Schmidt, Andreas; Shilabin, Abbas Gholipour; Nieger, Martin","On benzo[b][1,4]diazepinium-olates, -thiolates and -carboxylates as anti-Hückel mesomeric betaines.","Organic & biomolecular chemistry","2003","1","23","4342","4350","10.1039/b308412d","","","0.71073","MoKα","","0.0519","0.0431","","","0.1165","0.1218","","","","","","1.074","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151563","12.334","0.003","12.813","0.003","14.026","0.003","90","","91.62","0.03","90","","2215.7","0.9","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O7 -","- C23 H30 O7 -","- C92 H120 O28 -","4","2","","Lee, Ai-Lan; Ley, Steven V.","The synthesis of the anti-malarial natural product polysphorin and analogues using polymer-supported reagents and scavengers","Organic & Biomolecular Chemistry","2003","1","22","3957","","10.1039/b308761a","","","0.71073","MoKα","","0.0931","0.0704","","","0.1715","0.1906","","","","","","1.064","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151564","22.4427","0.0004","11.0768","0.0003","12.8817","0.0002","90","","114.475","0.002","90","","2914.55","0.11","180","2","180","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H34 N2 O9 S -","- C28 H34 N2 O9 S -","- C112 H136 N8 O36 S4 -","4","1","","Lee, Ai-Lan; Ley, Steven V.","The synthesis of the anti-malarial natural product polysphorin and analogues using polymer-supported reagents and scavengers","Organic & Biomolecular Chemistry","2003","1","22","3957","","10.1039/b308761a","","","0.71073","MoKα","","0.0572","0.0449","","","0.0951","0.1023","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151565","8.5195","0.0011","10.0386","0.0013","19.37","0.002","90","","90","","90","","1656.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Dang, Hai-Shan; Roberts, Brian P.; Tocher, Derek A.","Thiol-catalysed radical-chain redox rearrangement reactions of benzylidene acetals derived from terpenoid diols","Organic & Biomolecular Chemistry","2003","1","22","4073","","10.1039/b309060b","","","0.71073","MoKα","","0.0682","0.0535","","","0.1178","0.1251","","","","","","1.07","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151566","10.6743","0.0007","16.4346","0.001","16.6813","0.001","90","","90","","90","","2926.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 O4 -","- C34 H42 O4 -","- C136 H168 O16 -","4","1","","Dang, Hai-Shan; Roberts, Brian P.; Tocher, Derek A.","Thiol-catalysed radical-chain redox rearrangement reactions of benzylidene acetals derived from terpenoid diols","Organic & Biomolecular Chemistry","2003","1","22","4073","","10.1039/b309060b","","","0.71073","MoKα","","0.0507","0.0426","","","0.1077","0.1136","","","","","","1.015","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151567","8.804","0.003","10.274","0.003","18.428","0.005","90","","90","","90","","1666.9","0.9","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Dang, Hai-Shan; Roberts, Brian P.; Tocher, Derek A.","Thiol-catalysed radical-chain redox rearrangement reactions of benzylidene acetals derived from terpenoid diols","Organic & Biomolecular Chemistry","2003","1","22","4073","","10.1039/b309060b","","","0.71073","MoKα","","0.0817","0.0579","","","0.122","0.1329","","","","","","0.987","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151568","9.9643","0.0004","11.133","0.0004","17.3159","0.0007","90","","90","","90","","1920.9","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O6 S -","- C17 H25 N O6 S -","- C68 H100 N4 O24 S4 -","4","1","","Foresti, Elisabetta; Palmieri, Gianni; Petrini, Marino; Profeta, Roberto","Highly diastereoselective addition of nitromethane anion to chiral alpha-amidoalkylphenyl sulfones. Synthesis of optically active alpha-amino acid derivatives.","Organic & biomolecular chemistry","2003","1","23","4275","4281","10.1039/b309211a","","","0.71073","MoKα","","0.0376","0.0358","","","0.0931","0.0951","","","","","","1.086","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151569","7.0666","0.0004","7.0975","0.0004","18.3293","0.0013","88.437","0.003","86.586","0.003","62.907","0.003","816.98","0.09","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Davies, John E.; Fleming, Ian; Goodman, Jonathan M.","A tricycloheptane product in cationic rearrangements","Organic & Biomolecular Chemistry","2003","1","20","3570","","10.1039/b309329h","","","0.71073","MoKα","","0.1793","0.1113","","","0.266","0.3102","","","","","","1.037","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151570","28.047","0.006","11.272","0.002","13.562","0.003","90","","103.05","0.03","90","","4176.8","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 N5 O3 P -","- C17 H26 N5 O3 P -","- C136 H208 N40 O24 P8 -","8","1","","Brel, Valery K.; Belsky, Vitaly K.; Stash, Adam I.; Zavodnik, Valery E.; Stang, Peter J.","Synthesis and molecular structure of new acyclic analogues of nucleotides with a 1,2-alkadienic skeleton.","Organic & biomolecular chemistry","2003","1","23","4220","4226","10.1039/b309684j","","","0.71073","MoKα","","0.0597","0.0597","","","0.1621","0.1621","","","","","","1.065","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151571","14.135","0.003","8.272","0.002","14.408","0.003","90","","106.97","0.03","90","","1611.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N2 O5 P -","- C14 H19 N2 O5 P -","- C56 H76 N8 O20 P4 -","4","1","","Brel, Valery K.; Belsky, Vitaly K.; Stash, Adam I.; Zavodnik, Valery E.; Stang, Peter J.","Synthesis and molecular structure of new acyclic analogues of nucleotides with a 1,2-alkadienic skeleton.","Organic & biomolecular chemistry","2003","1","23","4220","4226","10.1039/b309684j","","","0.71073","MoKα","","0.0376","0.0376","","","0.1059","0.1059","","","","","","1.068","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151572","6.444","0.001","11.612","0.002","12.764","0.002","90","","98","0.01","90","","945.8","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 2-N-benzylamino-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C42 H50 N2 O10 -","2","1","","Emmerson, Daniel P. G.; Villard, Renaud; Mugnaini, Claudia; Batsanov, Andrei; Howard, Judith A. K.; Hems, William P.; Tooze, Robert P.; Davis, Benjamin G.","Precise structure activity relationships in asymmetric catalysis using carbohydrate scaffolds to allow ready fine tuning: dialkylzinc?aldehyde additionsThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3826","","10.1039/b309715n","","","0.71073","MoKα","","0.0358","0.0344","","","0.0932","0.0948","","","","","","1.064","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151573","6.282","0.001","19.484","0.004","10.205","0.002","90","","90.22","0.01","90","","1249.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 2-N,N-dibenzylamino-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside","","- C28 H31 N O5 -","- C28 H31 N O5 -","- C56 H62 N2 O10 -","2","1","","Emmerson, Daniel P. G.; Villard, Renaud; Mugnaini, Claudia; Batsanov, Andrei; Howard, Judith A. K.; Hems, William P.; Tooze, Robert P.; Davis, Benjamin G.","Precise structure activity relationships in asymmetric catalysis using carbohydrate scaffolds to allow ready fine tuning: dialkylzinc?aldehyde additionsThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3826","","10.1039/b309715n","","","0.71073","MoKα","","0.0329","0.0311","","","0.0773","0.0785","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151574","10.073","0.001","19.17","0.001","13.434","0.001","90","","105.6","0.01","90","","2498.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl 2-N,N-dibenzylamino-4,6-O-benzylidene-2-deoxy-β-D-glucopyranoside","","- C28 H31 N O5 -","- C28 H31 N O5 -","- C112 H124 N4 O20 -","4","2","","Emmerson, Daniel P. G.; Villard, Renaud; Mugnaini, Claudia; Batsanov, Andrei; Howard, Judith A. K.; Hems, William P.; Tooze, Robert P.; Davis, Benjamin G.","Precise structure activity relationships in asymmetric catalysis using carbohydrate scaffolds to allow ready fine tuning: dialkylzinc?aldehyde additionsThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3826","","10.1039/b309715n","","","0.71073","MoKα","","0.0566","0.0422","","","0.0839","0.0918","","","","","","1.069","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151575","14.2716","0.0002","17.0905","0.0003","17.5293","0.0002","76.145","0.001","74.066","0.001","80.183","0.001","3966.45","0.1","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[C60F15{C(CO2Et)3}3].2(CDCl3)","","","- C92 H45 Cl6 D2 F15 O18 -","- C92 H47 Cl6 F15 O18 -","- C184 H94 Cl12 F30 O36 -","2","1","","Burley, Glenn A.; Avent, Anthony G.; Gol'dt, Ilya V.; Hitchcock, Peter B.; Al-Matar, Hamad; Paolucci, Demis; Paolucci, Francesco; Fowler, Patrick W.; Soncini, Alessandro; Street, Joan M.; Taylor, Roger","Design and synthesis of multi-component 18 pi annulenic fluorofullerene ensembles suitable for donor-acceptor applications.","Organic & biomolecular chemistry","2004","2","3","319","329","10.1039/b309959h","","x-ray","0.71073","MoKα","","0.1172","0.0902","","","0.2301","0.2518","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151576","10.12","0.001","7.299","0.001","10.965","0.001","90","","98.76","0.01","90","","800.49","0.16","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 F O4 -","- C7 H9 F O4 -","- C28 H36 F4 O16 -","4","1","","Rosen, Thomas C.; De Clercq, Erik; Balzarini, Jan; Haufe, Günter","Synthesis and antiviral activity of monofluorinated cyclopropanoid nucleosides.","Organic & biomolecular chemistry","2004","2","2","229","237","10.1039/b310059f","","","1.54178","CuKα","","0.0544","0.0532","","","0.1559","0.1582","","","","","","1.02","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151577","6.9444","0.0011","6.4862","0.001","9.16","0.002","90","","99.437","0.014","90","","407.01","0.13","","","110","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-(-)-3-Hydroxy-4,5,6,7-tetrahydroisoxazolo(5,4-c)-pyridine- 5-carboxylic acid ((S)-(-)-5-HPCA)","(S)-(-)-3-Hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]- pyridine-5-carboxylic acid [(S)-(-)-5-HPCA]","","- C7 H10 N2 O5 -","- C7 H10 N2 O5 -","- C14 H20 N4 O10 -","2","1","","Vogensen, Stine B.; Greenwood, Jeremy R.; Varming, Annemarie R.; Brehm, Lotte; Pickering, Darryl S.; Nielsen, Birgitte; Liljefors, Tommy; Clausen, Rasmus P.; Johansen, Tommy N.; Krogsgaard-Larsen, Povl","A stereochemical anomaly: the cyclised (R)-AMPA analogue (R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid [(R)-5-HPCA] resembles (S)-AMPA at glutamate receptors.","Organic & biomolecular chemistry","2004","2","2","206","213","10.1039/b310450h","","","1.5418","CuKα","","0.0219","0.0207","","0.0305","0.0287","0.0287","","","","","","1.0663","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151578","7.511","0.0002","12.0412","0.0005","19.598","0.0007","90","","90","","90","","1772.47","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H31 Br2 N3 -","- C13 H31 Br2 N3 -","- C52 H124 Br8 N12 -","4","1","","Argouarch, Gilles; Stones, Graham; Gibson, Colin L.; Kennedy, Alan R.; Sherrington, David C.","Bifurcated, modular syntheses of chiral annulet triazacyclononanes","Organic & Biomolecular Chemistry","2003","1","24","4408","","10.1039/b310492c","","","0.71073","MoKα","","0.0526","0.0349","","","0.0639","0.0685","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151579","8.0587","0.0008","11.2534","0.0011","22.104","0.003","90","","98.529","0.013","90","","1982.4","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl N9 -","- C21 H16 Cl N9 -","- C84 H64 Cl4 N36 -","4","1","","Angel Díaz-Ortiz; José Elguero; Concepción Foces-Foces; Antonio de la Hoz; Andrés Moreno; Sergio Moreno; Ana Sánchez-Migallón; Gema Valiente","Synthesis, structural determination and dynamic behavior of 2-chloro-4,6-bis(pyrazolylamino)-1,3,5-triazines","Org. Biomol. Chem.","2003","1","24","4451","4457","10.1039/b310693d","","","1.54178","CuK\α","","0.054","0.043","","0.062","","0.055","","","0.984","","","0.972","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151580","4.0483","0.001","10.844","0.003","13.748","0.003","90","","97.19","0.005","90","","598.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Chloro[1,3]dithiole-2-thione","","- C3 H Cl S3 -","- C3 H Cl S3 -","- C12 H4 Cl4 S12 -","4","1","","Suizu, Rie; Imakubo, Tatsuro","Synthesis and properties of hetero-halogenated TTFsElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/ob/b3/b310822h/","Organic & Biomolecular Chemistry","2003","1","21","3629","","10.1039/b310822h","","","0.71073","MoKα","","0.0403","0.0378","","","0.1098","0.1112","","","","","","1.17","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151581","6.7584","0.0015","4.0939","0.0009","22.946","0.005","90","","97.097","0.004","90","","630","0.2","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C8 H2 Cl I N2 S2 Se2 -","- C8 H2 Cl I N2 S2 Se2 -","- C16 H4 Cl2 I2 N4 S4 Se4 -","2","1","","Suizu, Rie; Imakubo, Tatsuro","Synthesis and properties of hetero-halogenated TTFsElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/ob/b3/b310822h/","Organic & Biomolecular Chemistry","2003","1","21","3629","","10.1039/b310822h","","","0.71073","MoKα","","0.0628","0.0602","","","0.1572","0.1595","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151582","10.1391","0.0005","8.2152","0.0004","14.6853","0.0005","90","","96.703","0.003","90","","1214.85","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 F3 O2 -","- C13 H17 F3 O2 -","- C52 H68 F12 O8 -","4","1","","DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm","Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry","Organic & Biomolecular Chemistry","2003","1","24","4423","","10.1039/b311261f","","","0.71073","MoKα","","0.0503","0.0352","","","0.0858","0.0933","","","","","","1.063","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151583","8.7576","0.0004","13.7337","0.001","9.8743","0.0004","90","","106.53","0.002","90","","1138.54","0.11","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H10 Cl F5 O -","- C10 H10 Cl F5 O -","- C40 H40 Cl4 F20 O4 -","4","2","","DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm","Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry","Organic & Biomolecular Chemistry","2003","1","24","4423","","10.1039/b311261f","","","0.71073","MoKα","","0.0272","0.0254","","","0.0594","0.0604","","","","","","1.068","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151584","7.979","0.001","9.742","0.001","14.053","0.002","90","","90","","90","","1092.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl F5 O -","- C10 H10 Cl F5 O -","- C40 H40 Cl4 F20 O4 -","4","1","","DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm","Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry","Organic & Biomolecular Chemistry","2003","1","24","4423","","10.1039/b311261f","","","0.71073","MoKα","","0.0334","0.0283","","","0.0598","0.0621","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151585","5.996","0.001","8.007","0.002","11.386","0.002","80.9","0.03","87.03","0.03","78.66","0.03","529.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 F6 O -","- C10 H10 F6 O -","- C20 H20 F12 O2 -","2","1","","DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm","Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry","Organic & Biomolecular Chemistry","2003","1","24","4423","","10.1039/b311261f","","","0.71073","MoKα","","0.0493","0.0425","","","0.1189","0.1248","","","","","","1.059","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151586","11.1132","0.0002","11.0996","0.0002","13.8507","0.0003","90","","102.89","0.0012","90","","1665.46","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 F5 N O3 -","- C15 H20 F5 N O3 -","- C60 H80 F20 N4 O12 -","4","1","","DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm","Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry","Organic & Biomolecular Chemistry","2003","1","24","4423","","10.1039/b311261f","","","0.71073","MoKα","","0.0454","0.0344","","","0.08","0.0854","","","","","","1.04","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151587","6.6969","0.0004","7.0489","0.0006","10.9328","0.0007","77.964","0.006","75.679","0.009","80.977","0.008","486.04","0.06","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C24 H28 O4 -","2","1","","Hue, Bui T. B.; Dijkink, Jan; Kuiper, Sanne; Larson, Kimberly K.; Guziec, Jr, Frank S; Goubitz, Kees; Fraanje, Jan; Schenk, Henk; van Maarseveen, Jan H.; Hiemstra, Henk","Synthesis of the cyclobutanone core of solanoeclepin A intramolecular allene butenolide photocycloaddition.","Organic & biomolecular chemistry","2003","1","24","4364","4366","10.1039/b311415e","","","1.5418","CuKα","","0.085","0.079","","0.104","","0.099","","","0.989","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151588","7.0166","0.0003","10.5703","0.0006","13.7222","0.0013","90","","102.88","0.005","90","","992.13","0.12","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Hue, Bui T. B.; Dijkink, Jan; Kuiper, Sanne; Larson, Kimberly K.; Guziec, Jr, Frank S; Goubitz, Kees; Fraanje, Jan; Schenk, Henk; van Maarseveen, Jan H.; Hiemstra, Henk","Synthesis of the cyclobutanone core of solanoeclepin A intramolecular allene butenolide photocycloaddition.","Organic & biomolecular chemistry","2003","1","24","4364","4366","10.1039/b311415e","","","1.5418","CuKα","","0.078","0.071","","0.066","","0.064","","","1.031","","","1.09","","","","has coordinates","191942","2020-10-21","18:00:00",""
"7151589","7.621","0.001","8.543","0.001","14.83","0.002","90","","90","","90","","965.5","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H7 Cl F N -","- C2 H7 Cl F N -","- C16 H56 Cl8 F8 N8 -","8","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.0344","0.0265","","","0.0651","0.0688","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151590","6.821","0.007","10.177","0.009","12.07","0.02","110.74","0.13","90.8","0.2","103.32","0.09","758.3","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cl F N -","- C16 H19 Cl F N -","- C32 H38 Cl2 F2 N2 -","2","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.1876","0.0887","","","0.2026","0.2708","","","","","","0.935","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151591","7.34","0.002","9.302","0.003","12.025","0.004","90","","92.072","0.005","90","","820.5","0.4","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H13 Cl F N O -","- C6 H13 Cl F N O -","- C24 H52 Cl4 F4 N4 O4 -","4","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.0419","0.0391","","","0.1017","0.1052","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151592","7.335","0.002","6.9524","0.0019","13.17","0.004","90","","93.567","0.005","90","","670.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Cl F2 N -","- C4 H10 Cl F2 N -","- C16 H40 Cl4 F8 N4 -","4","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.1038","0.0645","","","0.1541","0.1776","","","","","","0.925","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151593","9.21","0.03","12.66","0.04","14.89","0.05","90","","90","","90","","1736","10","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl F N -","- C19 H23 Cl F N -","- C76 H92 Cl4 F4 N4 -","4","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.129","0.0475","","","0.0793","0.1007","","","","","","0.961","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151594","4.8021","0.001","11.86","0.002","21.79","0.004","90","","95.098","0.004","90","","1236.1","0.4","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl I N4 O -","- C10 H10 Cl I N4 O -","- C40 H40 Cl4 I4 N16 O4 -","4","1","","Taddei, David; Kilian, Petr; Slawin, Alexandra M. Z.; Derek Woollins, J.","Synthesis and full characterisation of 6-chloro-2-iodopurine, a template for the functionalisation of purines.","Organic & biomolecular chemistry","2004","2","5","665","670","10.1039/b312629c","","","0.71073","MoKα","","0.0329","0.0279","","","0.0624","0.0645","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151595","7.172","0.002","16.732","0.005","7.577","0.002","90","","115.863","0.004","90","","818.2","0.4","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Cl I N4 O -","- C5 H4 Cl I N4 O -","- C20 H16 Cl4 I4 N16 O4 -","4","1","","Taddei, David; Kilian, Petr; Slawin, Alexandra M. Z.; Derek Woollins, J.","Synthesis and full characterisation of 6-chloro-2-iodopurine, a template for the functionalisation of purines.","Organic & biomolecular chemistry","2004","2","5","665","670","10.1039/b312629c","","","0.71073","MoKα","","0.0347","0.0302","","","0.0727","0.0753","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151596","10.841","0.002","11.998","0.003","12.157","0.003","103.14","0.02","97.91","0.02","103.65","0.02","1465.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Br N O2 -","- C15 H19 Br N O2 -","- C60 H76 Br4 N4 O8 -","4","2","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.1402","0.0754","","","0.1702","0.2017","","","","","","1.11","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151597","6.521","0.001","8.187","0.001","17.336","0.002","90","","92.72","0.01","90","","924.5","0.2","293","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl2 N O3 -","- C17 H27 Cl2 N O3 -","- C34 H54 Cl4 N2 O6 -","2","1","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.0337","0.031","","","0.0863","0.0888","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151598","7.2507","0.0011","12.939","0.002","15.788","0.002","90","","90","","90","","1481.2","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O2 -","- C15 H20 Cl N O2 -","- C60 H80 Cl4 N4 O8 -","4","1","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.0651","0.0453","","","0.0962","0.1151","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151599","18.525","0.003","10.4917","0.0015","15.695","0.002","90","","95.085","0.002","90","","3038.5","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 Cl4 O2 Sn4 -","- C20 H40 Cl4 O2 Sn4 -","- C80 H160 Cl16 O8 Sn16 -","4","0.5","","Cunningham, Anthony; Mokal-Parekh, Vijaya; Wilson, Claire; Woodward, Simon","On the use of mixtures of organotin species for catalytic enantioselective ketone allylation‒a detective story.","Organic & biomolecular chemistry","2004","2","5","741","748","10.1039/b313384b","","","0.71073","MoKα","","0.0443","0.0332","","","0.0847","0.0888","","","","","","1.031","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151600","18.064","0.001","13.961","0.001","9.143","0.001","90","","90","","90","","2305.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O4 -","- C25 H31 N O4 -","- C100 H124 N4 O16 -","4","1","","Urones, Julio G.; Garrido, Narciso M.; Díez, David; El Hammoumi, Mohamed M.; Dominguez, Sara H.; Antonio Casaseca, J.; Davies, Stephen G.; Smith, Andrew D.","Asymmetric synthesis of the stereoisomers of 2-amino-5-carboxymethyl-cyclopentane-1-carboxylate.","Organic & biomolecular chemistry","2004","2","3","364","372","10.1039/b313386a","","","1.5418","CuKα","","0.0483","0.0457","","0.1272","0.121","","","","1.047","1.041","1.041","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151601","18.1633","0.0008","11.0249","0.0005","14.0928","0.0008","90","","97.171","0.002","90","","2800","0.2","","","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2'-dihydroxyl-1,1'-binaphthyl diquinoline","2,2'-dihydroxyl-1,1'-binaphthyl diquinoline","","- C38 H28 N2 O2 -","- C38 H28 N2 O2 -","- C152 H112 N8 O8 -","4","0.5","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.1264","0.0531","","","0.1001","0.1235","","","","","","1.017","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151602","14.8402","0.0003","10.5377","0.0002","9.7304","0.0002","90","","99.443","0.001","90","","1501.04","0.05","","","203","2","","","","","","","","4","C 1 2 1","C 2y","5","2,2-dihydroxyl-1,1'-binaphthyl di-2-methylquinoline","2,2-dihydroxyl-1,1'-binaphthyl di-2-methylquinoline","","- C40 H32 N2 O2 -","- C40 H32 N2 O2 -","- C80 H64 N4 O4 -","2","0.5","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.063","0.0378","","","0.081","0.0894","","","","","","1.037","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151603","8.8396","0.0001","9.4695","0.0001","21.6106","0.0003","94.652","0.001","98.068","0.001","103.822","0.001","1726.77","0.04","","","203","2","","","","","","","","4","P -1","-P 1","2","2,2'-dihydroxyl-1,1'-binaphthyl 6-methylquinoline clathrate","2,2'-dihydroxyl-1,1'-binaphthyl 6-methylquinoline clathrate","","- C45 H36.5 N2.5 O2 -","- C45 H32 N2.5 O2 -","- C90 H64 N5 O4 -","2","1","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.118","0.0745","","","0.2028","0.2283","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151604","14.4495","0.0003","11.0481","0.0003","19.6571","0.0006","90","","105.1","0.001","90","","3029.7","0.14","","","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2-dihydroxyl-1,1'-binaphthyl di-8-methylquinoline","2,2-dihydroxyl-1,1'-binaphthyl di-8-methylquinoline","","- C40 H32 N2 O2 -","- C40 H32 N2 O2 -","- C160 H128 N8 O8 -","4","0.5","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.111","0.0534","","","0.1265","0.152","","","","","","1.018","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151605","8.9072","0.0013","18.141","0.003","12.9956","0.0019","90","","94.949","0.003","90","","2092.1","0.6","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O5 S -","- C20 H24 N2 O5 S -","- C80 H96 N8 O20 S4 -","4","1","","Scanlan, Eoin M.; Slawin, Alexandra M. Z.; Walton, John C.","Preparation of beta- and gamma-lactams from carbamoyl radicals derived from oxime oxalate amides.","Organic & biomolecular chemistry","2004","2","5","716","724","10.1039/b315223e","","","0.71073","MoKα","","0.0405","0.0341","","","0.0831","0.0868","","","","","","1.041","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151606","12.626","0.001","14.332","0.002","20.971","0.002","90","","95.257","0.002","90","","3778.9","0.7","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(Di-tert-butyl-hydroxy-silanyloxy)-2-methyl-5-oxo-2,5-dihydro-furan- -2-carboxylic acid ethyl ester","","- C16 H28 O6 Si -","- C16 H28 O6 Si -","- C128 H224 O48 Si8 -","8","4","","Gathergood, Nicholas; Juhl, Karsten; Poulsen, Thomas B.; Thordrup, Karl; Jørgensen, Karl Anker","Direct catalytic asymmetric aldol reactions of pyruvates: scope and mechanism.","Organic & biomolecular chemistry","2004","2","7","1077","1085","10.1039/b316092k","","","0.71073","MoKα","","","0.055","","","","0.065","","","","","","1.45","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151607","6.4668","0.0005","10.4584","0.0004","19.4553","0.0012","90","","90","","90","","1315.81","0.14","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C44 H76 N4 O20 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3S)-3'-fluoroisoleucine.","Organic & biomolecular chemistry","2004","2","5","797","802","10.1039/b316219b","","x-ray","0.71073","MoKα","","0.0441","0.0397","","","0.1023","0.1052","","","","","","1.102","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151608","9.811","0.007","13.067","0.006","11.121","0.005","90","","104.99","0.04","90","","1377.2","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 F N O4 Si -","- C27 H36 F N O4 Si -","- C54 H72 F2 N2 O8 Si2 -","2","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3S)-3'-fluoroisoleucine.","Organic & biomolecular chemistry","2004","2","5","797","802","10.1039/b316219b","","","1.5418","CuKα","","0.0744","0.0635","","0.1749","0.1634","","","","1.061","1.083","1.083","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151609","5.2672","0.0014","12.0311","0.0014","17.196","0.002","104.049","0.009","98.288","0.015","99.018","0.015","1025","0.3","290","2","290","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H25 N O2 Se -","- C22 H25 N O2 Se -","- C44 H50 N2 O4 Se2 -","2","2","","Bourland, T. Campbell; Carter, Rich G.; Yokochi, Alexandre F. T.","Vanadium-catalyzed selenide oxidation with in situ[2,3] sigmatropic rearrangement (SOS reaction): scope and asymmetric applications.","Organic & biomolecular chemistry","2004","2","9","1315","1329","10.1039/b316502g","","","1.54178","CuKα","","0.0362","0.0325","","","0.0712","0.0735","","","","","","1.097","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151610","9.055","0.0009","4.8997","0.0006","18.0554","0.0019","90","","100.842","0.003","90","","786.76","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 Se -","- C19 H19 N O2 Se -","- C38 H38 N2 O4 Se2 -","2","1","","Bourland, T. Campbell; Carter, Rich G.; Yokochi, Alexandre F. T.","Vanadium-catalyzed selenide oxidation with in situ[2,3] sigmatropic rearrangement (SOS reaction): scope and asymmetric applications.","Organic & biomolecular chemistry","2004","2","9","1315","1329","10.1039/b316502g","","","1.54178","CuKα","","0.0319","0.0319","","","0.0914","0.0914","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151611","10.2869","0.0016","6.7635","0.0011","11.4718","0.0018","90","","111.162","0.003","90","","744.3","0.2","289","2","289","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","(E)-4-(11-azuleno(2,1-b)benzothiophenyl)-3-butene-2-one","(E)-4-(11-azuleno[2,1-b]benzothiophenyl)-3-butene-2-one","","- C20 H14 O S -","- C20 H14 O S -","- C40 H28 O2 S2 -","2","0.5","","Yamamura, Kimiaki; Houda, Yuuko; Hashimoto, Masao; Kimura, Takatomo; Kamezawa, Makoto; Otani, Takehiko","An efficient novel synthesis of beta-(azuleno[1,2-b]benzothienyl)- and beta-(azuleno[2,1-b]benzothienyl)-alpha,beta-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative.","Organic & biomolecular chemistry","2004","2","9","1413","1418","10.1039/b401579g","","","0.71073","MoKα","","0.0529","0.0413","","","0.11","0.1173","","","","","","1.027","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151612","18.905","0.003","4.7718","0.0007","33.799","0.005","90","","90","","90","","3049","0.8","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(E)-4-(11-azuleno(1,2-b)benzothiophenyl)-3-butene-2-one","(E)-4-(11-azuleno[1,2-b]benzothiophenyl)-3-butene-2-one","","- C20 H14 O S -","- C20 H14 O S -","- C160 H112 O8 S8 -","8","2","","Yamamura, Kimiaki; Houda, Yuuko; Hashimoto, Masao; Kimura, Takatomo; Kamezawa, Makoto; Otani, Takehiko","An efficient novel synthesis of beta-(azuleno[1,2-b]benzothienyl)- and beta-(azuleno[2,1-b]benzothienyl)-alpha,beta-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative","Organic & Biomolecular Chemistry","2004","2","9","1413","1418","10.1039/b401579g","","","0.71073","MoKα","","0.1765","0.0827","","","0.1934","0.2379","","","","","","0.917","","","","has coordinates","275176","2022-05-07","00:55:58",""
"7151613","9.767","0.005","13.052","0.004","11.178","0.004","90","","105.26","0.03","90","","1374.7","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H34 D3 N O4 Si -","- C27 H37 N O4 Si -","- C54 H74 N2 O8 Si2 -","2","1","","Charrier, Jean-Damien; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3R)-[3',3',3'-2H3]-valine and (2S,3S)-4-fluorovaline.","Organic & biomolecular chemistry","2004","2","9","1310","1314","10.1039/b401646g","","","1.5418","CuKα","","0.0595","0.0479","","0.1277","0.1173","","","","1.047","1.058","1.058","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151614","7.673","0.001","11.394","0.002","11.894","0.002","97.22","0.01","106.92","0.01","90.85","0.01","985.5","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F2 N3 O2 -","- C23 H19 F2 N3 O2 -","- C46 H38 F4 N6 O4 -","2","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","1.5418","CuKα","","0.0533","0.0449","","","0.1256","0.1343","","","","","","1.08","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151615","9.4926","0.0002","10.3004","0.0003","10.9831","0.0003","93.68","0.001","94.13","0.001","115.22","0.001","963.64","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F2 N3 O2 -","- C23 H19 F2 N3 O2 -","- C46 H38 F4 N6 O4 -","2","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.0583","0.0437","","","0.1161","0.1293","","","","","","1.048","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151616","3.7369","0.0002","6.2036","0.0003","28.8526","0.0018","90","","90","","90","","668.87","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H3 F2 N O -","- C8 H3 F2 N O -","- C32 H12 F8 N4 O4 -","4","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.0405","0.0327","","","0.0677","0.0722","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151617","11.636","0.0006","6.9444","0.0004","26.6949","0.0016","90","","98.983","0.002","90","","2130.6","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl F3 N3 O3 -","- C23 H21 Cl F3 N3 O3 -","- C92 H84 Cl4 F12 N12 O12 -","4","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.0782","0.0664","","","0.1639","0.1709","","","","","","1.169","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151618","4.889","0.0007","20.18","0.002","19.844","0.002","90","","96.211","0.005","90","","1946.3","0.4","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 F3 N3 O2 -","- C23 H18 F3 N3 O2 -","- C92 H72 F12 N12 O8 -","4","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.1434","0.1252","","","0.3214","0.3317","","","","","","1.161","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151619","8.3987","0.0006","5.7449","0.0004","15.9653","0.0012","90","","90.774","0.001","90","","770.25","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Yamamoto, Yoshihiko; Kinpara, Keisuke; Saigoku, Tomoaki; Nishiyama, Hisao; Itoh, Kenji","Synthesis of benzo-fused lactams and lactones via Ru(II)-catalyzed cycloaddition of amide- and ester-tethered alpha,omega-diynes with terminal alkynes: electronic directing effect of internal conjugated carbonyl group.","Organic & biomolecular chemistry","2004","2","9","1287","1294","10.1039/b402649g","","","0.71073","MoKα","","0.0506","0.0493","","","0.1318","0.1349","","","","","","0.719","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151620","19.184","0.003","19.184","0.003","10.165","0.004","90","","90","","90","","3741","1.7","180","2","180","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H26 F2 O8 -","- C16 H26 F2 O8 -","- C128 H208 F16 O64 -","8","1","","Frederickson, Martyn; Roszak, Aleksander W.; Coggins, John R.; Lapthorn, Adrian J.; Abell, Chris","(1R,4S,5R)-3-Fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid: the fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases.","Organic & biomolecular chemistry","2004","2","11","1592","1596","10.1039/b404535a","","","0.71069","MoKα","","0.0738","0.0473","","0.1077","0.096","","","","1.024","1.07","1.07","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151621","9.2885","0.0004","9.7175","0.0004","10.1841","0.0005","67.61","0.002","83.86","0.002","66.887","0.002","780.73","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Ethyl-5-acetyl-8-methoxy-3a,4,5,9b-tetrahydro-3H- cyclopenta(c)quinoline -4-carboxylate","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Hermitage, Stephen; Howard, Judith A. K.; Jay, David; Pritchard, Robin G.; Probert, Michael R.; Whiting, Andrew","Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions.","Organic & biomolecular chemistry","2004","2","17","2451","2460","10.1039/b407293f","","","0.71073","MoKα","","0.0735","0.049","","","0.1329","0.1433","","","","","","1.034","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151622","7.959","0.014","16.44","0.014","12.342","0.013","90","","90.01","0.01","90","","1615","4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Hermitage, Stephen; Howard, Judith A. K.; Jay, David; Pritchard, Robin G.; Probert, Michael R.; Whiting, Andrew","Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions.","Organic & biomolecular chemistry","2004","2","17","2451","2460","10.1039/b407293f","","x-ray","1.54178","CuKα","","0.0867","0.0559","","","0.1366","0.1564","","","","","","1.012","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151623","7.22","0.0008","8.7222","0.0013","11.6617","0.0014","90","","98.271","0.011","90","","726.75","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 I N6 O2 -","- C10 H15 I N6 O2 -","- C20 H30 I2 N12 O4 -","2","0.5","","Krüger, Thomas; Bruhn, Clemens; Steinborn, Dirk","Synthesis of [(MeCyt)2H]I-structure and stability of a dimeric threefold hydrogen-bonded 1-methylcytosinium 1-methylcytosine cation.","Organic & biomolecular chemistry","2004","2","17","2513","2516","10.1039/b407542k","","","0.71073","MoKα","","0.0418","0.0286","","","0.0557","0.062","","","","","","1.096","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151624","9.287","0.0002","9.393","0.0002","10.735","0.0003","81.726","0.001","72.983","0.001","71.805","0.002","849.25","0.04","295","2","295","2","","","","","","","","3","P -1","-P 1","2","9-[4-(N,N-Dimethylamino)phenyl]ethynyl-acridine","","","- C23 H18 N2 -","- C23 H18 N2 -","- C46 H36 N4 -","2","1","","Elangovan, Arumugasamy; Chiu, Hsing-Hua; Yang, Shu-Wen; Ho, Tong-Ing","Arylethynylacridines: electrochemiluminescence and photophysical properties.","Organic & biomolecular chemistry","2004","2","21","3113","3118","10.1039/b410829a","","","0.71073","MoKα","","0.0671","0.0483","","0.1449","0.1278","","","","1.023","1.067","1.067","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151625","14.668","0.002","5.7076","0.0008","18.373","0.003","90","","95.266","0.003","90","","1531.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C56 H100 N4 O20 -","4","1","","Cren, Sylvaine; Gurcha, Sudagar S.; Blake, Alexander J.; Besra, Gurdyal S.; Thomas, Neil R.","Synthesis and biological evaluation of new inhibitors of UDP-Galf transferase‒a key enzyme in M. tuberculosis cell wall biosynthesis.","Organic & biomolecular chemistry","2004","2","17","2418","2420","10.1039/b411554f","","","0.71073","MoKα","","0.0486","0.0396","","","0.107","0.113","","","","","","1.07","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151626","18.124","0.0013","18.124","0.0013","9.8424","0.0008","90","","90","","90","","3233","0.4","273","2","273","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C16 H18 O4 Se2 -","- C16 H18 O4 Se2 -","- C128 H144 O32 Se16 -","8","0.5","","Tripathi, Santosh K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","2-Phenoxyethanol derived diselenide and related compounds; synthesis of a seven-membered seleninate ester.","Organic & biomolecular chemistry","2011","9","2","581","587","10.1039/C0OB00038H","","","0.71073","MoKα","","0.1","0.0323","","","0.0567","0.0902","","","","","","1.157","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151627","15.814","0.0012","15.1093","0.0014","18.2919","0.0013","90","","93.682","0.009","90","","4361.6","0.6","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 O6 Se2 -","- C20 H26 O6 Se2 -","- C160 H208 O48 Se16 -","8","1","","Tripathi, Santosh K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","2-Phenoxyethanol derived diselenide and related compounds; synthesis of a seven-membered seleninate ester.","Organic & biomolecular chemistry","2011","9","2","581","587","10.1039/C0OB00038H","","","0.71073","MoKα","","0.1194","0.0622","","","0.1445","0.1582","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151628","10.8591","0.0003","10.0425","0.0003","17.0542","0.0004","90","","100.888","0.003","90","","1826.32","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 S -","- C22 H16 N2 O2 S -","- C88 H64 N8 O8 S4 -","4","1","","Bhurruth-Alcor, Yushma; Røst, Therese; Jorgensen, Michael R.; Kontogiorgis, Christos; Skorve, Jon; Cooper, Robert G.; Sheridan, Joseph M.; Hamilton, William D. O.; Heal, Jonathan R.; Berge, Rolf K.; Miller, Andrew D.","Synthesis of novel PPARα/γ dual agonists as potential drugs for the treatment of the metabolic syndrome and diabetes type II designed using a new de novo design program PROTOBUILD.","Organic & biomolecular chemistry","2011","9","4","1169","1188","10.1039/C0OB00146E","","","0.71073","MoKα","","0.0808","0.0438","","","0.1012","0.1155","","","","","","1.04","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151629","18.0309","0.0004","5.88641","0.00015","19.522","0.0004","90","","98.636","0.002","90","","2048.52","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N2 O2 S -","- C26 H18 N2 O2 S -","- C104 H72 N8 O8 S4 -","4","1","","Bhurruth-Alcor, Yushma; Røst, Therese; Jorgensen, Michael R.; Kontogiorgis, Christos; Skorve, Jon; Cooper, Robert G.; Sheridan, Joseph M.; Hamilton, William D. O.; Heal, Jonathan R.; Berge, Rolf K.; Miller, Andrew D.","Synthesis of novel PPARα/γ dual agonists as potential drugs for the treatment of the metabolic syndrome and diabetes type II designed using a new de novo design program PROTOBUILD.","Organic & biomolecular chemistry","2011","9","4","1169","1188","10.1039/C0OB00146E","","","1.54248","CuKα","","0.0879","0.0404","","","0.0764","0.0869","","","","","","0.867","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151630","8.565","0.004","12.029","0.006","16.76","0.008","90","","91.239","0.01","90","","1726.4","1.4","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H36 Cl3 N3 Ni O5 -","- C33 H36 Cl3 N3 Ni O5 -","- C66 H72 Cl6 N6 Ni2 O10 -","2","1","","Luo, Xiaoyan; Jin, Zhichao; Li, Pengfei; Gao, Jiabin; Yue, Weimin; Liang, Xinmiao; Ye, Jinxing","Catalytic asymmetric Michael addition of α,β-unsaturated aldehydes to Ni(II) complexes of the Schiff base of glycine.","Organic & biomolecular chemistry","2011","9","3","793","801","10.1039/C0OB00221F","","","0.71073","MoKα","","0.1231","0.0793","","","0.2011","0.2399","","","","","","1.016","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151631","7.529","0.002","13.009","0.004","23.237","0.008","90","","90.36","0.006","90","","2275.9","1.2","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 Br2 N2 O3 P -","- C19 H23 Br2 N2 O3 P -","- C76 H92 Br8 N8 O12 P4 -","4","2","","Cheng, Ge; Slawin, Alexandra M. Z.; Vautravers, Nicolas R.; André, Pascal; Morris, Russell E.; Samuel, Ifor D. W.; Cole-Hamilton, David","Synthesis of hybrid dendritic molecules with diazaphospholidine oxide grafted at the surface of octavinylsilsesquioxane (OVS).","Organic & biomolecular chemistry","2011","9","4","1189","1200","10.1039/C0OB00297F","","","0.71073","MoKα","","0.1626","0.1516","","","0.3528","0.3628","","","","","","1.131","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151632","14.786","0.003","9.781","0.002","16.323","0.004","90","","101.211","0.004","90","","2315.6","0.9","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 I N2 O3 P -","- C25 H26 I N2 O3 P -","- C100 H104 I4 N8 O12 P4 -","4","1","","Cheng, Ge; Slawin, Alexandra M. Z.; Vautravers, Nicolas R.; André, Pascal; Morris, Russell E.; Samuel, Ifor D. W.; Cole-Hamilton, David","Synthesis of hybrid dendritic molecules with diazaphospholidine oxide grafted at the surface of octavinylsilsesquioxane (OVS).","Organic & biomolecular chemistry","2011","9","4","1189","1200","10.1039/C0OB00297F","","","0.71073","MoKα","","0.0871","0.0396","","","0.0629","0.0722","","","","","","0.914","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151633","9.3517","0.0018","16.96","0.003","11.251","0.002","90","","103.824","0.003","90","","1732.8","0.5","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br N2 O2 P -","- C18 H20 Br N2 O2 P -","- C72 H80 Br4 N8 O8 P4 -","4","1","","Cheng, Ge; Slawin, Alexandra M. Z.; Vautravers, Nicolas R.; André, Pascal; Morris, Russell E.; Samuel, Ifor D. W.; Cole-Hamilton, David","Synthesis of hybrid dendritic molecules with diazaphospholidine oxide grafted at the surface of octavinylsilsesquioxane (OVS).","Organic & biomolecular chemistry","2011","9","4","1189","1200","10.1039/C0OB00297F","","","0.71073","MoKα","","0.1268","0.0821","","","0.2086","0.2893","","","","","","1.092","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151634","5.1216","0.0003","10.4652","0.0006","21.3646","0.0014","90","","95.373","0.002","90","","1140.08","0.12","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C42 H64 N4 O12 -","2","1","","Bouillère, Francelin; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Access to β,γ-diamino acids. Application to the synthesis of 3-deoxyaminostatine.","Organic & biomolecular chemistry","2011","9","2","394","399","10.1039/C0OB00370K","","x-ray","0.71073","MoKα","","0.1255","0.1177","","","0.316","0.3263","","","","","","1.061","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151635","18.7436","0.0005","18.7436","0.0005","13.3951","0.0004","90","","90","","120","","4075.5","0.2","296","2","296","2","","","","","","","","5","P 61","P 61","169","","","","- C20 H20 Cl2 N2 Pd -","- C20 H20 Cl2 N2 Pd -","- C120 H120 Cl12 N12 Pd6 -","6","1","","Grach, Guillaume; Dinut, Aurelia; Marque, Sylvain; Marrot, Jérôme; Gil, Richard; Prim, Damien","Enantioselective Friedel-Crafts alkylation of indole derivatives catalyzed by new Yb(OTf)3-pyridylalkylamine complexes as chiral Lewis acids.","Organic & biomolecular chemistry","2011","9","2","497","503","10.1039/C0OB00461H","","","0.71073","MoKα","","0.0523","0.0447","","","0.1229","0.1294","","","","","","1.109","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151636","13.912","0.003","5.9518","0.0012","21.173","0.004","90","","90","","90","","1753.2","0.6","100","1","100","1","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Cl N O S -","- C9 H6 Cl N O S -","- C72 H48 Cl8 N8 O8 S8 -","8","1","","Wisastra, Rosalina; Ghizzoni, Massimo; Maarsingh, Harm; Minnaard, Adriaan J.; Haisma, Hidde J.; Dekker, Frank J.","Isothiazolones; thiol-reactive inhibitors of cysteine protease cathepsin B and histone acetyltransferase PCAF.","Organic & biomolecular chemistry","2011","9","6","1817","1822","10.1039/C0OB00464B","","","0.71073","MoKα","","0.0456","0.036","","","0.0875","0.0937","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151637","17.363","0.019","6.389","0.007","7.471","0.008","90","","95.868","0.018","90","","824.4","1.6","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N O S -","- C9 H7 N O S -","- C36 H28 N4 O4 S4 -","4","1","","Wisastra, Rosalina; Ghizzoni, Massimo; Maarsingh, Harm; Minnaard, Adriaan J.; Haisma, Hidde J.; Dekker, Frank J.","Isothiazolones; thiol-reactive inhibitors of cysteine protease cathepsin B and histone acetyltransferase PCAF.","Organic & biomolecular chemistry","2011","9","6","1817","1822","10.1039/C0OB00464B","","","0.71073","MoKα","","0.1081","0.0767","","","0.1824","0.2014","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151638","16.771","0.0016","7.1231","0.001","21.515","0.003","90","","90","","90","","2570.2","0.6","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H11 N S2 -","- C15 H11 N S2 -","- C120 H88 N8 S16 -","8","2","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","0.71073","MoKα","","0.0826","0.0554","","","0.1307","0.148","","","","","","1.086","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151639","18.3919","0.0005","16.7137","0.0005","9.28","0.0003","90","","103.914","0.003","90","","2768.94","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N S2 -","- C16 H13 N S2 -","- C128 H104 N8 S16 -","8","2","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","1.54178","CuKα","","0.0535","0.0389","","","0.1038","0.1103","","","","","","1.044","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151640","18.2767","0.0008","5.6221","0.0002","14.5289","0.0006","90","","90","","90","","1492.89","0.1","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H15 N S2 -","- C17 H15 N S2 -","- C68 H60 N4 S8 -","4","1","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","0.71073","MoKα","","0.0504","0.0356","","","0.0633","0.0655","","","","","","0.914","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151641","8.0959","0.0004","5.7246","0.0003","22.417","0.0009","90","","95.369","0.004","90","","1034.38","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N3 O5 S -","- C22 H23 N3 O5 S -","- C44 H46 N6 O10 S2 -","2","1","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","1.54178","CuKα","","0.0903","0.0578","","","0.1278","0.1445","","","","","","0.978","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151642","10.158","0.0006","5.7057","0.0003","11.3236","0.0007","90","","111.933","0.007","90","","608.8","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cl N -","- C4 H8 Cl N -","- C16 H32 Cl4 N4 -","4","1","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","0.71073","MoKα","","0.039","0.0285","","","0.0699","0.0723","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151643","10.019","0.002","6.5258","0.0013","22.94","0.005","90","","101.39","0.03","90","","1470.3","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-(2, 3-O-isopropylidene-A-D-ribofuransoyl)amino-5-cyano-6- chloropyrimidine","4-(2, 3-O-isopropylidene-Â-D-ribofuransoyl)amino-5-cyano-6-chloropyrimidine","","- C13 H15 Cl N4 O4 -","- C13 H15 Cl N4 O4 -","- C52 H60 Cl4 N16 O16 -","4","2","","Yang, Hao-Zhe; Pan, Mei-Ying; Jiang, Da-Wei; He, Yang","Synthesis of Janus type nucleoside analogues and their preliminary bioactivity.","Organic & biomolecular chemistry","2011","9","5","1516","1522","10.1039/C0OB00495B","","","0.71073","MoKα","","0.0407","0.0372","","","0.0822","0.0854","","","","","","1.02","","","","has coordinates","287926","2023-12-01","07:54:24",""
"7151644","7.4866","0.0002","14.3369","0.0002","17.3851","0.0003","90","","100.017","0.0009","90","","1837.58","0.06","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 N O3 S -","- C19 H16 F3 N O3 S -","- C76 H64 F12 N4 O12 S4 -","4","1","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0482","0.0393","","","0.1022","0.1099","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151645","12.175","0.0002","10.9843","0.0002","14.5988","0.0002","90","","90","","90","","1952.35","0.05","150","2","150","2","","","","","","","synthesized by the authors","6","P c a 21","P 2c -2ac","29","","","","- C18 H18 F3 N O3 S2 -","- C18 H18 F3 N O3 S2 -","- C72 H72 F12 N4 O12 S8 -","4","1","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0362","0.0333","","","0.0864","0.0893","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151646","23.1671","0.0005","10.5994","0.0002","15.6896","0.0003","90","","92.516","0.0013","90","","3848.98","0.13","150","2","150","2","","","","","","","synthesized by the authors","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 F3 N O3 S -","- C21 H18 F3 N O3 S -","- C168 H144 F24 N8 O24 S8 -","8","1","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0512","0.0405","","","0.1031","0.1105","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151647","23.3925","0.0002","6.2169","0.0004","13.0456","0.0008","90","","90","","90","","1897.21","0.17","150","2","150","2","","","","","","","synthesized by the authors","3","P n a 21","P 2c -2n","33","","","","- C12 H8 N2 -","- C12 H8 N2 -","- C96 H64 N16 -","8","2","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0893","0.0517","","","0.1121","0.1337","","","","","","1.068","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151648","7.4977","0.0002","10.5242","0.0002","11.7581","0.0003","81.4639","0.0015","79.5813","0.0013","75.5501","0.0015","878.42","0.04","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C17 H13 F3 N2 O3 S -","- C17 H13 F3 N2 O3 S -","- C34 H26 F6 N4 O6 S2 -","2","1","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0449","0.0363","","","0.1032","0.1114","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151649","10.9379","0.0017","12.55","0.002","31.289","0.005","90","","90","","90","","4295.1","1.2","180","2","180","2","","","","","","","","5","C 2 2 21","C 2c 2","20","DHT-T2","","","- C18 H30 N2 O6 Si -","- C18 H30 N2 O6 Si -","- C144 H240 N16 O48 Si8 -","8","1","","Luo, Qun; Wu, Dayong; Liu, Shixiong; Tang, Daihua; Huang, Yong; Liu, Xinhou; Wang, Fuyi; Wang, Ruiyao; Wu, Gang","The formation of thymidine-based T-tetramers with remarkable structural and metal ion size effects.","Organic & biomolecular chemistry","2011","9","4","1030","1033","10.1039/C0OB00520G","","","0.71073","MoKα","","0.0302","0.027","","","0.0694","0.0705","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151650","11.2213","0.0003","11.0837","0.0002","18.7917","0.0005","90","","100.181","0.001","90","","2300.39","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O3 -","- C28 H26 N4 O3 -","- C112 H104 N16 O12 -","4","1","","Chanda, Kaushik; Maiti, Barnali; Yellol, Gorakh S.; Chien, Ming-Hsien; Kuo, Min-Liang; Sun, Chung-Ming","Polymer supported synthesis of novel benzoxazole linked benzimidazoles under microwave conditions: In vitro evaluation of VEGFR-3 kinase inhibition activity.","Organic & biomolecular chemistry","2011","9","6","1917","1926","10.1039/C0OB00547A","","","0.71073","MoKα","","0.0844","0.0473","","","0.1126","0.13","","","","","","1.032","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151651","6.4285","0.0004","31.4664","0.0018","7.0702","0.0004","90","","106.517","0.002","90","","1371.16","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0489","0.0411","","","0.0989","0.1038","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151652","23.576","0.003","16.388","0.002","24.599","0.003","90","","91.441","0.002","90","","9501","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C104 H86 N4 Nd2 O20 Zn2 -","- C104 H85 N4 Nd2 O20 Zn2 -","- C416 H340 N16 Nd8 O80 Zn8 -","4","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0894","0.0578","","","0.1281","0.147","","","","","","0.997","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7151653","13.028","0.003","13.163","0.003","15.397","0.003","75.58","0.03","82.38","0.03","83.32","0.03","2525.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H45 N2 O11 Tb Zn -","- C53 H45 N2 O11 Tb Zn -","- C106 H90 N4 O22 Tb2 Zn2 -","2","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0586","0.0406","","","0.0955","0.0992","","","","","","0.986","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151654","13.056","0.004","13.146","0.004","15.367","0.005","75.54","0.003","82.406","0.004","83.166","0.004","2521.4","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H45 Ho N2 O11 Zn -","- C53 H45 Ho N2 O11 Zn -","- C106 H90 Ho2 N4 O22 Zn2 -","2","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0657","0.0523","","","0.1415","0.1497","","","","","","1.031","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151655","10.719","0.002","21.494","0.004","26.116","0.005","90","","90.83","0.03","90","","6016","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H57 N4 O14 Pr Zn2 -","- C68 H57 N4 O14 Pr Zn2 -","- C272 H228 N16 O56 Pr4 Zn8 -","4","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0973","0.0477","","","0.0916","0.1104","","","","","","0.939","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151656","5.6309","0.001","8.4895","0.0016","14.66","0.003","88.759","0.003","84.82","0.003","73.866","0.003","670.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Br2 N O -","- C14 H15 Br2 N O -","- C28 H30 Br4 N2 O2 -","2","1","","King, Frank D.; Aliev, Abil E.; Caddick, Stephen; Tocher, D. A.","A novel synthesis of (di)-benzazocinones via an endocyclic N-acyliminium ion cyclisation.","Organic & biomolecular chemistry","2011","9","5","1547","1554","10.1039/C0OB00559B","","","0.71073","MoKα","","0.0436","0.0384","","","0.1051","0.1097","","","","","","0.755","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151657","10.9351","0.0014","11.7459","0.0015","24.978","0.003","90","","90","","90","","3208.2","0.7","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(S)-2-methyl-N-((S)-1,1,1-trifluoro-4-oxo-4-phenylbutan-2-yl) propane-2-sulfinamide","(S)-2-methyl-N-((S)-1,1,1-trifluoro-4-oxo-4-phenylbutan-2-yl) propane-2-sulfinamide","","- C14 H18 F3 N O2 S -","- C14 H18 F3 N O2 S -","- C112 H144 F24 N8 O16 S8 -","8","2","","Mei, Haibo; Xiong, Yiwen; Han, Jianlin; Pan, Yi","A facile process for the asymmetric synthesis of β-trifluoromethylated β-amino ketones via addition of ketone enolates to sulfinylimine.","Organic & biomolecular chemistry","2011","9","5","1402","1406","10.1039/C0OB00586J","","","0.71073","MoKα","","0.0657","0.0348","","","0.0557","0.0592","","","","","","0.98","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151658","10.881","0.007","17.932","0.011","11.015","0.007","90","","104.754","0.01","90","","2078","2","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C96 H116 N4 O16 -","4","1","","Ramesh, Veera V. E.; Roy, Arup; Vijayadas, Kuruppanthara N.; Kendhale, Amol M.; Prabhakaran, Panchami; Gonnade, Rajesh; Puranik, Vedavati G.; Sanjayan, Gangadhar J.","Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers.","Organic & biomolecular chemistry","2011","9","2","367","369","10.1039/C0OB00593B","","","0.71073","MoKα","","0.1334","0.0912","","","0.2283","0.2556","","","","","","1.063","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151659","11.8387","0.0017","16.585","0.002","19.535","0.003","90","","90","","90","","3835.6","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Phthalimide","","","- C21 H14 N2 O7 -","- C21 H11 N2 O7 -","- C168 H88 N16 O56 -","8","1","","Ramesh, Veera V. E.; Roy, Arup; Vijayadas, Kuruppanthara N.; Kendhale, Amol M.; Prabhakaran, Panchami; Gonnade, Rajesh; Puranik, Vedavati G.; Sanjayan, Gangadhar J.","Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers.","Organic & biomolecular chemistry","2011","9","2","367","369","10.1039/C0OB00593B","","","0.71073","MoKα","","0.0707","0.0525","","","0.1466","0.1635","","","","","","1.032","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151660","12.27","0.0003","19.6334","0.0007","20.4221","0.0006","75.23","0.002","72.675","0.002","75.364","0.0014","4457.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H96 N16 O24 -","- C96 H96 N16 O24 -","- C192 H192 N32 O48 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1053","0.0748","","","0.2233","0.2492","","","","","","1.392","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151661","11.8003","0.0004","20.6248","0.0007","21.2868","0.0008","110.363","0.002","97.492","0.002","99.82","0.002","4683.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H102 N16 O25 -","- C99 H102 N16 O25 -","- C198 H204 N32 O50 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1424","0.0829","","","0.2032","0.2343","","","","","","1.37","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151662","11.1398","0.0003","22.0112","0.0006","22.5117","0.0006","113.189","0.002","100.427","0.0016","99.965","0.0011","4804.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C103 H110 N16 O25 -","- C103 H110 N16 O25 -","- C206 H220 N32 O50 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1549","0.0979","","","0.2643","0.3077","","","","","","1.323","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151663","11.8347","0.0003","20.5903","0.0005","22.5132","0.0007","113.258","0.002","95.992","0.002","100.282","0.002","4865.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C103 H110 N16 O25 -","- C103 H110 N16 O25 -","- C206 H220 N32 O50 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1702","0.0946","","","0.2234","0.2682","","","","","","1.217","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151664","11.9965","0.0003","20.2594","0.0005","22.8564","0.0005","114.695","0.001","96.967","0.0009","99.77","0.002","4857.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H104 N16 O24 -","- C100 H104 N16 O24 -","- C200 H208 N32 O48 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1175","0.0675","","","0.1598","0.1812","","","","","","1.12","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151665","12.0137","0.0003","20.275","0.0004","22.8339","0.0004","115.072","0.001","96.578","0.001","99.681","0.002","4857.3","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C102 H107 N17 O24 -","- C102 H107 N17 O24 -","- C204 H214 N34 O48 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.0951","0.0651","","","0.1754","0.1913","","","","","","1.23","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151666","12.6739","0.0005","20.5874","0.0007","25.8506","0.0009","77.841","0.003","77.976","0.002","74.025","0.002","6257.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C132 H163 N16 O25.5 -","- C132 H160 N16 O25.5 -","- C264 H320 N32 O51 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.2509","0.1458","","","0.3528","0.4282","","","","","","1.283","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151667","7.753","0.005","8.285","0.005","11.93","0.005","84.628","0.005","76.938","0.005","84.323","0.005","740.8","0.7","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","2,5-dichloro-8-formyl-4(4-methoxyphenyl)quinazoline","2,5-dichloro-8-formyl-4(4-methoxyphenyl)quinazoline","","- C16 H10 Cl2 N2 O2 -","- C16 H10 Cl2 N2 O2 -","- C32 H20 Cl4 N4 O4 -","2","1","","Crespo, Abel; Coelho, Alberto; Diz, Paula M.; Fernández, Franco; Novoa de Armas, Hector; Sotelo, Eddy","Convergent assembly of structurally diverse quinazolines.","Organic & biomolecular chemistry","2011","9","2","351","357","10.1039/C0OB00608D","","x-ray","0.71069","MoKα","","0.0899","0.0442","","","0.0985","0.107","","","","","","0.994","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151668","12.789","0.003","26.622","0.006","20.717","0.004","90","","127.862","0.01","90","","5569","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 F12 N2 O10 P2 -","- C56 H60 F12 N2 O10 P2 -","- C224 H240 F48 N8 O40 P8 -","4","1","","Xu, Zhikai; Jiang, Lasheng; Feng, Yahui; Zhang, Suhui; Liang, Jidong; Pan, Shaowu; Yang, Yu; Yang, Dengke; Cai, Yuepeng","One-pot synthesis of donor-acceptor [2]rotaxanes based on cryptand-paraquat recognition motif.","Organic & biomolecular chemistry","2011","9","4","1237","1243","10.1039/C0OB00629G","","","0.71073","MoKα","","0.2569","0.0996","","","0.2747","0.3605","","","","","","0.956","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151669","13.672","0.011","14.541","0.011","16.402","0.012","112.152","0.01","92.063","0.012","104.255","0.012","2897","4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 F12 N2 O10 P2 -","- C56 H68 F12 N2 O10 P2 -","- C112 H136 F24 N4 O20 P4 -","2","1","","Xu, Zhikai; Jiang, Lasheng; Feng, Yahui; Zhang, Suhui; Liang, Jidong; Pan, Shaowu; Yang, Yu; Yang, Dengke; Cai, Yuepeng","One-pot synthesis of donor-acceptor [2]rotaxanes based on cryptand-paraquat recognition motif.","Organic & biomolecular chemistry","2011","9","4","1237","1243","10.1039/C0OB00629G","","","0.71073","MoKα","","0.3528","0.1022","","","0.2318","0.3432","","","","","","0.949","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151670","13.677","0.003","17.347","0.004","34.994","0.007","90","","106.807","0.007","90","","7948","3","298","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 F12 N2 O11 P2 -","- C72 H94 F12 N2 O11 P2 -","- C288 H376 F48 N8 O44 P8 -","4","1","","Xu, Zhikai; Jiang, Lasheng; Feng, Yahui; Zhang, Suhui; Liang, Jidong; Pan, Shaowu; Yang, Yu; Yang, Dengke; Cai, Yuepeng","One-pot synthesis of donor-acceptor [2]rotaxanes based on cryptand-paraquat recognition motif.","Organic & biomolecular chemistry","2011","9","4","1237","1243","10.1039/C0OB00629G","","","0.71073","MoKα","","0.2465","0.1151","","","0.3135","0.4038","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151671","13.666","0.002","17.343","0.003","34.9","0.005","90","","106.726","0.005","90","","7922","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H92 F12 N2 O11 P2 -","- C72 H92 F12 N2 O11 P2 -","- C288 H368 F48 N8 O44 P8 -","4","1","","Xu, Zhikai; Jiang, Lasheng; Feng, Yahui; Zhang, Suhui; Liang, Jidong; Pan, Shaowu; Yang, Yu; Yang, Dengke; Cai, Yuepeng","One-pot synthesis of donor-acceptor [2]rotaxanes based on cryptand-paraquat recognition motif.","Organic & biomolecular chemistry","2011","9","4","1237","1243","10.1039/C0OB00629G","","","0.71073","MoKα","","0.2379","0.161","","","0.4757","0.5147","","","","","","1.717","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151672","6.5189","0.0001","10.7194","0.0002","11.0482","0.0002","65.732","0.001","77.573","0.001","80.693","0.001","684.99","0.02","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Br2 N O5 -","- C11 H11 Br2 N O5 -","- C22 H22 Br4 N2 O10 -","2","1","","Shearman, James W.; Myers, Rebecca M.; Brenton, James D.; Ley, Steven V.","Total syntheses of subereamollines A and B.","Organic & biomolecular chemistry","2011","9","1","62","65","10.1039/C0OB00636J","","","0.71073","MoKα","","0.059","0.0379","","","0.0876","0.0972","","","","","","1.01","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151673","10.9772","0.0001","25.2605","0.0003","10.1567","0.0002","90","","104.6","0.03","90","","2725.4","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br2 N O5 -","- C11 H11 Br2 N O5 -","- C88 H88 Br16 N8 O40 -","8","2","","Shearman, James W.; Myers, Rebecca M.; Brenton, James D.; Ley, Steven V.","Total syntheses of subereamollines A and B.","Organic & biomolecular chemistry","2011","9","1","62","65","10.1039/C0OB00636J","","","0.71073","MoKα","","0.0937","0.0471","","","0.0928","0.1063","","","","","","1.014","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151674","8.971","0.0002","10.6189","0.0002","22.6185","0.0006","90","","90","","90","","2154.69","0.08","250","2","250","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H6 Br2 O4 -","- C10 H6 Br2 O4 -","- C80 H48 Br16 O32 -","8","2","","Shearman, James W.; Myers, Rebecca M.; Brenton, James D.; Ley, Steven V.","Total syntheses of subereamollines A and B.","Organic & biomolecular chemistry","2011","9","1","62","65","10.1039/C0OB00636J","","","0.71073","MoKα","","0.0587","0.0462","","","0.1169","0.1354","","","","","","1.074","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151675","20.618","0.003","4.6216","0.0006","16.874","0.002","90","","117.449","0.002","90","","1426.9","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 N2 O5 -","- C13 H20 N2 O5 -","- C52 H80 N8 O20 -","4","0.5","","Zhang, Yagang; Song, Di; Brown, Julius C.; Shimizu, Ken D.","Suppression of background sites in molecularly imprinted polymers via urea-urea monomer aggregation.","Organic & biomolecular chemistry","2011","9","1","120","126","10.1039/C0OB00637H","","","0.71073","MoKα","","0.0517","0.0362","","","0.0888","0.0948","","","","","","0.951","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151676","8.779","0.0002","15.427","0.0004","12.67","0.0004","90","","94.858","0.002","90","","1709.78","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F3 N O3 -","- C20 H14 F3 N O3 -","- C80 H56 F12 N4 O12 -","4","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.0925","0.0589","","","0.1862","0.2306","","","","","","0.863","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151677","7.811","0.0002","8.3322","0.0002","12.4088","0.0004","70.775","0.001","89.288","0.001","78.72","0.001","746.65","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Br N2 O3 -","- C15 H15 Br N2 O3 -","- C30 H30 Br2 N4 O6 -","2","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.062","0.0491","","","0.1081","0.1159","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151678","9.8444","0.0004","10.7537","0.0004","17.1394","0.0008","90","","100.088","0.002","90","","1786.39","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.156","0.0611","","","0.1618","0.244","","","","","","0.99","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151679","11.2975","0.0002","15.8036","0.0003","20.145","0.0006","90","","90","","90","","3596.71","0.14","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C19 H16 N2 O6 -","- C19 H16 N2 O6 -","- C152 H128 N16 O48 -","8","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.0913","0.0543","","","0.1566","0.1938","","","","","","1.076","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151680","7.8329","0.0003","16.6085","0.0006","13.2043","0.0005","90","","101.014","0.002","90","","1686.14","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N O4 -","- C19 H16 Cl N O4 -","- C76 H64 Cl4 N4 O16 -","4","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.0586","0.0411","","","0.119","0.1432","","","","","","1.164","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151681","9.851","0.002","11.303","0.002","15.868","0.003","82.36","0.03","76.88","0.03","64.54","0.03","1552.4","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 N O7 -","- C38 H36 N O7 -","- C76 H72 N2 O14 -","2","1","","Liu, Jia; Wang, Xi; Sun, Chang-Liang; Li, Bi-Jie; Shi, Zhang-Jie; Wang, Min","New strategy to construct fused/bridged/spiro carbocyclic scaffolds based on the design of novel 6-C synthon precursor.","Organic & biomolecular chemistry","2011","9","5","1572","1577","10.1039/C0OB00660B","","","0.71073","MoKα","","0.0883","0.0775","","","0.1767","0.1831","","","","","","1.211","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151682","12.624","0.003","10.895","0.002","21.852","0.004","90","","104.9","0.03","90","","2904.4","1.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 O13 -","- C31 H34 O13 -","- C124 H136 O52 -","4","1","","Liu, Jia; Wang, Xi; Sun, Chang-Liang; Li, Bi-Jie; Shi, Zhang-Jie; Wang, Min","New strategy to construct fused/bridged/spiro carbocyclic scaffolds based on the design of novel 6-C synthon precursor.","Organic & biomolecular chemistry","2011","9","5","1572","1577","10.1039/C0OB00660B","","","0.71073","MoKα","","0.1659","0.0649","","","0.0734","0.0871","","","","","","0.99","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151683","9.7745","0.0006","9.7915","0.0004","20.5118","0.0009","90","","90","","90","","1963.12","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N3 O8 -","- C20 H17 N3 O8 -","- C80 H68 N12 O32 -","4","1","","Sen, Subhabrata; Potti, Venkata R.; Surakanti, Ramu; Murthy, Y. L. N.; Pallepogu, Raghavaiah","Enantioselective synthesis of spirooxoindoles via chiral auxiliary (bicyclic lactam) controlled SNAr reactions.","Organic & biomolecular chemistry","2011","9","2","358","360","10.1039/C0OB00661K","","","0.71073","MoKα","","0.0805","0.0406","","","0.0662","0.0733","","","","","","0.833","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151684","7.471","0.0001","8.305","0.0001","21.194","0.0004","90","","90","","90","","1315.02","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Sunderland, Peter T.; Dhami, Archana; Mahon, Mary F.; Jones, Louise A.; Tully, Sophie R.; Lloyd, Matthew D.; Thompson, Andrew S.; Javaid, Hashim; Martin, Niall M. B.; Threadgill, Michael D.","Synthesis of 4-alkyl-, 4-aryl- and 4-arylamino-5-aminoisoquinolin-1-ones and identification of a new PARP-2 selective inhibitor.","Organic & biomolecular chemistry","2011","9","3","881","891","10.1039/C0OB00665C","","","0.71073","MoKα","","0.0725","0.0426","","","0.0893","0.1022","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151685","8.618","0.0004","9.912","0.0004","10.226","0.0005","114.347","0.002","108.553","0.002","100.738","0.002","701.65","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Br N2 O3 -","- C16 H11 Br N2 O3 -","- C32 H22 Br2 N4 O6 -","2","1","","Sunderland, Peter T.; Dhami, Archana; Mahon, Mary F.; Jones, Louise A.; Tully, Sophie R.; Lloyd, Matthew D.; Thompson, Andrew S.; Javaid, Hashim; Martin, Niall M. B.; Threadgill, Michael D.","Synthesis of 4-alkyl-, 4-aryl- and 4-arylamino-5-aminoisoquinolin-1-ones and identification of a new PARP-2 selective inhibitor.","Organic & biomolecular chemistry","2011","9","3","881","891","10.1039/C0OB00665C","","","0.71073","MoKα","","0.0421","0.0303","","","0.0642","0.068","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151686","13.988","0.0002","10.997","0.0002","16.197","0.0002","90","","95.645","0.001","90","","2479.44","0.07","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C32 H24 N2 O4 -","- C32 H23 N2 O4 -","- C128 H92 N8 O16 -","4","1","","Sunderland, Peter T.; Dhami, Archana; Mahon, Mary F.; Jones, Louise A.; Tully, Sophie R.; Lloyd, Matthew D.; Thompson, Andrew S.; Javaid, Hashim; Martin, Niall M. B.; Threadgill, Michael D.","Synthesis of 4-alkyl-, 4-aryl- and 4-arylamino-5-aminoisoquinolin-1-ones and identification of a new PARP-2 selective inhibitor.","Organic & biomolecular chemistry","2011","9","3","881","891","10.1039/C0OB00665C","","","0.71073","MoKα","","0.0836","0.0649","","","0.1729","0.186","","","","","","1.098","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151687","8.2259","0.0012","12.3386","0.0017","9.1136","0.0013","90","","97.552","0.002","90","","917","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Br N O5 -","- C20 H16 Br N O5 -","- C40 H32 Br2 N2 O10 -","2","1","","Jin, Zhichao; Yu, Feng; Wang, Xiao; Huang, Huicai; Luo, Xiaoyan; Liang, Xinmiao; Ye, Jinxing","A one-pot asymmetric organocatalytic tandem reaction for the synthesis of oxazine derivatives.","Organic & biomolecular chemistry","2011","9","6","1809","1816","10.1039/C0OB00669F","","","0.71073","MoKα","","0.0661","0.0468","","","0.1032","0.1086","","","","","","0.896","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151688","9.6263","0.0013","14.1765","0.0014","16.473","0.002","90","","90","","90","","2248","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 F3 N2 O2 S -","- C24 H25 F3 N2 O2 S -","- C96 H100 F12 N8 O8 S4 -","4","1","","Grellepois, Fabienne; Nonnenmacher, Jean; Lachaud, Fabien; Portella, Charles","Enantiomerically pure 2-aryl(alkyl)-2-trifluoromethylaziridines: synthesis and ring opening with selected O- and N-nucleophiles.","Organic & biomolecular chemistry","2011","9","4","1160","1168","10.1039/C0OB00690D","","x-ray","0.71073","MoKα","","0.0566","0.042","","","0.0978","0.1031","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151689","9.7065","0.0007","9.7065","0.0007","45.227","0.005","90","","90","","90","","4261.1","0.6","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C21 H20 F5 N O2 S -","- C21 H20 F5 N O2 S -","- C168 H160 F40 N8 O16 S8 -","8","1","","Li, Peng; Liu, Li-Juan; Liu, Jin-Tao","Per(poly)fluoroalkanesulfinamides assisted diastereoselective three-component inverse-electron-demand aza Diels-Alder reaction.","Organic & biomolecular chemistry","2011","9","1","74","77","10.1039/C0OB00699H","","","0.71073","MoKα","","0.1385","0.04","","","0.058","0.0781","","","","","","0.874","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151690","12.1841","0.0015","5.7816","0.0007","24.406","0.003","90","","99.492","0.002","90","","1695.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl F7 N O2 S -","- C14 H11 Cl F7 N O2 S -","- C56 H44 Cl4 F28 N4 O8 S4 -","4","1","","Li, Peng; Liu, Li-Juan; Liu, Jin-Tao","Per(poly)fluoroalkanesulfinamides assisted diastereoselective three-component inverse-electron-demand aza Diels-Alder reaction.","Organic & biomolecular chemistry","2011","9","1","74","77","10.1039/C0OB00699H","","","0.71073","MoKα","","0.0885","0.0732","","","0.2257","0.2394","","","","","","1.073","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151691","10.7328","0.001","12.0282","0.001","19.7768","0.0018","90","","90","","90","","2553.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 N O9 -","- C25 H33 N O9 -","- C100 H132 N4 O36 -","4","1","","Kurhade, Suresh E.; Mengawade, Tanaji; Bhuniya, Debnath; Palle, Venkata P.; Reddy, D. Srinivasa","Synthesis of novel sugar-lactam conjugates using the Aubé reaction.","Organic & biomolecular chemistry","2011","9","3","744","747","10.1039/C0OB00719F","","","0.71073","MoKα","","0.1458","0.0571","","","0.0866","0.1055","","","","","","0.956","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151692","6.771","0.0003","26.804","0.0015","7.448","0.0003","90","","89.867","0.003","90","","1351.73","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","2","","Jeffs, Laura; Arquier, Damien; Kariuki, Benson; Bethell, Donald; Page, Philip C Bulman; Hutchings, Graham J.","On the enantioselectivity of aziridination of styrene catalysed by copper triflate and copper-exchanged zeolite Y: consequences of the phase behaviour of enantiomeric mixtures of N-arene-sulfonyl-2-phenylaziridines.","Organic & biomolecular chemistry","2011","9","4","1079","1084","10.1039/C0OB00724B","","","0.71073","MoKα","","0.1178","0.0964","","","0.2224","0.235","","","","","","1.062","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151693","13.483","0.0005","7.543","0.0003","14.765","0.0005","90","","114.997","0.002","90","","1360.98","0.09","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","1","","Jeffs, Laura; Arquier, Damien; Kariuki, Benson; Bethell, Donald; Page, Philip C Bulman; Hutchings, Graham J.","On the enantioselectivity of aziridination of styrene catalysed by copper triflate and copper-exchanged zeolite Y: consequences of the phase behaviour of enantiomeric mixtures of N-arene-sulfonyl-2-phenylaziridines.","Organic & biomolecular chemistry","2011","9","4","1079","1084","10.1039/C0OB00724B","","","0.71073","MoKα","","0.065","0.045","","","0.0997","0.109","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151694","10.158","0.003","14.069","0.004","17.637","0.004","90","","99.962","0.011","90","","2482.6","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 N3 O7 -","- C21 H31 N3 O7 -","- C84 H124 N12 O28 -","4","1","","Desmarchelier, Alaric; Marrot, Jérôme; Moreau, Xavier; Greck, Christine","Asymmetric organocatalytic Michael-α-amination sequence for the construction of a quaternary stereocenter.","Organic & biomolecular chemistry","2011","9","4","994","997","10.1039/C0OB00751J","","","0.71073","MoKα","","0.0861","0.0659","","","0.1933","0.2158","","","","","","1.216","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151695","23.0916","0.0013","7.3204","0.0004","38.0041","0.0018","90","","97.32","0.003","90","","6371.8","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C320 H256 N32 O16 -","16","2","","Wu, Hung-Chou; Hwang, Long-Chih; Wu, Ming-Jung","A copper-mediated cyclization reaction of hydrazine with enediynones providing pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2011","9","3","670","672","10.1039/C0OB00756K","","","0.71073","MoKα","","0.0688","0.0454","","","0.1279","0.1535","","","","","","1.041","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151696","14.2593","0.0003","12.1166","0.0003","19.4748","0.0005","90","","101.738","0.001","90","","3294.38","0.14","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C38 H42 Cu2 N4 -","- C38 H38 Cu2 N4 -","- C152 H152 Cu8 N16 -","4","1","","Wu, Hung-Chou; Hwang, Long-Chih; Wu, Ming-Jung","A copper-mediated cyclization reaction of hydrazine with enediynones providing pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2011","9","3","670","672","10.1039/C0OB00756K","","","0.71073","MoKα","","0.058","0.0432","","","0.1097","0.1192","","","","","","1.037","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151697","9.3101","0.0002","9.2508","0.0003","11.242","0.0004","69.333","0.001","84.453","0.001","76.764","0.001","881.72","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 Cl Cu N2 O -","- C17 H19 Cl Cu N2 O -","- C34 H38 Cl2 Cu2 N4 O2 -","2","1","","Wu, Hung-Chou; Hwang, Long-Chih; Wu, Ming-Jung","A copper-mediated cyclization reaction of hydrazine with enediynones providing pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2011","9","3","670","672","10.1039/C0OB00756K","","","0.71073","MoKα","","0.0866","0.0799","","","0.1958","0.2017","","","","","","1.038","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151698","6.0102","0.0006","10.0194","0.0009","15.9053","0.0015","81.28","0.002","83.245","0.002","75.899","0.002","914.94","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","1","","Sada, Mutsumi; Nomura, Kenichi; Matsubara, Seijiro","A tandem reaction of organozinc reagent prepared from palladium-catalyzed umpolung method: diastereoselective formation of cyclohexene derivatives bearing three adjacent stereocenters.","Organic & biomolecular chemistry","2011","9","5","1389","1393","10.1039/C0OB00806K","","","0.71073","MoKα","","0.0625","0.0541","","","0.1829","0.199","","","","","","0.823","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151699","8.894","0.0003","8.467","0.0003","15.2509","0.0006","90","","90","","90","","1148.48","0.07","260","2","260","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Smith, Catherine J.; Smith, Christopher D.; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","Flow synthesis of organic azides and the multistep synthesis of imines and amines using a new monolithic triphenylphosphine reagent.","Organic & biomolecular chemistry","2011","9","6","1927","1937","10.1039/C0OB00813C","","","0.71073","MoKα","","0.0399","0.0338","","","0.0851","0.0907","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151700","7.4355","0.0001","8.5948","0.0002","13.7214","0.0003","88.715","0.001","89.784","0.001","68.818","0.001","817.43","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H3 Br N4 -","- C7 H3 Br N4 -","- C28 H12 Br4 N16 -","4","2","","Smith, Catherine J.; Smith, Christopher D.; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","Flow synthesis of organic azides and the multistep synthesis of imines and amines using a new monolithic triphenylphosphine reagent.","Organic & biomolecular chemistry","2011","9","6","1927","1937","10.1039/C0OB00813C","","","0.71073","MoKα","","0.0541","0.0402","","","0.1012","0.1102","","","","","","1.023","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151701","27.8326","0.0007","6.2301","0.0002","11.8916","0.0003","90","","94.99","0.03","90","","2054.19","0.14","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 N5 O -","- C10 H9 N5 O -","- C80 H72 N40 O8 -","8","1","","Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.","A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.","Organic & biomolecular chemistry","2011","9","6","1938","1947","10.1039/C0OB00815J","","","0.71073","MoKα","","0.0593","0.0465","","","0.1161","0.1257","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151702","10.1129","0.0002","14.736","0.0005","7.3628","0.0002","90","","118.152","0.003","90","","967.43","0.05","180","2","180","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H7 N5 -","- C11 H7 N5 -","- C44 H28 N20 -","4","1","","Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.","A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.","Organic & biomolecular chemistry","2011","9","6","1938","1947","10.1039/C0OB00815J","","","0.71073","MoKα","","0.036","0.0308","","","0.0702","0.0727","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151703","33.4277","0.0008","6.1102","0.0002","12.4082","0.0003","90","","106.375","0.002","90","","2431.57","0.12","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N5 -","- C12 H13 N5 -","- C96 H104 N40 -","8","1","","Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.","A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.","Organic & biomolecular chemistry","2011","9","6","1938","1947","10.1039/C0OB00815J","","","0.71073","MoKα","","0.0681","0.047","","","0.1327","0.1412","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151704","7.2576","0.0002","8.4262","0.0002","8.8405","0.0002","97.305","0.001","110.101","0.001","90.585","0.001","502.74","0.02","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 Br N6 -","- C10 H5 Br N6 -","- C20 H10 Br2 N12 -","2","1","","Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.","A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.","Organic & biomolecular chemistry","2011","9","6","1938","1947","10.1039/C0OB00815J","","","0.71073","MoKα","","0.0401","0.032","","","0.0772","0.0811","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151705","6.9783","0.0003","11.2514","0.0005","14.4801","0.0007","90","","91.389","0.002","90","","1136.58","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H28 N2 O6 Se2 -","- C18 H28 N2 O6 Se2 -","- C36 H56 N4 O12 Se4 -","2","1","","Bhuyan, Bhaskar J.; Mugesh, Govindasamy","Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.","Organic & biomolecular chemistry","2011","9","5","1356","1365","10.1039/C0OB00823K","","","0.71073","MoKα","","0.0587","0.038","","","0.0708","0.0775","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151706","5.3658","0.0011","10.1748","0.0018","10.905","0.002","82.918","0.011","88.385","0.011","78.119","0.012","578.17","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H36 Br N2 O3 -","- C21 H36 Br N2 O3 -","- C21 H36 Br N2 O3 -","1","1","","Bhuyan, Bhaskar J.; Mugesh, Govindasamy","Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.","Organic & biomolecular chemistry","2011","9","5","1356","1365","10.1039/C0OB00823K","","","0.71073","MoKα","","0.1794","0.095","","","0.2661","0.3022","","","","","","0.921","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151707","5.7334","0.0009","7.899","0.0012","47.642","0.007","90","","90","","90","","2157.6","0.6","293","2","293","2","","","","","","","","4","P 21 a b","P -2b 2a","29","","","","- C10 H12 O3 Se -","- C10 H12 O3 Se -","- C80 H96 O24 Se8 -","8","2","","Bhuyan, Bhaskar J.; Mugesh, Govindasamy","Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.","Organic & biomolecular chemistry","2011","9","5","1356","1365","10.1039/C0OB00823K","","","0.71073","MoKα","","0.0789","0.0529","","","0.0921","0.0993","","","","","","1.149","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151708","5.654","0.0009","7.4586","0.0012","13.1","0.002","90","","99.649","0.003","90","","544.62","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou","Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.","Organic & biomolecular chemistry","2011","9","2","382","386","10.1039/C0OB00834F","","","0.71073","MoKα","","0.0439","0.0369","","","0.0849","0.0881","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151709","6.8992","0.0008","6.9979","0.0008","24.978","0.003","90","","90","","90","","1205.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C48 H48 Br4 N4 O16 -","4","1","","Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou","Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.","Organic & biomolecular chemistry","2011","9","2","382","386","10.1039/C0OB00834F","","","0.71073","MoKα","","0.0304","0.025","","","0.0492","0.05","","","","","","0.984","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151710","5.331","0.002","7.848","0.003","14.735","0.006","90","","95.877","0.006","90","","613.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou","Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.","Organic & biomolecular chemistry","2011","9","2","382","386","10.1039/C0OB00834F","","","0.71073","MoKα","","0.0327","0.032","","","0.0854","0.0879","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151711","9.7651","0.0006","11.2401","0.0008","11.3429","0.0009","76.03","0.001","81.135","0.001","73.662","0.001","1154.42","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Cl N3 O2 -","- C27 H26 Cl N3 O2 -","- C54 H52 Cl2 N6 O4 -","2","1","","He, Ping; Nie, Yi-Bo; Wu, Jing; Ding, Ming-Wu","Unexpected synthesis of indolo[1,2-c]quinazolines by a sequential Ugi 4CC-Staudinger-aza-Wittig-nucleophilic addition reaction.","Organic & biomolecular chemistry","2011","9","5","1429","1436","10.1039/C0OB00855A","","","0.71073","MoKα","","0.0533","0.046","","","0.1267","0.1319","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7151712","9.4053","0.0003","9.7021","0.0004","21.9587","0.001","90","","92.978","0.002","90","","2001.05","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Cheetham, Caroline A.; Massey, Richard S.; Pira, Silvain L.; Pritchard, Robin G.; Wallace, Timothy W.","Atroposelective formation of dibenz[c,e]azepines via intramolecular direct arylation with centre-axis chirality transfer.","Organic & biomolecular chemistry","2011","9","6","1831","1838","10.1039/C0OB00889C","","x-ray","0.71073","MoKα","","0.1888","0.0861","","","0.166","0.2154","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151713","13.333","0.002","10.094","0.002","11.308","0.004","90","","109.94","0.02","90","","1430.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.","Organic & biomolecular chemistry","2011","9","6","1887","1900","10.1039/C0OB00899K","","","0.7107","MoKα","","0.0692","0.0468","","","0.1245","0.1347","","","","","","1.214","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151714","6.6455","0.0007","12.928","0.0013","12.943","0.0013","101.997","0.002","90.461","0.002","94.532","0.002","1083.94","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 N7 -","- C24 H22 N7 -","- C48 H44 N14 -","2","1","","Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.","Organic & biomolecular chemistry","2011","9","6","1887","1900","10.1039/C0OB00899K","","","0.71073","MoKα","","0.0669","0.0501","","","0.1227","0.1327","","","","","","1.03","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151715","34.582","0.002","10.1577","0.0006","8.339","0.0005","90","","92.891","0.001","90","","2925.5","0.3","295","2","295","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C20 H32 N4 -","- C20 H32 N4 -","- C120 H192 N24 -","6","3","","Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.","Organic & biomolecular chemistry","2011","9","6","1887","1900","10.1039/C0OB00899K","","","0.71073","MoKα","","0.1034","0.0464","","","0.087","0.1043","","","","","","1.012","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151716","10.247","0.004","11.52","0.004","34.634","0.013","90","","102.208","0.007","90","","3996","3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N5 -","- C24 H22 N5 -","- C192 H176 N40 -","8","2","","Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.","Organic & biomolecular chemistry","2011","9","6","1887","1900","10.1039/C0OB00899K","","","0.71073","MoKα","","0.1712","0.0859","","","0.1414","0.1612","","","","","","1.038","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151717","12.173","0.002","14.445","0.002","8.223","0.002","90","","103.46","0.02","90","","1406.2","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 I O3 -","- C17 H9 I O3 -","- C68 H36 I4 O12 -","4","1","","Raffa, Guillaume; Belot, Sébastien; Balme, Geneviève; Monteiro, Nuno","Iodocyclization versus diiodination in the reaction of 3-alkynyl-4-methoxycoumarins with iodine: Synthesis of 3-iodofuro[2,3-b]chromones.","Organic & biomolecular chemistry","2011","9","5","1474","1478","10.1039/C0OB00935K","","","0.7107","MoKα","","0.1292","0.0934","","0.3093","0.2532","0.3093","","","","","","0.9991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151718","18.6185","0.0003","14.0017","0.0003","14.1965","0.0003","90","","107.82","0.002","90","","3523.34","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 I2 O3 -","- C18 H12 I2 O3 -","- C144 H96 I16 O24 -","8","2","","Raffa, Guillaume; Belot, Sébastien; Balme, Geneviève; Monteiro, Nuno","Iodocyclization versus diiodination in the reaction of 3-alkynyl-4-methoxycoumarins with iodine: Synthesis of 3-iodofuro[2,3-b]chromones.","Organic & biomolecular chemistry","2011","9","5","1474","1478","10.1039/C0OB00935K","","","0.7107","MoKα","","0.0487","0.0343","","0.0755","0.0674","0.0755","","","","","","1.0021","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151719","10.27","0.003","11.202","0.003","18.897","0.006","90","","90","","90","","2174","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Liu, Tang-Lin; Xue, Zhi-Yong; Tao, Hai-Yan; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar cycloaddition of N-unprotected 2-oxoindolin-3-ylidene derivatives and azomethine ylides for the construction of spirooxindole-pyrrolidines.","Organic & biomolecular chemistry","2011","9","6","1980","1986","10.1039/C0OB00943A","","","0.71073","MoKα","","0.036","0.0309","","","0.0785","0.0822","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151720","16.012","0.01","11.932","0.007","19.682","0.012","90","","104.571","0.008","90","","3639","4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 F10 N5 O -","- C16 H9 F10 N5 O -","- C128 H72 F80 N40 O8 -","8","2","","Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut","Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.","Organic & biomolecular chemistry","2011","9","6","1972","1979","10.1039/C0OB00947D","","","0.71073","MoKα","","0.0815","0.0499","","","0.1123","0.1277","","","","","","1.022","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151721","14.5032","0.001","9.6882","0.0007","44.522","0.003","90","","90","","90","","6255.8","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H31 N5 O4 -","- C37 H31 N5 O4 -","- C296 H248 N40 O32 -","8","1","","Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut","Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.","Organic & biomolecular chemistry","2011","9","6","1972","1979","10.1039/C0OB00947D","","","0.71073","MoKα","","0.1005","0.0879","","","0.2308","0.2407","","","","","","1.161","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151722","6.8654","0.0013","34.567","0.006","7.138","0.0014","90","","98.565","0.004","90","","1675.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H22 F10 N5 O6 -","- C36 H22 F10 N5 O6 -","- C72 H44 F20 N10 O12 -","2","0.5","","Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut","Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.","Organic & biomolecular chemistry","2011","9","6","1972","1979","10.1039/C0OB00947D","","","0.71073","MoKα","","0.04","0.0334","","","0.0842","0.0889","","","","","","1.078","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151723","4.7615","0.0005","11.9406","0.0012","21.373","0.002","90","","93.296","0.002","90","","1213.2","0.2","100","","100","","","","","","","","diethylether,pentane","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","","Böß, Esther; Hillringhaus, Tim; Nitsch, Jacqueline; Klussmann, Martin","Lewis acid-catalysed one pot synthesis of substituted xanthenes.","Organic & biomolecular chemistry","2011","9","6","1744","1748","10.1039/C0OB00954G","","","0.71073","Mo-Kα","","0.0566","0.0448","","","0.1263","0.1358","","","","","","1.037","","","","has coordinates","276358","2022-06-28","17:19:16",""
"7151724","7.3745","0.0019","8.763","0.003","10.395","0.002","99.79","0.02","110.27","0.02","98.47","0.03","605.3","0.3","100","","100","","","","","","","","Et2O, pentane","3","P -1","-P 1","2","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","Böß, Esther; Hillringhaus, Tim; Nitsch, Jacqueline; Klussmann, Martin","Lewis acid-catalysed one pot synthesis of substituted xanthenes.","Organic & biomolecular chemistry","2011","9","6","1744","1748","10.1039/C0OB00954G","","","0.71073","MoKα","","0.0618","0.0456","","","0.122","0.1339","","","","","","1.043","","","","has coordinates","276358","2022-06-28","17:19:16",""
"7151725","8.3831","0.001","11.7677","0.0015","15.012","0.0019","90","","90","","90","","1480.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Si -","- C20 H16 Si -","- C80 H64 Si4 -","4","1","","Tanikawa, Tomoharu; Saito, Masaichi; Guo, Jing Dong; Nagase, Shigeru","Synthesis, structures and optical properties of trisilasumanene and its related compounds.","Organic & biomolecular chemistry","2011","9","6","1731","1735","10.1039/C0OB00987C","","","0.71073","MoKα","","0.0406","0.0381","","","0.0978","0.1005","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151726","6.0046","0.0014","6.104","0.0014","12.099","0.003","90","","103.144","0.004","90","","431.84","0.18","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C16 H26 N2 O6 -","2","1","","Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain","Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids.","Organic & biomolecular chemistry","2011","9","6","1901","1907","10.1039/C0OB01019G","","","0.71073","MoKα","","0.036","0.0319","","","0.0832","0.0855","","","","","","1.106","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151727","9.5861","0.001","14.757","0.0015","19.402","0.002","90","","90","","90","","2744.6","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Br2 N2 O4 -","- C30 H30 Br2 N2 O4 -","- C120 H120 Br8 N8 O16 -","4","1","","Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain","Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids.","Organic & biomolecular chemistry","2011","9","6","1901","1907","10.1039/C0OB01019G","","","0.71073","MoKα","","0.1119","0.0652","","","0.1519","0.1826","","","","","","1.142","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151728","9.772","0.002","17.25","0.004","11.937","0.002","90","","97.6","0.03","90","","1994.5","0.7","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H52 Cl N O11 -","- C37 H52 Cl N O11 -","- C74 H104 Cl2 N2 O22 -","2","1","","Yu, Jipan; Miao, Zhiwei; Chen, Ruyu","Highly efficient asymmetric vinylogous Mannich reaction induced by O-pivaloylated d-galactosylamine as the chiral auxiliary.","Organic & biomolecular chemistry","2011","9","6","1756","1762","10.1039/C0OB01048K","","","0.71073","MoKα","","0.0655","0.0534","","","0.1276","0.1373","","","","","","1.017","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151729","7.5239","0.0004","13.8384","0.0008","22.5279","0.0014","90","","90","","90","","2345.6","0.2","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H18 N4 -","- C32 H18 N4 -","- C128 H72 N16 -","4","0.5","","Lin, Yi-Chun; Lin, Chih-Hsiu; Chen, Chan-Yu; Sun, Shih-Sheng; Pal, Bikash","Synthesis of electron deficient acene derivatives via a bidirectional iterative elongation reaction","Organic & Biomolecular Chemistry","2011","9","12","4507","","10.1039/c0ob00575d","","","0.71073","MoKα","","0.1515","0.049","","","0.1062","0.1486","","","","","","0.91","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151730","8.0678","0.0001","16.6957","0.0002","9.6537","0.0001","90","","99.437","0.001","90","","1282.73","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","1,2-syn-2,3-anti-iodoalcohol","(1S,2S,3S)-1-(2',2',2'-trichloromethylcarbonylamino)-2-hydroxy-3-iodocyclohexane","","- C8 H11 Cl3 I N O2 -","- C8 H11 Cl3 I N O2 -","- C32 H44 Cl12 I4 N4 O8 -","4","2","","Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew","Stereoselective synthesis of polyhydroxylated aminocyclohexanes.","Organic & biomolecular chemistry","2011","9","8","2801","2808","10.1039/c0ob00619j","","","0.71073","MoKα","","0.0449","0.0313","","","","0.0585","","","","","","0.977","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151731","39.705","0.002","5.8312","0.0003","20.2162","0.0014","90","","91.296","0.002","90","","4679.4","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1S,2S,3S,4S)-1-(2?,2?,2?-trichloromethylcarbonylamino)-2,3,4- trihydroxycyclohexane ?","","- C8 H12 Cl3 N O4 -","- C8 H12 Cl3 N O4 -","- C128 H192 Cl48 N16 O64 -","16","4","","Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew","Stereoselective synthesis of polyhydroxylated aminocyclohexanes.","Organic & biomolecular chemistry","2011","9","8","2801","2808","10.1039/c0ob00619j","","","0.71073","MoKα","","0.1714","0.0752","","","","0.1434","","","","","","1.059","","","","has coordinates,has disorder","193998","2020-10-21","18:00:00",""
"7151732","9.4283","0.0016","10.252","0.002","14.872","0.004","77.695","0.017","79.25","0.017","71.711","0.014","1322.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Compound-24A","","","- C34 H30 N2 O -","- C34 H30 N2 O -","- C68 H60 N4 O2 -","2","1","","He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.","Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.","Organic & biomolecular chemistry","2011","9","8","2685","2701","10.1039/c0ob00657b","","","0.71073","MoKα","","0.0826","0.0517","","","0.1156","0.1313","","","","","","1.01","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151733","10.5806","0.0005","10.1271","0.0005","40.3707","0.0018","90","","90","","90","","4325.8","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Compound-66","","","- C24 H26 N4 O3 S -","- C24 H26 N4 O3 S -","- C192 H208 N32 O24 S8 -","8","2","","He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.","Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.","Organic & biomolecular chemistry","2011","9","8","2685","2701","10.1039/c0ob00657b","","","0.71073","MoKα","","0.05","0.0425","","","0.0916","0.095","","","","","","1.085","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151734","16.9209","0.0013","10.9678","0.0009","19.3539","0.0015","90","","114.309","0.001","90","","3273.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Compound-72","","","- C30 H35 Cl2 N7 O5 S2 -","- C30 H35 Cl2 N7 O5 S2 -","- C120 H140 Cl8 N28 O20 S8 -","4","1","","He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.","Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.","Organic & biomolecular chemistry","2011","9","8","2685","2701","10.1039/c0ob00657b","","","0.71073","MoKα","","0.056","0.0445","","","0.1164","0.1247","","","","","","1.027","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151735","8.3372","0.0004","10.931","0.0007","9.7141","0.0003","90","","94.165","0.003","90","","882.95","0.08","208","2","208","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne","Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.","Organic & biomolecular chemistry","2011","9","7","2286","2293","10.1039/c0ob00735h","","","0.71073","MoKα","","0.0537","0.0429","","0.1012","0.0959","0.1012","","","1.098","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151736","6.8264","0.0003","8.0831","0.0003","12.8838","0.0011","91.219","0.004","96.917","0.006","94.85","0.004","702.85","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O6 -","- C17 H14 O6 -","- C34 H28 O12 -","2","1","","Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne","Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.","Organic & biomolecular chemistry","2011","9","7","2286","2293","10.1039/c0ob00735h","","","0.71073","MoKα","","0.1218","0.1001","","0.3089","0.2932","0.3089","","","1.076","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151737","8.1223","0.0003","7.04","0.0005","13.0388","0.0003","90","","107.502","0.004","90","","711.06","0.06","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C17 H14 O6 -","- C17 H14 O6 -","- C34 H28 O12 -","2","1","","Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne","Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.","Organic & biomolecular chemistry","2011","9","7","2286","2293","10.1039/c0ob00735h","","","0.71073","MoKα","","0.0397","0.0341","","0.0797","0.077","0.0797","","","1.083","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151738","6.6845","0.0009","7.9964","0.001","26.937","0.003","90","","94.935","0.008","90","","1434.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O6 -","- C17 H14 O6 -","- C68 H56 O24 -","4","1","","Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne","Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.","Organic & biomolecular chemistry","2011","9","7","2286","2293","10.1039/c0ob00735h","","","0.71073","MoKα","","0.135","0.0793","","0.1847","0.1549","0.1847","","","1.185","","","1.185","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151739","8.558","0.0012","15.813","0.002","16.673","0.002","90","","98.473","0.005","90","","2231.7","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Br N2 O6 -","- C24 H23 Br N2 O6 -","- C96 H92 Br4 N8 O24 -","4","1","","Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying","The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.","Organic & biomolecular chemistry","2011","9","7","2166","2174","10.1039/c0ob00746c","","","0.71073","MoKα","","0.043","0.0317","","","0.0676","0.0707","","","","","","0.978","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151740","29.508","0.001","29.508","0.001","12.139","0.001","90","","90","","90","","10569.7","1","293","2","293","2","","","","","","","","5","P -4","P -4","81","","?(5S,6R)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5-(2-pyridyl)- 5,6-dihydrobenzo[d]furo[3,2-b]azepine-2,3-dicarboxylate","","- C24 H23 Br N2 O6 -","- C24 H23 Br N2 O6 -","- C384 H368 Br16 N32 O96 -","16","4","","Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying","The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.","Organic & biomolecular chemistry","2011","9","7","2166","2174","10.1039/c0ob00746c","","","0.71073","MoKα","","0.0735","0.0446","","","0.0964","0.1038","","","","","","0.971","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151741","7.9953","0.0017","12.083","0.003","13.275","0.003","65.855","0.003","88.718","0.004","84.251","0.004","1164.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","5S,6S)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5-(2-pyridyl)- 5,6-dihydrobenzo(d)furo(3,2-b)azepine-2,3-dicarboxylate","5S,6S)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5- (2-pyridyl)-5,6-dihydrobenzo[d]furo[3,2-b]azepine-2,3-dicarboxylate","","- C24 H23 Br N2 O6 -","- C24 H23 Br N2 O6 -","- C48 H46 Br2 N4 O12 -","2","1","","Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying","The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.","Organic & biomolecular chemistry","2011","9","7","2166","2174","10.1039/c0ob00746c","","","0.71073","MoKα","","0.0504","0.0352","","","0.0788","0.085","","","","","","1.018","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151742","5.4822","0.0004","8.8469","0.0006","24.9538","0.0017","90","","90","","90","","1210.27","0.15","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Nesbitt, Caroline L.; McErlean, Christopher S. P.","Total synthesis of C19 lipid diols containing a 2,5-disubstituted-3-oxygenated tetrahydrofuran.","Organic & biomolecular chemistry","2011","9","7","2198","2208","10.1039/c0ob00754d","","","0.71073","MoKα","","0.0334","0.0321","","","0.0895","0.0908","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151743","5.4962","0.001","14.702","0.003","14.657","0.003","90","","100.037","0.003","90","","1166.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 Br N O4 -","- C27 H22 Br N O4 -","- C54 H44 Br2 N2 O8 -","2","1","","Li, Wenjun; Wu, Wenbin; Yu, Feng; Huang, Huicai; Liang, Xinmiao; Ye, Jinxing","Catalytic asymmetric Michael addition with curcumin derivative.","Organic & biomolecular chemistry","2011","9","7","2505","2511","10.1039/c0ob00757a","","","0.71073","MoKα","","0.0803","0.059","","","0.1375","0.1467","","","","","","0.938","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151744","7.0225","0.0008","7.3868","0.0008","13.8536","0.0015","90","","100.912","0.002","90","","705.65","0.13","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cl O2 S -","- C4 H9 Cl O2 S -","- C16 H36 Cl4 O8 S4 -","4","1","","Yoo, Ellie Jung-Hwa; Feketeová, Linda; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J","Structure and unimolecular chemistry of protonated sulfur betaines, (CH3)2S(+)(CH2)(n)CO2H (n = 1 and 2).","Organic & biomolecular chemistry","2011","9","8","2751","2759","10.1039/c0ob00770f","","","0.71073","MoKα","","0.0288","0.0269","","","0.0753","0.0768","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151745","7.3627","0.0009","9.589","0.0009","11.7822","0.0019","69.895","0.012","73.702","0.012","79.988","0.009","746.99","0.18","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N3 O9 S -","- C11 H13 N3 O9 S -","- C22 H26 N6 O18 S2 -","2","1","","Yoo, Ellie Jung-Hwa; Feketeová, Linda; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J","Structure and unimolecular chemistry of protonated sulfur betaines, (CH3)2S(+)(CH2)(n)CO2H (n = 1 and 2).","Organic & biomolecular chemistry","2011","9","8","2751","2759","10.1039/c0ob00770f","","","1.54184","CuKα","","0.1143","0.0543","","","0.1045","0.12","","","","","","0.777","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151746","16.927","0.003","12.667","0.003","18.063","0.004","90","","90","","90","","3873","1.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H17 N2 O3 -","- C24 H17 N2 O3 -","- C192 H136 N16 O24 -","8","2","","Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi","Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization.","Organic & biomolecular chemistry","2011","9","8","2702","2714","10.1039/c0ob00783h","","","0.71073","MoKα","","0.1151","0.057","","","0.1081","0.1233","","","","","","0.977","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151747","12.294","0.004","4.9467","0.0014","20.381","0.006","90","","101.322","0.004","90","","1215.3","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi","Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization.","Organic & biomolecular chemistry","2011","9","8","2702","2714","10.1039/c0ob00783h","","","0.71073","MoKα","","0.0715","0.0453","","","0.0937","0.1044","","","","","","0.999","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151748","13.0912","0.0007","13.0912","0.0007","23.1759","0.0012","90","","90","","90","","3971.9","0.4","150","2","150","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C11 H5 F4 N O -","- C11 H5 F4 N O -","- C176 H80 F64 N16 O16 -","16","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0336","0.0305","","","0.0824","0.0849","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151749","7.0016","0.0012","10.9436","0.0019","17.466","0.003","92.675","0.003","99.643","0.003","90.003","0.003","1317.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H16 Br3 F2 N S3 -","- C26.5 H16 Br3 F2 N S3 -","- C53 H32 Br6 F4 N2 S6 -","2","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0837","0.0547","","","0.1496","0.1632","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151750","7.223","0.0008","7.9584","0.0009","9.1866","0.001","100.979","0.002","97.143","0.002","113.863","0.002","462.01","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H4 F3 N S -","- C11 H4 F3 N S -","- C22 H8 F6 N2 S2 -","2","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0401","0.0343","","","0.0848","0.0881","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151751","6.198","0.002","6.525","0.002","15.416","0.005","90","","97.211","0.004","90","","618.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 F2 O2 -","- C18 H8 F2 O2 -","- C36 H16 F4 O4 -","2","0.5","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.6942","synchrotron","","0.1365","0.0949","","","0.248","0.2902","","","","","","1.041","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151752","9.8845","0.0005","15.668","0.0008","10.3729","0.0005","90","","92.2845","0.0008","90","","1605.18","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br F3 S2 -","- C18 H8 Br F3 S2 -","- C72 H32 Br4 F12 S8 -","4","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.054","0.0378","","","0.0899","0.0976","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151753","15.1514","0.0009","12.9717","0.0008","8.1916","0.0005","90","","103.522","0.0009","90","","1565.34","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br F3 S2 -","- C18 H8 Br F3 S2 -","- C72 H32 Br4 F12 S8 -","4","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0522","0.0355","","","0.0922","0.1012","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151754","7.823","0.002","3.911","0.0012","21.623","0.007","90","","92.499","0.004","90","","660.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 F2 S2 -","- C18 H8 F2 S2 -","- C36 H16 F4 S4 -","2","0.5","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0761","0.0559","","","0.1285","0.1366","","","","","","1.079","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151755","5.6949","0.0016","9.6545","0.0013","13.611","0.002","73.2","0.03","83.98","0.04","80.88","0.04","706","0.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N2 O4 S -","- C14 H18 N2 O4 S -","- C28 H36 N4 O8 S2 -","2","1","","Kissane, Marie; Murphy, Maureen; O'Brien, Elisabeth; Chopra, Jay; Murphy, Linda; Collins, Stuart G.; Lawrence, Simon E.; Maguire, Anita R.","Addition-substitution reactions of 2-thio-3-chloroacrylamides with carbon, nitrogen, oxygen, sulfur and selenium nucleophiles.","Organic & biomolecular chemistry","2011","9","7","2452","2472","10.1039/c0ob00805b","","","0.71075","MoKα","","0.0786","0.0683","","","0.175","0.1817","","","","","","1.132","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151756","5.3188","0.0018","12.594","0.004","29.209","0.01","90","","90","","90","","1956.6","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O4 S -","- C20 H25 N O4 S -","- C80 H100 N4 O16 S4 -","4","1","","Kissane, Marie; Murphy, Maureen; O'Brien, Elisabeth; Chopra, Jay; Murphy, Linda; Collins, Stuart G.; Lawrence, Simon E.; Maguire, Anita R.","Addition-substitution reactions of 2-thio-3-chloroacrylamides with carbon, nitrogen, oxygen, sulfur and selenium nucleophiles.","Organic & biomolecular chemistry","2011","9","7","2452","2472","10.1039/c0ob00805b","","","0.71073","MoKα","","0.1722","0.0701","","","0.1259","0.1613","","","","","","0.992","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151757","8.37","0.003","11","0.004","12.192","0.003","90","","90","","90","","1122.5","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H14 N2 O2 Se -","- C9 H14 N2 O2 Se -","- C36 H56 N8 O8 Se4 -","4","1","","Hodage, Ananda S.; Phadnis, Prasad P.; Wadawale, Amey; Priyadarsini, K. I.; Jain, Vimal K.","Synthesis, characterization and structures of 2-(3,5-dimethylpyrazol-1-yl)ethylseleno derivatives and their probable glutathione peroxidase (GPx) like activity.","Organic & biomolecular chemistry","2011","9","8","2992","2998","10.1039/c0ob00807a","","","0.71069","MoKα","","0.1054","0.04","","","0.0965","0.1178","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151758","13.2","0.005","11.169","0.005","7.993","0.004","90","","92.12","0.04","90","","1177.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N2 O2 Se -","- C10 H16 N2 O2 Se -","- C40 H64 N8 O8 Se4 -","4","1","","Hodage, Ananda S.; Phadnis, Prasad P.; Wadawale, Amey; Priyadarsini, K. I.; Jain, Vimal K.","Synthesis, characterization and structures of 2-(3,5-dimethylpyrazol-1-yl)ethylseleno derivatives and their probable glutathione peroxidase (GPx) like activity.","Organic & biomolecular chemistry","2011","9","8","2992","2998","10.1039/c0ob00807a","","","0.71073","MoKα","","0.1006","0.0372","","","0.0775","0.0977","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151759","5.6366","0.0002","12.6433","0.0007","16.9777","0.0007","90","","90","","90","","1209.92","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Ramachary, Dhevalapally B.; Prasad, M. Shiva; Madhavachary, R.","A general approach to high-yielding asymmetric synthesis of chiral 3-alkyl-4-nitromethylchromans via cascade Barbas-Michael and acetalization reactions.","Organic & biomolecular chemistry","2011","9","8","2715","2721","10.1039/c0ob00861c","","","1.54184","CuKα","","0.094","0.092","","","0.2279","0.2354","","","","","","1.118","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151760","8.8274","0.0005","13.2339","0.0006","12.3855","0.0007","90","","103.267","0.006","90","","1408.27","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Blangetti, Marco; Deagostino, Annamaria; Gervasio, Giuliana; Marabello, Domenica; Prandi, Cristina; Venturello, Paolo","Superbase promoted synthesis of dienamides as useful intermediates for the synthesis of α-ketoamides, γ-lactams and cyclic imino ethers.","Organic & biomolecular chemistry","2011","9","7","2535","2538","10.1039/c0ob00867b","","","0.7107","MoKα","","0.105","0.0634","","","0.1687","0.1837","","","","","","1.054","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151761","14.0009","0.0006","8.4953","0.0003","26.87","0.0012","90","","97.115","0.004","90","","3171.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","2","","Blangetti, Marco; Deagostino, Annamaria; Gervasio, Giuliana; Marabello, Domenica; Prandi, Cristina; Venturello, Paolo","Superbase promoted synthesis of dienamides as useful intermediates for the synthesis of α-ketoamides, γ-lactams and cyclic imino ethers.","Organic & biomolecular chemistry","2011","9","7","2535","2538","10.1039/c0ob00867b","","","0.7107","MoKα","","0.2104","0.0427","","","0.0773","0.0848","","","","","","0.949","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151762","14.5941","0.0004","9.4049","0.0002","13.8121","0.0003","90","","91.949","0.002","90","","1894.7","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","","Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.","Total synthesis of the Amaryllidaceae alkaloid clivonine.","Organic & biomolecular chemistry","2011","9","8","2809","2820","10.1039/c0ob00895h","","","0.71073","MoKα","","0.0976","0.0448","","","0.102","0.1191","","","","","","0.936","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151763","7.2818","0.0001","33.8728","0.0003","8.3252","0.0001","90","","104.148","0.001","90","","1991.17","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O6 -","- C21 H29 N O6 -","- C84 H116 N4 O24 -","4","1","","Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.","Total synthesis of the Amaryllidaceae alkaloid clivonine.","Organic & biomolecular chemistry","2011","9","8","2809","2820","10.1039/c0ob00895h","","","1.54184","CuKα","","0.0458","0.0424","","","0.1224","0.1248","","","","","","1.088","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151764","10.695","0.001","10.695","0.001","25.134","0.004","90","","90","","120","","2489.7","0.5","298","2","298","2","","","","","","","","4","P 61","P 61","169","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C114 H138 N6 O24 -","6","1","","Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.","Total synthesis of the Amaryllidaceae alkaloid clivonine.","Organic & biomolecular chemistry","2011","9","8","2809","2820","10.1039/c0ob00895h","","","0.71073","MoKα","","0.1136","0.0446","","","0.0727","0.0846","","","","","","0.959","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151765","6.0988","0.0002","11.8551","0.0004","16.3205","0.0005","102.804","0.003","98.74","0.003","102.13","0.003","1100.31","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl N O5 -","- C25 H26 Cl N O5 -","- C50 H52 Cl2 N2 O10 -","2","1","","Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.","Total synthesis of the Amaryllidaceae alkaloid clivonine.","Organic & biomolecular chemistry","2011","9","8","2809","2820","10.1039/c0ob00895h","","","1.54248","CuKα","","0.0511","0.0368","","","0.1013","0.1087","","","","","","1.042","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151766","10.834","0.01","12.591","0.012","13.097","0.012","90","","105.513","0.012","90","","1721","3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 B F2 N2 O -","- C19 H19 B F2 N2 O -","- C76 H76 B4 F8 N8 O4 -","4","1","","Guo, Huimin; Jing, Yingying; Yuan, Xiaolin; Ji, Shaomin; Zhao, Jianzhang; Li, Xiaohuan; Kan, Yanyan","Highly selective fluorescent OFF-ON thiol probes based on dyads of BODIPY and potent intramolecular electron sink 2,4-dinitrobenzenesulfonyl subunits.","Organic & biomolecular chemistry","2011","9","10","3844","3853","10.1039/c0ob00910e","","","0.71073","MoKα","","0.1724","0.0683","","","0.158","0.2024","","","","","","0.916","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151767","16.6953","0.0006","17.6555","0.0007","17.3203","0.0006","90","","96.247","0.002","90","","5075.1","0.3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 B F2 N4 O7 S -","- C25 H21 B F2 N4 O7 S -","- C200 H168 B8 F16 N32 O56 S8 -","8","2","","Guo, Huimin; Jing, Yingying; Yuan, Xiaolin; Ji, Shaomin; Zhao, Jianzhang; Li, Xiaohuan; Kan, Yanyan","Highly selective fluorescent OFF-ON thiol probes based on dyads of BODIPY and potent intramolecular electron sink 2,4-dinitrobenzenesulfonyl subunits.","Organic & biomolecular chemistry","2011","9","10","3844","3853","10.1039/c0ob00910e","","","0.71073","MoKα","","0.0904","0.0567","","","0.1588","0.1737","","","","","","1.051","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151768","8.9837","0.0005","16.6227","0.001","17.0722","0.0009","95.666","0.004","95.646","0.004","94.209","0.004","2515.8","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 B F2 N4 O7 S -","- C25 H21 B F2 N4 O7 S -","- C100 H84 B4 F8 N16 O28 S4 -","4","2","","Guo, Huimin; Jing, Yingying; Yuan, Xiaolin; Ji, Shaomin; Zhao, Jianzhang; Li, Xiaohuan; Kan, Yanyan","Highly selective fluorescent OFF-ON thiol probes based on dyads of BODIPY and potent intramolecular electron sink 2,4-dinitrobenzenesulfonyl subunits.","Organic & biomolecular chemistry","2011","9","10","3844","3853","10.1039/c0ob00910e","","","0.71073","MoKα","","0.1097","0.0613","","","0.1637","0.1913","","","","","","1.007","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151769","13.9348","0.0003","12.1131","0.0002","23.212","0.0005","90","","92.073","0.001","90","","3915.47","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl O4 P -","- C42 H48 Cl O4 P -","- C168 H192 Cl4 O16 P4 -","4","1","","Chen, Ko-Wei; Syu, Siang-en; Jang, Yeong-Jiunn; Lin, Wenwei","A facile approach to highly functional trisubstituted furans via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2011","9","7","2098","2106","10.1039/c0ob00912a","","","0.71073","MoKα","","0.1092","0.0711","","","0.2109","0.2455","","","","","","1.1","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151770","7.7171","0.0003","12.5408","0.0005","17.2932","0.0007","90","","98.71","0.002","90","","1654.31","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br O -","- C22 H15 Br O -","- C88 H60 Br4 O4 -","4","1","","Chen, Ko-Wei; Syu, Siang-en; Jang, Yeong-Jiunn; Lin, Wenwei","A facile approach to highly functional trisubstituted furans via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2011","9","7","2098","2106","10.1039/c0ob00912a","","","0.71073","MoKα","","0.0462","0.0344","","","0.0743","0.0781","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151771","8.4569","0.0002","21.6536","0.0007","10.4183","0.0003","90","","111.158","0.002","90","","1779.21","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 Br N O -","- C23 H14 Br N O -","- C92 H56 Br4 N4 O4 -","4","1","","Chen, Ko-Wei; Syu, Siang-en; Jang, Yeong-Jiunn; Lin, Wenwei","A facile approach to highly functional trisubstituted furans via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2011","9","7","2098","2106","10.1039/c0ob00912a","","","0.71073","MoKα","","0.0402","0.0285","","","0.0627","0.0666","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151772","5.6695","0.0005","13.7791","0.0013","18.04","0.0017","90","","95.532","0.011","90","","1402.7","0.2","297","","297","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","2","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.1075","0.0469","","","0.1047","0.1228","","","","","","0.788","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151773","6.2097","0.0007","13.1829","0.0014","15.2549","0.0018","90","","90.202","0.014","90","","1248.8","0.2","297","","297","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","2","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.1263","0.0456","","","0.0793","0.0969","","","","","","0.781","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151774","6.7923","0.0007","11.6086","0.0014","20.037","0.003","90","","90","","90","","1579.9","0.3","297","","297","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.1093","0.0439","","","0.0788","0.0946","","","","","","0.785","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151775","6.9797","0.0007","11.9507","0.0009","17.3512","0.0012","90","","90","","90","","1447.3","0.2","297","","297","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.0515","0.0415","","","0.1041","0.1087","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151776","17.9518","0.0003","8.62335","0.00015","9.25071","0.00015","90","","96.1609","0.0015","90","","1423.78","0.04","123","","123","","","","","","","","see text","3","C 1 2 1","C 2y","5","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","x-ray","1.54184","CuKα","","0.0298","0.0293","","","0.0815","0.0819","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151777","38.963","0.016","9.07","0.004","25.863","0.011","90","","130.953","0.005","90","","6903","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H33 N5 O3 -","- C45 H33 N5 O3 -","- C360 H264 N40 O24 -","8","1","","Akhigbe, Joshua; Peters, Gretchen; Zeller, Matthias; Brückner, Christian","Unexpected hydroxylamine-induced ring-closure reactions of meso-tetraphenylsecochlorin bisaldehyde.","Organic & biomolecular chemistry","2011","9","7","2306","2313","10.1039/c0ob00920b","","","0.71073","MoKα","","0.1951","0.0855","","","0.2202","0.2784","","","","","","0.961","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151778","6.334","0.002","10.352","0.003","12.149","0.004","94.288","0.005","99.895","0.005","101.107","0.005","765.2","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H29 N5 -","- C43.006 H29.006 N4.994 -","- C43.006 H29.006 N4.994 -","1","0.5","","Akhigbe, Joshua; Peters, Gretchen; Zeller, Matthias; Brückner, Christian","Unexpected hydroxylamine-induced ring-closure reactions of meso-tetraphenylsecochlorin bisaldehyde.","Organic & biomolecular chemistry","2011","9","7","2306","2313","10.1039/c0ob00920b","","","0.71073","MoKα","","0.1223","0.0615","","","0.1457","0.1625","","","","","","1.092","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151779","9.2025","0.0003","11.0726","0.0003","14.1584","0.0004","83.548","0.002","72.05","0.002","67.759","0.003","1270.33","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl3 N5 O3 -","- C25 H26 Cl3 N5 O3 -","- C50 H52 Cl6 N10 O6 -","2","1","","Wu, Wei-Bin; Chen, Shu-Han; Hou, Jin-Qiang; Tan, Jia-Heng; Ou, Tian-Miao; Huang, Shi-Liang; Li, Ding; Gu, Lian-Quan; Huang, Zhi-Shu","Disubstituted 2-phenyl-benzopyranopyrimidine derivatives as a new type of highly selective ligands for telomeric G-quadruplex DNA.","Organic & biomolecular chemistry","2011","9","8","2975","2986","10.1039/c0ob00921k","","","1.5418","CuKα","","0.0335","0.0308","","","0.086","0.0894","","","","","","0.931","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151780","8.886","0.0009","8.1987","0.0008","13.9274","0.0013","90","","101.873","0.002","90","","992.95","0.17","223.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cl2 I K O6 -","- C12 H24 Cl2 I K O6 -","- C24 H48 Cl4 I2 K2 O12 -","2","0.5","","Mbatia, Hannah W.; Ulloa, Olbelina A.; Kennedy, Daniel P.; Incarvito, Christopher D.; Burdette, Shawn C.","Iodination of anilines and phenols with 18-crown-6 supported ICl2-.","Organic & biomolecular chemistry","2011","9","8","2987","2991","10.1039/c0ob00926a","","","0.71075","MoKα","","","0.0344","","","","0.06","","","","","","1.124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151781","7.8543","0.0006","9.3193","0.0007","10.5343","0.0006","95.589","0.004","110.786","0.002","95.62","0.004","710.15","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Br2 N4 O6 -","- C11.56 H15.15 Br0.8 N1.66 O2.52 -","- C23.12 H30.3 Br1.6 N3.32 O5.04 -","2","1","","Nour, Hany F.; Matei, Marius F.; Bassil, Bassem S.; Kortz, Ulrich; Kuhnert, Nikolai","Synthesis of tri-substituted biaryl based trianglimines: formation of C3-symmetrical and non-symmetrical regioisomers.","Organic & biomolecular chemistry","2011","9","9","3258","3271","10.1039/c0ob00944j","","","0.71073","MoKα","","0.0318","0.0274","","","0.0804","0.084","","","","","","1.003","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151782","9.102","0.002","18.341","0.005","32.012","0.008","90","","90","","90","","5344","2","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 N3 O4.5 -","- C31 H32 N3 O4.5 -","- C248 H256 N24 O36 -","8","2","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.2333","0.1037","","","0.2595","0.3356","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151783","10.613","0.004","10.186","0.003","23.142","0.012","90","","91.9","0.04","90","","2500.4","1.8","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C29 H27 N3 O4 -","- C29 H27 N3 O4 -","- C116 H108 N12 O16 -","4","2","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.0968","0.0653","","","0.1386","0.158","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151784","9.727","0.003","9.727","0.003","25.904","0.032","90","","90","","90","","2451","3","294","2","294","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C15 H14 N O2 -","- C15 H14 N O2 -","- C120 H112 N8 O16 -","8","1","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.1108","0.0542","","","0.1488","0.1717","","","","","","1.059","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151785","9.737","0.008","10.015","0.006","26.408","0.011","90","","90","","90","","2575","3","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C120 H120 N8 O16 -","4","1","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.0894","0.0639","","","0.1898","0.2124","","","","","","1.124","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151786","5.559","0.006","8.894","0.004","12.507","0.006","90","","92.64","0.06","90","","617.7","0.8","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C28 H32 N4 O4 -","2","1","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.1612","0.063","","","0.1355","0.1654","","","","","","0.869","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151787","6.9698","0.0002","9.4671","0.0003","17.75","0.0004","90","","94.399","0.002","90","","1167.76","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-hydroxynaphtho(1,8-de)(1,3,2)dithiazine 1,1,3,3-tetraoxide monohydrate","2-hydroxynaphtho[1,8-de][1,3,2]dithiazine 1,1,3,3-tetraoxide monohydrate","","- C10 H9 N O6 S2 -","- C10 H9 N O6 S2 -","- C40 H36 N4 O24 S8 -","4","1","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","0.71073","MoKα","","0.0645","0.0552","","","0.1506","0.1599","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151788","14.1894","0.0003","7.1236","0.0002","18.0588","0.0004","90","","112.627","0.001","90","","1684.88","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-hydroxynaphtho(1,8-de)(1,3,2)dithiazine 1,1,3,3-tetraoxide ethyl acetate","2-hydroxynaphtho[1,8-de][1,3,2]dithiazine 1,1,3,3-tetraoxide ethyl acetate","","- C14 H15 N O7 S2 -","- C14 H15 N O7 S2 -","- C56 H60 N4 O28 S8 -","4","1","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","1.54178","CuKα","","0.0515","0.0388","","","0.0992","0.1083","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151789","15.1983","0.0015","8.5889","0.0007","15.6813","0.0015","90","","95.42","0.01","90","","2037.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Z)-1,1,3,3-tetraoxidonaphtho(1,8-d,e)(1,3,2)dithiazin-2-yl N- (2-cyanopropan-2-yl)isobutyimidate","(Z)-1,1,3,3-tetraoxidonaphtho[1,8-d,e][1,3,2]dithiazin-2-yl N-(2-cyanopropan-2-yl)isobutyimidate","","- C18 H19 N3 O5 S2 -","- C18 H19 N3 O5 S2 -","- C72 H76 N12 O20 S8 -","4","1","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","0.71073","MoKα","","0.0732","0.0476","","","0.1021","0.1069","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151790","12.0422","0.0014","13.3971","0.0013","21.306","0.003","72.268","0.007","81.717","0.004","74.535","0.007","3148.1","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-butyl-2-hydroxynaphtho(1,8-de)(1,3,2)dithiazine 1,1,3,3- tetraoxide monohydrate","4-butyl-2-hydroxynaphtho[1,8-de][1,3,2]dithiazine 1,1,3,3-tetraoxide monohydrate","","- C14 H17 N O6 S2 -","- C14 H17 N O6 S2 -","- C112 H136 N8 O48 S16 -","8","4","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","0.71073","MoKα","","0.2695","0.1509","","","0.2496","0.3157","","","","","","1.094","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151791","7.2877","0.0003","8.168","0.0003","8.3571","0.0002","93.74","0.002","107.823","0.002","92.785","0.002","471.35","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","N-hydroxy-O-benzenedisulfonimide monohydrate","N-hydroxy-O-benzenedisulfonimide monohydrate","","- C6 H7 N O6 S2 -","- C6 H7 N O6 S2 -","- C12 H14 N2 O12 S4 -","2","1","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","0.71073","MoKα","","0.0465","0.0391","","","0.0871","0.0918","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151792","10.8646","0.0011","12.0601","0.0011","20.4915","0.0018","90","","94.238","0.002","90","","2677.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl3 F3 N2 O3 S -","- C25 H24 Cl3 F3 N2 O3 S -","- C100 H96 Cl12 F12 N8 O12 S4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","0.71073","MoKα","","0.0666","0.049","","","0.1024","0.1093","","","","","","1.061","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151793","17.6246","0.0014","12.9407","0.0011","20.1134","0.0017","90","","90","","90","","4587.4","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H23 F3 N2 O3 S -","- C24 H23 F3 N2 O3 S -","- C192 H184 F24 N16 O24 S8 -","8","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","0.71073","MoKα","","0.1136","0.0837","","","0.203","0.2232","","","","","","1.029","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151794","10.9025","0.0011","13.0141","0.0013","13.1294","0.0014","90","","96.094","0.002","90","","1852.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 F3 N2 O3 S -","- C17 H23 F3 N2 O3 S -","- C68 H92 F12 N8 O12 S4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","0.71073","MoKα","","0.0592","0.0464","","","0.1106","0.1176","","","","","","1.028","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151795","13.531","0.002","17.185","0.002","19.511","0.002","108.267","0.013","106.724","0.013","101.091","0.014","3921.8","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H79 Cl8 F9 N6 O9 S3 -","- C75 H79 Cl8 F9 N6 O9 S3 -","- C150 H158 Cl16 F18 N12 O18 S6 -","2","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","1.54184","CuKα","","0.0942","0.0613","","","0.1666","0.1843","","","","","","0.987","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151796","11.8166","0.0017","16.328","0.002","13.928","0.002","90","","102.356","0.003","90","","2625","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl3 F3 N2 O3 S -","- C24 H28 Cl3 F3 N2 O3 S -","- C96 H112 Cl12 F12 N8 O12 S4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","0.71073","MoKα","","0.1243","0.0959","","","0.1528","0.1627","","","","","","1.242","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151797","8.6993","0.0017","10.744","0.002","11.593","0.002","75.65","0.03","74.28","0.03","86.28","0.03","1010.5","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cl2 N4 O2 Zn -","- C21 H18 Cl2 N4 O2 Zn -","- C42 H36 Cl4 N8 O4 Zn2 -","2","1","","Chen, Maliang; Lv, Xin; Liu, Yunlong; Zhao, Yun; Liu, Jing; Wang, Pi; Guo, Wei","An 2-(2'-aminophenyl)benzoxazole-based OFF-ON fluorescent chemosensor for Zn2+ in aqueous solution.","Organic & biomolecular chemistry","2011","9","7","2345","2349","10.1039/c0ob00983k","","","0.71073","MoKα","","0.038","0.0319","","","0.0946","0.1052","","","","","","1.022","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151798","18.7761","0.0016","18.7761","0.0016","43.329","0.004","90","","90","","120","","13229","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H19 N O -","- C9 H19 N O -","- C486 H1026 N54 O54 -","54","3","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0781","0.042","","","0.0861","0.0993","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151799","10.989","0.002","15.262","0.003","16.648","0.004","90","","94.25","0.003","90","","2784.4","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 N3 O -","- C30 H43 N3 O -","- C120 H172 N12 O4 -","4","1","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0695","0.0475","","","0.114","0.1271","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151800","11.903","0.0013","12.1631","0.0013","18.1","0.002","90","","93.642","0.001","90","","2615.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N O2 P -","- C29 H34 N O2 P -","- C116 H136 N4 O8 P4 -","4","1","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0591","0.0419","","","0.1017","0.1133","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151801","10.2181","0.0007","19.3153","0.0014","19.5555","0.0014","90","","90","","90","","3859.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H62 N2 O -","- C42 H62 N2 O -","- C168 H248 N8 O4 -","4","1","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0675","0.0438","","","0.0945","0.1026","","","","","","0.956","","","","has coordinates,has disorder","180304","2020-10-21","18:00:00",""
"7151802","12.6312","0.0012","12.1657","0.0012","12.2949","0.0012","90","","109.24","0.002","90","","1783.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 N O2 -","- C25 H15 N O2 -","- C100 H60 N4 O8 -","4","1","","Liu, Yang; Huang, Liping; Xie, Fuchun; Chen, Xuxing; Hu, Youhong","Synthesis of novel functional polycyclic chromones through Michael addition and double cyclizations.","Organic & biomolecular chemistry","2011","9","8","2680","2684","10.1039/c0ob01000f","","","0.71073","MoKα","","0.0604","0.0502","","","0.1374","0.1443","","","","","","1.048","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151803","12.568","0.002","15.248","0.002","9.6494","0.0015","90","","98.182","0.003","90","","1830.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Liu, Yang; Huang, Liping; Xie, Fuchun; Chen, Xuxing; Hu, Youhong","Synthesis of novel functional polycyclic chromones through Michael addition and double cyclizations.","Organic & biomolecular chemistry","2011","9","8","2680","2684","10.1039/c0ob01000f","","","0.71073","MoKα","","0.1162","0.0568","","","0.1309","0.1479","","","","","","0.84","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151804","29.6523","0.001","17.5907","0.001","17.344","0.0007","90","","108.649","0.003","90","","8571.7","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cl2 N4 S -","- C14 H10 Cl2 N4 S -","- C336 H240 Cl48 N96 S24 -","24","3","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.1132","0.0345","","","0.1011","0.1412","","","","","","0.947","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151805","10.7905","0.0004","7.483","0.0003","11.7242","0.0004","90","","108.708","0.002","90","","896.66","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cl N5 -","- C7 H6 Cl N5 -","- C28 H24 Cl4 N20 -","4","1","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.0726","0.0547","","","0.1932","0.2112","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151806","7.3229","0.0002","9.8303","0.0003","10.161","0.0003","81.772","0.002","70.996","0.002","76.86","0.002","671.58","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 Cl2 N5 -","- C13 H9 Cl2 N5 -","- C26 H18 Cl4 N10 -","2","1","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.0472","0.0406","","","0.1172","0.1242","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151807","10.836","0.0004","16.3772","0.0006","7.6105","0.0003","90","","107.28","0.002","90","","1289.63","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N5 O -","- C14 H13 N5 O -","- C56 H52 N20 O4 -","4","1","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.0672","0.0442","","","0.1203","0.1327","","","","","","0.953","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151808","29.6523","0.001","5.863","0.0003","17.344","0.0007","90","","108.649","0.003","90","","2857","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cl2 N4 S -","- C14 H10 Cl2 N4 S -","- C112 H80 Cl16 N32 S8 -","8","1","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.04","0.0319","","","0.0735","0.0778","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151809","5.1057","0.0005","10.2051","0.0012","40.956","0.004","90","","90","","90","","2134","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl-2-(2-(tert-butoxycarbonylamino)-3-methylbutanamido)-3-phenylpropanoate","","","- C20 H30 N2 O5 -","- C20 H30 N2 O5 -","- C80 H120 N8 O20 -","4","1","","Maity, Sibaprasad; Kumar, Pankaj; Haldar, Debasish","An amyloid-like fibril-forming supramolecular cross-β-structure of a model peptide: a crystallographic insight.","Organic & biomolecular chemistry","2011","9","10","3787","3791","10.1039/c0ob01033b","","","0.71073","MoKα","","0.0694","0.0453","","","0.1091","0.1315","","","","","","0.938","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151810","13.0021","0.0013","7.2565","0.0007","14.3625","0.0015","90","","111.335","0.001","90","","1262.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(E)-(2-chloro-3,4-dimethylpenta-1,3-dienyl)benzene","(E)-(2-chloro-3,4-dimethylpenta-1,3-dienyl)benzene","","- C13 H14 Cl N O2 -","- C12.5 H14 Cl N O2 -","- C50 H56 Cl4 N4 O8 -","4","1","","Gallego, Gary; Ariafard, Alireza; Tran, Kiet; Sandoval, David; Choi, Leera; Chen, Yi-Hsun; Yates, Brian F.; Tao, Fu-Ming; Hyland, Christopher J. T.","Titanium-mediated rearrangement of cyclopropenylmethyl acetates to (E)-halodienes.","Organic & biomolecular chemistry","2011","9","9","3359","3363","10.1039/c0ob01046d","","","0.71073","MoKα","","0.0866","0.0758","","","0.223","0.2348","","","","","","1.083","","","","has coordinates,has disorder","180304","2020-10-21","18:00:00",""
"7151811","5.4217","0.0002","20.2401","0.0009","40.725","0.0017","90","","91.593","0.001","90","","4467.3","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-((R)-2-chloro-2-phenylethyl)-5-(2-hydroxy-1-methoxyethyl)-N- -(4-methoxyphenethyl)-1H-pyrazolo[3,4-b]pyridin-4-amine","","- C25 H25 Cl N4 O3 -","- C25 H25 Cl N4 O3 -","- C200 H200 Cl8 N32 O24 -","8","4","","Tuccinardi, Tiziano; Zizzari, Alessandra Tania; Brullo, Chiara; Daniele, Simona; Musumeci, Francesca; Schenone, Silvia; Trincavelli, Maria Letizia; Martini, Claudia; Martinelli, Adriano; Giorgi, Gianluca; Botta, Maurizio","Substituted pyrazolo[3,4-b]pyridines as human A1 adenosine antagonists: Developments in understanding the receptor stereoselectivity","Organic & Biomolecular Chemistry","2011","9","12","4448","","10.1039/c0ob01064b","","","0.71073","MoKα","","0.2048","0.1084","","","0.1798","0.2254","","","","","","1.078","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151812","10.4285","0.0015","12.4428","0.0015","14.7188","0.0015","86.41","0.003","72.131","0.002","86.886","0.003","1813","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H49 N O3 Si -","- C42 H49 N O3 Si -","- C84 H98 N2 O6 Si2 -","2","1","","Findley, Thomas J. K.; Sucunza, David; Miller, Laura C.; Helm, Matthew D.; Helliwell, Madeleine; Davies, David T.; Procter, David J.","A stereoselective, Sm(II)-mediated approach to decorated cis-hydrindanes: synthetic studies on faurinone and pleuromutilin.","Organic & biomolecular chemistry","2011","9","7","2433","2451","10.1039/c0ob01086c","","","0.71073","MoKα","","0.2302","0.0756","","","0.1387","0.1795","","","","","","0.775","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151813","11.96","0.002","16.344","0.003","7.655","0.002","90","","109.03","0.03","90","","1414.6","0.6","198","2","198","2","","","","","","","synthesis","4","C 1 c 1","C -2yc","9","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Gruner, Konstanze K.; Hopfmann, Thomas; Matsumoto, Kazuhiro; Jäger, Anne; Katsuki, Tsutomu; Knölker, Hans-Joachim","Efficient iron-mediated approach to pyrano[3,2-a]carbazole alkaloids‒first total syntheses of O-methylmurrayamine A and 7-methoxymurrayacine, first asymmetric synthesis and assignment of the absolute configuration of (-)-trans-dihydroxygirinimbine.","Organic & biomolecular chemistry","2011","9","7","2057","2061","10.1039/c0ob01088j","","x-ray","0.71073","MoKα","","0.0593","0.0375","","","0.0747","0.0811","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151814","11.5224","0.0012","11.6757","0.0014","12.5624","0.0015","90","","90","","90","","1690","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H25 I O2 Si -","- C13 H25 I O2 Si -","- C52 H100 I4 O8 Si4 -","4","1","","Qi, Xian-Liang; Zhang, Jun-Tao; Feng, Jian-Peng; Cao, Xiao-Ping","Total synthesis and absolute configuration of malyngamide W.","Organic & biomolecular chemistry","2011","9","10","3817","3824","10.1039/c0ob01118e","","","0.71073","MoKα","","0.0368","0.0295","","","0.0669","0.0702","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151815","6.7967","0.0002","12.1325","0.0003","12.4682","0.0003","69.546","0.001","81.774","0.001","85.665","0.001","953.04","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Methyl 6-(3-nitrophenyl)-1,2,6,7-tetrahydroindolo(1,7-ab)(1,5)benzodiazepine-9-carboxylate","Methyl 6-(3-nitrophenyl)-1,2,6,7-tetrahydroindolo[1,7-ab][1,5]benzodiazepine-9-carboxylate","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C46 H38 N6 O8 -","2","1","","Lin, Po-Tsung; Salunke, Deepak B.; Chen, Li-Hsun; Sun, Chung-Ming","Soluble polymer supported divergent synthesis of tetracyclic benzene-fused pyrazino/diazepino indoles: an advanced synthetic approach to bioactive scaffolds.","Organic & biomolecular chemistry","2011","9","8","2925","2937","10.1039/c0ob01126f","","","0.71073","MoKα","","0.0547","0.044","","","0.1376","0.1587","","","","","","1.055","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151816","10.1275","0.0004","19.1023","0.0007","8.0831","0.0003","90","","106.182","0.001","90","","1501.79","0.1","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Methyl 6,6-dimethyl-5,6-dihydroindolo(1,2-a)quinoxaline-3-carboxylate","Methyl 6,6-dimethyl-5,6-dihydroindolo[1,2-a]quinoxaline-3-carboxylate","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","2","","Lin, Po-Tsung; Salunke, Deepak B.; Chen, Li-Hsun; Sun, Chung-Ming","Soluble polymer supported divergent synthesis of tetracyclic benzene-fused pyrazino/diazepino indoles: an advanced synthetic approach to bioactive scaffolds.","Organic & biomolecular chemistry","2011","9","8","2925","2937","10.1039/c0ob01126f","","","0.71073","MoKα","","0.0344","0.0318","","","0.0912","0.1044","","","","","","1.15","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151817","6.6572","0.0009","9.8399","0.0008","12.3209","0.0015","102.795","0.008","99.112","0.011","105.356","0.009","738.47","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","","Bradley, Stephen A.; Bresnan, Brian J.; Draper, Sylvia M.; Geraghty, Niall W. A.; Jeffares, Mark; McCabe, Thomas; McMurry, T Brian H; O'Brien, John E","Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the ""rule of five"".","Organic & biomolecular chemistry","2011","9","8","2959","2968","10.1039/c0ob01131b","","","0.71073","MoKα","","0.1289","0.0513","","","0.1022","0.1254","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151818","6.6266","0.0007","10.1023","0.001","12.3043","0.0011","90.769","0.008","96.613","0.01","103.792","0.008","793.91","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Bradley, Stephen A.; Bresnan, Brian J.; Draper, Sylvia M.; Geraghty, Niall W. A.; Jeffares, Mark; McCabe, Thomas; McMurry, T Brian H; O'Brien, John E","Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the ""rule of five"".","Organic & biomolecular chemistry","2011","9","8","2959","2968","10.1039/c0ob01131b","","","0.71073","MoKα","","0.0523","0.0373","","","0.0919","0.1003","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151819","6.121","0.006","10.219","0.003","12.1028","0.0018","80.995","0.017","83.01","0.03","82.18","0.05","736.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Bradley, Stephen A.; Bresnan, Brian J.; Draper, Sylvia M.; Geraghty, Niall W. A.; Jeffares, Mark; McCabe, Thomas; McMurry, T Brian H; O'Brien, John E","Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the ""rule of five"".","Organic & biomolecular chemistry","2011","9","8","2959","2968","10.1039/c0ob01131b","","","0.71073","MoKα","","0.1294","0.0527","","","0.1029","0.1273","","","","","","1.033","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151820","17.683","0.004","10.819","0.002","10.206","0.002","90","","114.81","0.03","90","","1772.3","0.8","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun","Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.","Organic & biomolecular chemistry","2011","9","8","2868","2877","10.1039/c0ob01143f","","","0.71073","MoKα","","0.0905","0.0698","","","0.1715","0.1823","","","","","","1.017","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151821","14.3688","0.0008","7.7163","0.0004","18.1469","0.0011","90","","111.567","0.002","90","","1871.15","0.18","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C84 H88 O16 -","4","1","","Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun","Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.","Organic & biomolecular chemistry","2011","9","8","2868","2877","10.1039/c0ob01143f","","","0.71073","MoKα","","0.1399","0.0521","","","0.1209","0.1338","","","","","","0.673","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151822","6.0368","0.0012","13.398","0.003","29.789","0.006","90","","90","","90","","2409.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C112 H116 N4 O12 -","4","1","","Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun","Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.","Organic & biomolecular chemistry","2011","9","8","2868","2877","10.1039/c0ob01143f","","","0.71073","MoKα","","0.0698","0.0436","","","0.1095","0.1307","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151823","10.4109","0.0005","11.0028","0.0004","11.3302","0.0005","106.305","0.002","94.754","0.002","103.828","0.002","1193.8","0.09","302","","302","","","","","","","","","4","P 1","P 1","1","","Cbz-(Leu-Leu-Aib)2-OMe","","- C41 H68 N6 O9 -","- C41 H68 N6 O9 -","- C41 H68 N6 O9 -","1","1","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.0534","0.0434","","","0.087","0.0905","","","","","","1.576","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151824","11.5605","0.0012","45.42","0.005","15.286","0.0016","90","","95.515","0.002","90","","7989.2","1.5","100","2","100","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","Boc-(Leu-Leu-RR)3-OMe","Boc-(Leu-Leu-RR)3-OMe","","- C133 H248 N18 O42 -","- C133 H248 N18 O42 -","- C266 H496 N36 O84 -","2","1","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.097","0.0859","","","0.237","0.2503","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151825","12.9034","0.0012","14.8243","0.0013","16.6694","0.0015","104.879","0.001","93.483","0.002","112.918","0.001","2791.8","0.4","200","2","200","2","","","","","","","synthesis","4","P 1","P 1","1","","Cbz-[Leu-Leu-(S,S)-Ac5cdOM]2-OMe","","- C49.5 H83 N6 O14 -","- C49.5 H83 N6 O14 -","- C99 H166 N12 O28 -","2","2","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.0574","0.0522","","","0.1427","0.1493","","","","","","1.01","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151826","15.4487","0.0014","44.175","0.004","21.6774","0.0019","90","","96.234","0.002","90","","14706","2","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","Boc-(Leu-Leu-Acp)3-OMe","","- C60.5 H109.5 N9 O13.75 -","- C60.5 H109.5 N9 O13.75 -","- C484 H876 N72 O110 -","8","4","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.1191","0.0962","","","0.2635","0.2857","","","","","","1.096","","","","has coordinates,has disorder","180304","2020-10-21","18:00:00",""
"7151827","11.2484","0.0009","8.5765","0.0005","12.9938","0.0009","90","","105.921","0.003","90","","1205.45","0.15","120.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean","Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.","Organic & biomolecular chemistry","2011","9","9","3447","3456","10.1039/c0ob01152e","","","0.7107","MoKα","","","0.0364","","","","0.0452","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151828","8.5532","0.0017","18.428","0.005","8.108","0.0017","93.05","0.02","118.249","0.014","94.88","0.02","1115.3","0.5","296.1","","296.1","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","2","","Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean","Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.","Organic & biomolecular chemistry","2011","9","9","3447","3456","10.1039/c0ob01152e","","","0.71069","MoKα","","","0.0448","","","","0.0563","","","","","","1.127","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151829","8.3858","0.0002","8.9432","0.0004","16.6524","0.0014","82.616","0.011","76.245","0.009","83.941","0.014","1199.33","0.13","120.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","2","","Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean","Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.","Organic & biomolecular chemistry","2011","9","9","3447","3456","10.1039/c0ob01152e","","","0.7107","MoKα","","","0.0442","","","","0.0555","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151830","5.805","0.004","10.234","0.006","13.495","0.008","69.524","0.007","88.465","0.014","89.34","0.013","750.8","0.8","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C34 H34 N2 O4 S2 -","2","1","","Rao, R. Mohan; Reddy, Upendar C. H.; Alinakhi,; Mulakayala, Naveen; Alvala, Mallika; Arunasree, M. K.; Poondra, Rajamohan R.; Iqbal, Javed; Pal, Manojit","Sequential coupling/desilylation-coupling/cyclization in a single pot under Pd/C-Cu catalysis: synthesis of 2-(hetero)aryl indoles.","Organic & biomolecular chemistry","2011","9","10","3808","3816","10.1039/c0ob01161d","","","0.7107","MoKα","","","0.0574","","","","0.0603","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151831","6.0736","0.0003","11.6934","0.0005","17.749","0.0009","74.4693","0.0012","86.7204","0.0013","73.3481","0.0013","1163.33","0.1","103.1","","103.1","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H17 Cl2 N Se2 -","- C27 H17 Cl2 N Se2 -","- C54 H34 Cl4 N2 Se4 -","2","1","","Mitamura, Takenori; Iwata, Kimiyo; Nomoto, Akihiro; Ogawa, Akiya","Photochemical intramolecular cyclization of o-alkynylaryl isocyanides with organic dichalcogenides leading to 2,4-bischalcogenated quinolines.","Organic & biomolecular chemistry","2011","9","10","3768","3775","10.1039/c0ob01168a","","","0.71075","MoKα","","","0.0582","","","","0.1941","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151832","6.3831","0.0014","7.837","0.003","15.41","0.003","90","","90.91","0.03","90","","770.8","0.4","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N4 O7 -","- C14 H14 N4 O7 -","- C28 H28 N8 O14 -","2","1","","Goeschen, Catrin; Wibowo, Natalia; White, Jonathan M.; Wille, Uta","Damage of aromatic amino acids by the atmospheric free radical oxidant NO3˙ in the presence of NO2˙, N2O4, O3 and O2.","Organic & biomolecular chemistry","2011","9","9","3380","3385","10.1039/c0ob01186j","","","1.54184","CuKα","","0.2038","0.057","","","0.062","0.0838","","","","","","0.615","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151833","9.5128","0.0008","7.9036","0.0007","12.3434","0.001","90","","109.552","0.001","90","","874.53","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C42 H52 O6 -","2","1","","Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao","Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide.","Organic & biomolecular chemistry","2011","9","9","3176","3179","10.1039/c0ob01239d","","","0.71073","MoKα","","0.0493","0.0472","","","0.1288","0.1314","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151834","9.3443","0.0007","11.4954","0.0008","16.1665","0.0011","90","","90","","90","","1736.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao","Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide.","Organic & biomolecular chemistry","2011","9","9","3176","3179","10.1039/c0ob01239d","","","0.71073","MoKα","","0.041","0.039","","","0.1035","0.1055","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151835","6.1705","0.0007","7.7879","0.0008","18.703","0.003","90","","94.971","0.007","90","","895.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12.67 H12 N O2 S -","- C12 H12 N1.33333 O2.66667 S1.33333 -","- C36 H36 N4 O8 S4 -","3","0.75","","Dhara, Kalyan; Paladhi, Sushovan; Midya, Ganesh Chandra; Dash, Jyotirmayee","Synthesis of spirocyclic thiazolidinediones using ring-closing metathesis and one-pot sequential ring-closing/cross metathesis.","Organic & biomolecular chemistry","2011","9","10","3801","3807","10.1039/c0ob01248c","","","0.71073","MoKα","","0.0565","0.039","","","0.103","0.1138","","","","","","1.044","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151836","13.741","0.004","6.0599","0.0016","17.805","0.005","90","","109.656","0.003","90","","1396.2","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Hu, Jie; Liu, Lei; Yang, Shangdong; Liang, Yong-Min","Phase-transfer-catalyzed cyclization reaction of nucleophilic addition to electron-deficient 1,3-conjugated enynes for the synthesis of functionalized 4H-pyrans.","Organic & biomolecular chemistry","2011","9","9","3375","3379","10.1039/c0ob01255f","","","0.71073","MoKα","","0.1041","0.0563","","","0.1282","0.1552","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151837","9.0854","0.0018","13.43","0.003","13.56","0.003","96.34","0.03","107.73","0.03","102.33","0.03","1512","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 O P -","- C36 H32 O P -","- C72 H64 O2 P2 -","2","1","","Cinar, Mehmet Emin; Vavilala, Chandrasekhar; Fan, Jian; Schmittel, Michael","The thermal C2-C6/[2 + 2] cyclisation of enyne-allenes: reversible diradical formation.","Organic & biomolecular chemistry","2011","9","10","3776","3779","10.1039/c0ob01275k","","","0.71073","MoKα","","0.175","0.0501","","","0.1118","0.1455","","","","","","0.723","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151838","10.5465","0.0015","13.646","0.002","14.694","0.002","90","","90","","90","","2114.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O3 -","- C23 H22 Br N O3 -","- C92 H88 Br4 N4 O12 -","4","1","","Yang, Yuan-Liang; Pei, Cheng-Kui; Shi, Min","Multifunctional chiral phosphines-catalyzed highly diastereoselective and enantioselective substitution of Morita-Baylis-Hillman adducts with oxazolones.","Organic & biomolecular chemistry","2011","9","9","3349","3358","10.1039/c1ob00017a","","","0.71073","MoKα","","0.0961","0.0406","","","0.0835","0.0952","","","","","","0.903","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151839","27.513","0.003","12.2721","0.0011","12.3143","0.0011","90","","90","","90","","4157.8","0.7","297","2","297","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H18 N4 O2 -","- C26 H18 N4 O2 -","- C156 H108 N24 O12 -","6","1.5","","Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu","Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.","Organic & biomolecular chemistry","2011","9","8","2618","2621","10.1039/c1ob00026h","","x-ray","0.71073","MoKα","","0.1438","0.0844","","","0.2112","0.2554","","","","","","1.125","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151840","9.261","0.0003","16.4271","0.0005","19.8316","0.0004","90","","90","","90","","3017.01","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N5 O5 -","- C33 H33 N5 O5 -","- C132 H132 N20 O20 -","4","1","","Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu","Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.","Organic & biomolecular chemistry","2011","9","8","2618","2621","10.1039/c1ob00026h","","x-ray","0.71073","MoKα","","0.0694","0.0624","","","0.1703","0.1774","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151841","11.95","0.002","11.95","0.002","21.08","0.006","90","","90","","90","","3010.3","1.1","297","2","297","2","","","","","","","","4","P 43","P 4cw","78","","","","- C26 H18 N4 O2 -","- C26 H18 N4 O2 -","- C104 H72 N16 O8 -","4","1","","Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu","Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.","Organic & biomolecular chemistry","2011","9","8","2618","2621","10.1039/c1ob00026h","","x-ray","0.71073","MoKα","","0.0838","0.077","","","0.2107","0.2197","","","","","","1.101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151842","5.8677","0.0008","12.9406","0.0018","14.433","0.002","90","","94.076","0.002","90","","1093.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 F2 N O2 -","- C12 H11 F2 N O2 -","- C48 H44 F8 N4 O8 -","4","1","","Chen, Zixian; Zhu, Jiangtao; Xie, Haibo; Li, Shan; Wu, Yongming; Gong, Yuefa","A cascade process for the synthesis of gem-difluoromethylene compounds.","Organic & biomolecular chemistry","2011","9","10","3878","3885","10.1039/c1ob00027f","","","0.71073","MoKα","","0.0668","0.05","","","0.1327","0.1407","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151843","4.7575","0.0002","9.8672","0.0004","16.6178","0.0006","90","","92.21","0.002","90","","779.51","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 Br O -","- C17 H21 Br O -","- C34 H42 Br2 O2 -","2","1","","Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K.","An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction.","Organic & biomolecular chemistry","2011","9","9","3428","3438","10.1039/c1ob00033k","","","0.71073","MoKα","","0.0605","0.0525","","","0.1308","0.1449","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151844","9.8247","0.0005","11.1954","0.0006","16.1562","0.0009","101.883","0.003","95.733","0.003","91.65","0.003","1728.04","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 O4 S -","- C19 H20 O4 S -","- C76 H80 O16 S4 -","4","2","","Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K.","An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction.","Organic & biomolecular chemistry","2011","9","9","3428","3438","10.1039/c1ob00033k","","","0.71073","MoKα","","0.0798","0.0514","","","0.1409","0.1578","","","","","","1.007","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151845","11.6207","0.0012","19.274","0.002","16.3163","0.0015","90","","100.451","0.007","90","","3593.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C152 H160 N16 O32 -","8","2","","Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K.","An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction.","Organic & biomolecular chemistry","2011","9","9","3428","3438","10.1039/c1ob00033k","","","0.71073","MoKα","","0.0988","0.0522","","","0.118","0.1411","","","","","","1.003","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151846","4.093","0.0008","5.6694","0.0011","28.901","0.006","90","","91.42","0.03","90","","670.4","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Br2 F2 O2 -","- C14 H8 Br2 F2 O2 -","- C28 H16 Br4 F4 O4 -","2","0.5","","Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.","Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers","Organic & Biomolecular Chemistry","2011","9","13","4842","","10.1039/c1ob05041a","","","0.71073","MoKα","","0.0356","0.0315","","","0.0663","0.0688","","","","","","1.118","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151847","12.711","0.003","4.8861","0.001","11.507","0.002","90","","96.33","0.03","90","","710.3","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br2 F3 O2 -","- C14 H9 Br2 F3 O2 -","- C28 H18 Br4 F6 O4 -","2","0.5","","Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.","Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers","Organic & Biomolecular Chemistry","2011","9","13","4842","","10.1039/c1ob05041a","","","0.71073","MoKα","","0.0346","0.0325","","","0.0833","0.0851","","","","","","1.148","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151848","10.434","0.002","7.7903","0.0016","17.852","0.004","90","","90","","90","","1451.1","0.5","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 F2 O4 -","- C16 H14 F2 O4 -","- C64 H56 F8 O16 -","4","0.5","","Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.","Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers","Organic & Biomolecular Chemistry","2011","9","13","4842","","10.1039/c1ob05041a","","","0.71073","MoKα","","0.1011","0.0875","","","0.2396","0.2567","","","","","","1.086","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151849","12.696","0.002","12.411","0.002","20.491","0.004","90","","103.912","0.009","90","","3134.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N10 O7 S -","- C30 H32 N10 O7 S -","- C120 H128 N40 O28 S4 -","4","1","","Pramanik, Avijit; Thompson, Bethtrice; Hayes, Trina; Tucker, Kimberly; Powell, Douglas R.; Bonnesen, Peter V.; Ellis, Erick D.; Lee, Ken S.; Yu, Hongtao; Hossain, Md. Alamgir","Seven-coordinate anion complex with a tren-based urea: Binding discrepancy of hydrogen sulfate in solid and solution states","Organic & Biomolecular Chemistry","2011","9","12","4444","","10.1039/c1ob05052d","","","0.71073","MoKα","","0.1064","0.0587","","","0.1188","0.1367","","","","","","1.003","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151850","8.7312","0.0011","12.84","0.0017","13.682","0.0018","91.989","0.003","107.888","0.002","100.753","0.002","1427.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N10 O3 -","- C30 H30 N10 O3 -","- C60 H60 N20 O6 -","2","1","","Pramanik, Avijit; Thompson, Bethtrice; Hayes, Trina; Tucker, Kimberly; Powell, Douglas R.; Bonnesen, Peter V.; Ellis, Erick D.; Lee, Ken S.; Yu, Hongtao; Hossain, Md. Alamgir","Seven-coordinate anion complex with a tren-based urea: Binding discrepancy of hydrogen sulfate in solid and solution states","Organic & Biomolecular Chemistry","2011","9","12","4444","","10.1039/c1ob05052d","","","0.71073","MoKα","","0.0699","0.0495","","","0.1166","0.1273","","","","","","1.003","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151851","8.8268","0.0018","8.9764","0.0018","16.501","0.003","99.27","0.03","96.72","0.03","118.09","0.03","1110.1","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H13 N3 -","- C12 H13 N3 -","- C48 H52 N12 -","4","2","","Zheng, Zisheng; Tang, Lina; Fan, Yanfeng; Qi, Xiuxiang; Du, Yunfei; Zhang-Negrerie, Daisy","Oxidative aromatic C-N bond formation: convenient synthesis of N-amino-3-nitrile-indoles via FeBr3-mediated intramolecular cyclization.","Organic & biomolecular chemistry","2011","9","10","3714","3725","10.1039/c1ob05069a","","","0.71073","MoKα","","0.1123","0.0535","","","0.1461","0.21","","","","","","1.069","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151852","12.9167","0.0017","9.8437","0.0013","13.3798","0.0017","90","","107.208","0.002","90","","1625.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Han, Xingchun; Jiang, Liqing; Tang, Min; Hu, Wenhao","Diastereoselective three-component reactions of aryldiazoacetates with alcohols/water and alkynals: application to substituted enelactones.","Organic & biomolecular chemistry","2011","9","10","3839","3843","10.1039/c1ob05076a","","","0.71073","MoKα","","0.0668","0.0443","","","0.0955","0.1038","","","","","","0.93","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151853","10.4347","0.0008","15.9131","0.0012","14.1048","0.001","90","","109.487","0.001","90","","2207.9","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C96 H96 O32 -","8","1","","Han, Xingchun; Jiang, Liqing; Tang, Min; Hu, Wenhao","Diastereoselective three-component reactions of aryldiazoacetates with alcohols/water and alkynals: application to substituted enelactones.","Organic & biomolecular chemistry","2011","9","10","3839","3843","10.1039/c1ob05076a","","","0.71073","MoKα","","0.0483","0.0448","","","0.1267","0.1299","","","","","","1.057","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151854","11.5596","0.0006","9.9041","0.0005","13.9757","0.0007","90","","91.254","0.004","90","","1599.66","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl N -","- C21 H16 Cl N -","- C84 H64 Cl4 N4 -","4","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","0.71073","MoKα","","0.0458","0.0383","","","0.0922","0.0957","","","","","","1.054","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151855","10.071","0.0002","25.9843","0.0005","17.0032","0.0003","90","","104.46","0.01","90","","4308.6","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl (1RS,2RS,3RS,13bRS)-3-phenyl-2,3,9,13b-tetrahydro-1H -dibenzo[c,f]pyrrolo[1,2-a]azepine-1,2-dicarboxylate","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C216 H200 N8 O32 -","8","2","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","0.71073","MOKα","","0.0965","0.0458","","","0.0851","0.0949","","","","","","0.988","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151856","36.9379","0.0014","28.7704","0.0011","15.802","0.0006","90","","113.74","0.01","90","","15372.1","1.6","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(1RS,2SR,3SR,13bRS)-3-Phenyl-2,3,9,13b-tetrahydro-1H-dibenzo[c,f]pyrrolo [1,2-a]azepine-1,2-dicarbonitrile","","- C25.06 H19.13 Cl0.13 N3 -","- C25.0625 H19.125 Cl0.125 N3 -","- C802 H612 Cl4 N96 -","32","4","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","0.71073","MOKα","","0.1394","0.0606","","","0.1357","0.1546","","","","","","0.95","","","","has coordinates,has disorder","180304","2020-10-21","18:00:00",""
"7151857","12.6196","0.0002","5.8517","0.0001","12.6336","0.0002","90","","99.29","0.01","90","","920.71","0.04","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","(1RS,2RS,3SR,13bRS)-3-Phenyl-2,3,9,13b-tetrahydro-1H- dibenzo[c,f]pyrrolo[1,2-a]azepine-1,2-dicarbonitrile","","- C25 H19 N3 -","- C25 H19 N3 -","- C50 H38 N6 -","2","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","1.54188","CuKα","","0.0355","0.0331","","","0.0805","0.0822","","","","","","1.066","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151858","10.6905","0.0002","7.6706","0.0001","29.1159","0.0004","90","","90.142","0.001","90","","2387.57","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3aRS,3bRS,14SR,14aSR)-14-(4-Chlorophenyl)-2-phenyl-3b,8,14,14a- tetrahydro-dibenzo[c,f]pyrrolo[3',4':3,4]pyrrolo[1,2-a]azepine- 1,3(2H,3aH)-dione","","- C31 H23 Cl N2 O2 -","- C31 H23 Cl N2 O2 -","- C124 H92 Cl4 N8 O8 -","4","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","1.54188","CUKα","","0.0525","0.0426","","","0.113","0.1178","","","","","","1.042","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151859","10.1977","0.0015","16.971","0.003","11.0473","0.0017","90","","113.378","0.01","90","","1754.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Sun, Fang-gang; Ye, Song","N-heterocyclic carbene-catalyzed [4 + 1] annulation of phthalaldehyde and imines.","Organic & biomolecular chemistry","2011","9","10","3632","3635","10.1039/c1ob05092c","","","1.54186","CuKα","","0.0441","0.0371","","","0.0962","0.0994","","","","","","1.071","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151860","5.9224","0.0002","11.4859","0.0004","17.6998","0.0005","90","","90","","90","","1204.01","0.07","123","","123","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Macabeo, Allan Patrick G.; Kreuzer, Andreas; Reiser, Oliver","Stereoselective routes to aryl substituted γ-butyrolactones and their application towards the synthesis of highly oxidised furanocembranoids.","Organic & biomolecular chemistry","2011","9","9","3146","3150","10.1039/c1ob05113j","","x-ray","1.54184","CuKα","","0.0296","0.0292","","","0.0746","0.0749","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151861","7.8226","0.0002","10.0497","0.0002","9.1628","0.0002","90","","102.925","0.002","90","","702.08","0.03","123","","123","","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C26 H40 O14 -","2","1","","Macabeo, Allan Patrick G.; Kreuzer, Andreas; Reiser, Oliver","Stereoselective routes to aryl substituted γ-butyrolactones and their application towards the synthesis of highly oxidised furanocembranoids.","Organic & biomolecular chemistry","2011","9","9","3146","3150","10.1039/c1ob05113j","","x-ray","1.54184","CuKα","","0.0289","0.0282","","","0.0739","0.0742","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151862","10.838","0.001","7.683","0.001","12.432","0.001","90","","97.66","0.01","90","","1025.95","0.18","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rac-(2S,4S,6S)-2-methyl-2,3,4,6-tetrahydro-1H-2,6- methanobenzo(c)-(1,5)oxazocin-4-ol","rac-(2S,4S,6S)-2-methyl-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c]- [1,5]oxazocin-4-ol","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Bourcet, Emmanuel; Bröhmer, Manuel C; Nieger, Martin; Bräse, Stefan","Synthetic studies towards marmycins A and B: development of the vinylogous aldol-aza-Michael domino reaction.","Organic & biomolecular chemistry","2011","9","9","3136","3138","10.1039/c1ob05124e","","","0.71073","MoKα","","0.0503","0.0394","","","0.0916","0.0977","","","","","","1.036","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151863","7.5344","0.0006","22.298","0.0013","7.2117","0.0007","90","","114.172","0.007","90","","1105.35","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-(2S,4S,6S)-2,10-dimethyl-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c]- [1,5]oxazocin-4-ol","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Bourcet, Emmanuel; Bröhmer, Manuel C; Nieger, Martin; Bräse, Stefan","Synthetic studies towards marmycins A and B: development of the vinylogous aldol-aza-Michael domino reaction.","Organic & biomolecular chemistry","2011","9","9","3136","3138","10.1039/c1ob05124e","","","0.71073","MoKα","","0.0438","0.0403","","","0.1004","0.1033","","","","","","1.078","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151864","8.6252","0.0003","8.6773","0.0003","43.7286","0.0016","90","","90","","90","","3272.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br Fe O7 -","- C14 H13 Br Fe O7 -","- C112 H104 Br8 Fe8 O56 -","8","2","","Griffen, Julia A.; Le Coz, Amélie M; Kociok-Köhn, Gabriele; Khan, Monika Ali; Stewart, Alan J. W.; Lewis, Simon E.","Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds.","Organic & biomolecular chemistry","2011","9","10","3920","3928","10.1039/c1ob05131h","","","0.71073","MoKα","","0.0677","0.0437","","","0.0788","0.086","","","","","","1.063","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151865","27.8075","0.0004","27.8075","0.0004","6.4708","0.0001","90","","90","","120","","4333.24","0.11","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C19 H18 Br N3 O6 -","- C19 H18 Br N3 O6 -","- C114 H108 Br6 N18 O36 -","6","1","","Griffen, Julia A.; Le Coz, Amélie M; Kociok-Köhn, Gabriele; Khan, Monika Ali; Stewart, Alan J. W.; Lewis, Simon E.","Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds.","Organic & biomolecular chemistry","2011","9","10","3920","3928","10.1039/c1ob05131h","","","1.54184","CuKα","","0.0418","0.0379","","","0.085","0.0864","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151866","9.1431","0.001","9.1984","0.0011","21.398","0.003","98.89","0.002","92.687","0.002","95.661","0.002","1765.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O3 S -","- C15 H19 F3 N2 O3 S -","- C60 H76 F12 N8 O12 S4 -","4","2","","Zhang, Fan; Liu, Zhen-Jiang; Liu, Jin-Tao","Asymmetric aza-Henry reaction of chiral fluoroalkyl α,β-unsaturated N-tert-butanesulfinyl ketoimines: an efficient approach to enantiopure fluoroalkylated α,β-diamines and α,β-diamino acids.","Organic & biomolecular chemistry","2011","9","10","3625","3628","10.1039/c1ob05132f","","","0.71073","MoKα","","0.0917","0.0562","","","0.1244","0.1391","","","","","","0.888","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151867","28.269","0.003","30.785","0.003","7.2402","0.0007","90","","90","","90","","6300.9","1.1","100","0.1","100","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C256 H288 N32 O96 -","16","1","","Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan","Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.","Organic & biomolecular chemistry","2011","9","10","3629","3631","10.1039/c1ob05143a","","","0.71073","MoKα","","0.0598","0.0472","","","0.1266","0.1362","","","","","","1.041","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151868","9.2295","0.0005","11.037","0.0007","17.1487","0.0008","90","","121.994","0.003","90","","1481.53","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","","Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan","Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.","Organic & biomolecular chemistry","2011","9","10","3629","3631","10.1039/c1ob05143a","","","0.71073","MoKα","","0.0419","0.0363","","","0.1023","0.1077","","","","","","1.051","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151869","30.1583","0.0005","13.3236","0.0002","16.1956","0.0003","90","","107.909","0.001","90","","6192.35","0.18","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C256 H288 N32 O96 -","16","4","","Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan","Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.","Organic & biomolecular chemistry","2011","9","10","3629","3631","10.1039/c1ob05143a","","","0.71073","MoKα","","0.0561","0.0466","","","0.1172","0.1279","","","","","","1.048","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151870","8.39707","0.00008","9.14896","0.00009","35.0858","0.0003","90","","90","","90","","2695.45","0.04","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 Cl N2 O2 Ru S -","- C31 H33 Cl N2 O2 Ru S -","- C124 H132 Cl4 N8 O8 Ru4 S4 -","4","1","","Soni, Rina; Cheung, Fung Kei; Clarkson, Guy C.; Martins, Jose E. D.; Graham, Mark A.; Wills, Martin","The importance of the N-H bond in Ru/TsDPEN complexes for asymmetric transfer hydrogenation of ketones and imines.","Organic & biomolecular chemistry","2011","9","9","3290","3294","10.1039/c1ob05208j","","","1.54184","CuKα","","0.0299","0.0292","","","0.0742","0.0745","","","","","","1.096","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151871","10.3603","0.0002","11.0519","0.0003","14.0747","0.0003","90.6376","0.0019","103.528","0.0017","107.614","0.002","1487.55","0.06","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C31 H37 Cl N2 O3 Ru S -","- C31 H37 Cl N2 O3 Ru S -","- C62 H74 Cl2 N4 O6 Ru2 S2 -","2","2","","Soni, Rina; Cheung, Fung Kei; Clarkson, Guy C.; Martins, Jose E. D.; Graham, Mark A.; Wills, Martin","The importance of the N-H bond in Ru/TsDPEN complexes for asymmetric transfer hydrogenation of ketones and imines.","Organic & biomolecular chemistry","2011","9","9","3290","3294","10.1039/c1ob05208j","","","0.71073","MoKα","","0.0247","0.0233","","","0.0548","0.0553","","","","","","1.004","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151872","21.472","0.003","7.807","0.006","25.852","0.004","90","","115.95","0.02","90","","3897","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,4-diphenyloctahydroquinolin-1(2H)-ol","2,4-diphenyloctahydroquinolin-1(2H)-ol","","- C24 H28 N O -","- C24 H28 N O -","- C192 H224 N8 O8 -","8","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","0.71073","MoKα","","0.1042","0.0541","","","0.0979","0.1245","","","","","","1.023","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151873","19.532","0.003","5.3933","0.0007","16.414","0.002","90","","90.279","0.012","90","","1729.1","0.4","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","4-(4-chlorophenyl)-2-phenyl-N-hydroxy decahydroquinoline","4-(4-chlorophenyl)-2-phenyl-N-hydroxy decahydroquinoline","","- C21 H24 Cl N O -","- C21 H24 Cl N O -","- C84 H96 Cl4 N4 O4 -","4","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","1.54178","CuKα","","0.0527","0.0411","","","0.0918","0.0953","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151874","26.535","0.003","26.535","0.003","13.671","0.002","90","","90","","120","","8336.2","1.8","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","1-hydroxy2,4, 6-triiphenylpiperazine","1-hydroxy2,4, 6-triiphenylpiperazine","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C396 H396 N36 O18 -","18","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","0.71073","MoKα","","0.0993","0.0615","","","0.1764","0.1962","","","","","","1.128","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151875","6.2211","0.0003","14.25","0.0007","19.7004","0.001","90","","90","","90","","1746.45","0.15","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","14 December 2010","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","1.54178","CuKα","","0.0301","0.0274","","","0.0655","0.0662","","","","","","1.066","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151876","8.101","0.0016","11.081","0.002","16.926","0.003","100.23","0.03","99.2","0.03","104.73","0.03","1412.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H24 Cl F3 N2 O3 S -","- C31 H24 Cl F3 N2 O3 S -","- C62 H48 Cl2 F6 N4 O6 S2 -","2","1","","Chaitanya, T. Krishna; Nagarajan, Rajagopal","Synthesis of functionalized ellipticinium and ellipticine derivatives via electrophilic cyclization","Organic & Biomolecular Chemistry","2011","9","12","4662","","10.1039/c1ob05258f","","","0.71073","MoKα","","0.1654","0.0954","","","0.1895","0.224","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151877","8.1925","0.0003","16.7763","0.0008","21.6041","0.001","90","","90","","90","","2969.3","0.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H29 F3 N2 O3 S -","- C33 H29 F3 N2 O3 S -","- C132 H116 F12 N8 O12 S4 -","4","1","","Chaitanya, T. Krishna; Nagarajan, Rajagopal","Synthesis of functionalized ellipticinium and ellipticine derivatives via electrophilic cyclization","Organic & Biomolecular Chemistry","2011","9","12","4662","","10.1039/c1ob05258f","","","0.71073","MoKα","","0.0962","0.0607","","","0.139","0.1622","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151878","18.2414","0.0009","5.4302","0.0002","14.7271","0.0007","90","","105.429","0.002","90","","1406.21","0.11","150","2","150","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N3 -","- C8 H7 N3 -","- C64 H56 N24 -","8","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0462","0.0397","","","0.1059","0.1121","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151879","7.051","0.0002","20.8154","0.0006","7.2666","0.0002","90","","100.688","0.002","90","","1048.01","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 I2 N2 S -","- C7 H4 I2 N2 S -","- C28 H16 I8 N8 S4 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0314","0.0292","","","0.0619","0.0627","","","","","","1.201","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151880","6.8316","0.0004","13.4938","0.0007","12.1649","0.0007","90","","101.594","0.002","90","","1098.53","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 I2 N3 -","- C8 H5 I2 N3 -","- C32 H20 I8 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0319","0.0291","","","0.0675","0.069","","","","","","1.099","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151881","7.1532","0.0003","14.745","0.0006","8.1035","0.0004","90","","91.883","0.001","90","","854.25","0.07","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 I N3 -","- C8 H6 I N3 -","- C32 H24 I4 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0232","0.0207","","","0.0504","0.0515","","","","","","1.12","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151882","7.1322","0.0002","10.9173","0.0003","13.3983","0.0004","90","","99.759","0.001","90","","1028.15","0.05","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 I2 N3 -","- C8 H5 I2 N3 -","- C32 H20 I8 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0195","0.018","","","0.0445","0.0451","","","","","","1.138","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151883","11.8807","0.0005","7.3931","0.0003","14.398","0.0006","90","","92.696","0.002","90","","1263.25","0.09","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Cl I3 N3 -","- C8 H3 Cl I3 N3 -","- C32 H12 Cl4 I12 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0461","0.04","","","0.0924","0.0955","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151884","7.3777","0.0003","19.1576","0.0009","8.7098","0.0004","90","","111.017","0.002","90","","1149.14","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 I N3 -","- C11 H12 I N3 -","- C44 H48 I4 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0253","0.0221","","","0.0509","0.0596","","","","","","1.21","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151885","6.9744","0.0003","26.4537","0.0012","7.2619","0.0003","90","","90.717","0.002","90","","1339.71","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 I2 N3 -","- C11 H11 I2 N3 -","- C44 H44 I8 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0294","0.0281","","","0.0601","0.0606","","","","","","1.288","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151886","8.3852","0.0003","10.209","0.0003","16.0643","0.0005","90","","90","","90","","1375.18","0.08","150","2","150","2","","","","","","","synthesis as described","4","P n a b","-P 2bc 2n","60","","","","- C12 H8 I2 N4 -","- C12 H8 I2 N4 -","- C48 H32 I8 N16 -","4","0.5","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0203","0.017","","","0.0359","0.037","","","","","","1.064","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151887","6.3843","0.0005","30.629","0.002","7.1492","0.0006","90","","94.735","0.003","90","","1393.22","0.18","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.077","0.0683","","","0.1439","0.1473","","","","","","1.188","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151888","11.299","0.003","4.2309","0.0009","14.743","0.003","90","","90.229","0.008","90","","704.8","0.3","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C8 H7 N3 -","- C8 H7 N3 -","- C32 H28 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0797","0.0565","","","0.1401","0.1539","","","","","","1.136","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151889","7.745","0.004","12.472","0.006","10.787","0.005","90","","92.06","0.014","90","","1041.3","0.9","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.1551","0.0685","","","0.1467","0.1724","","","","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151890","21.913","0.003","23.156","0.003","23.85","0.004","93.385","0.006","108.751","0.006","95.706","0.005","11349","3","133","","133","","","","","","","","","6","P -1","-P 1","2","","","","- C205 H292 N16 O P12 Pt6 -","- C205 H292 N16 O P12 Pt6 -","- C410 H584 N32 O2 P24 Pt12 -","2","1","","Harano, Aya; Tanaka, Minako; Nakagaki, Takeshi; Annaka, Masahiko; Ideta, Keiko; Goto, Kenta; Shinmyozu, Teruo","Changing the volume of a giant macrocycle: the swelling of the macrocycle with organic solvents.","Organic & biomolecular chemistry","2011","9","10","3611","3614","10.1039/c1ob05272a","","","0.71075","MoKα","","","0.0888","","","","0.2755","","","","","","1.031","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151891","13.323","0.002","15.987","0.003","17.448","0.003","90","","90","","90","","3716.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Br N O7 -","- C40 H36 Br N O7 -","- C160 H144 Br4 N4 O28 -","4","1","","Xue, Zhi-Yong; Fang, Xin; Wang, Chun-Jiang","Asymmetric construction of 3-vinylidene-pyrrolidine derivatives containing allene moiety via Ag(I)/TF-BiphamPhos-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with diethyl 2-(3,3-diphenylpropa-1,2-dienylidene) malonate.","Organic & biomolecular chemistry","2011","9","10","3622","3624","10.1039/c1ob05291h","","","0.71073","MoKα","","0.0684","0.0509","","","0.1344","0.1463","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151892","15.475","0.006","12.2","0.004","18.441","0.007","90","","107.63","0.007","90","","3318","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N4 O5 -","- C39 H38 N4 O5 -","- C156 H152 N16 O20 -","4","1","","Liu, Wei-Yong; Li, Hai-Ying; Zhao, Bao-Xiang; Miao, Jun-Ying","Synthesis, crystal structure and living cell imaging of a Cu2±specific molecular probe","Organic & Biomolecular Chemistry","2011","9","13","4802","","10.1039/c1ob05358b","","","0.71073","MoKα","","0.0949","0.0553","","","0.1414","0.1666","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151893","10.3869","0.0006","13.1736","0.0007","15.8519","0.0008","90","","90","","90","","2169.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br O3 -","- C25 H31 Br O3 -","- C100 H124 Br4 O12 -","4","1","","Stastna, Eva; Rath, Nigam P.; Covey, Douglas F.","The use of symmetry in enantioselective synthesis: Four pairs of chrysene enantiomers prepared from 19-nortestosterone","Organic & Biomolecular Chemistry","2011","9","12","4685","","10.1039/c1ob05385j","","","0.71073","MoKα","","0.0236","0.0205","","","0.0488","0.05","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151894","7.9684","0.001","10.9755","0.0014","12.0108","0.0015","72.528","0.002","72.231","0.002","83.35","0.002","953.8","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H17 Br O6 -","- C22 H17 Br O6 -","- C44 H34 Br2 O12 -","2","2","","Gao, Yaojun; Ren, Qiao; Ang, Swee-Meng; Wang, Jian","Enantioselective organocatalytic Michael-hemiketalization catalyzed by a trans-bifunctional indane thiourea catalyst.","Organic & biomolecular chemistry","2011","9","10","3691","3697","10.1039/c1ob05404j","","","0.71073","MoKα","","0.033","0.0302","","","0.0683","0.0698","","","","","","0.857","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151895","6.246","0.002","10.219","0.003","12.572","0.005","110.08","0.03","93.86","0.03","95.48","0.03","745.9","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C34 H40 O8 -","2","1","","Merritt, Andrew T.; Pouwer, Rebecca H.; Williams, David J.; Williams, Craig M.; Ley, Steven V.","The clerodane ring system: investigating the viability of a direct Diels‒Alder approach","Organic & Biomolecular Chemistry","2011","9","13","4745","","10.1039/c1ob05422h","","","1.54178","CuKα","","0.0763","0.054","","","0.1286","0.137","","","","","","0.972","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151896","11.914","0.004","11.74","0.004","12.726","0.004","90","","106.442","0.005","90","","1707.2","1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 N O Si -","- C16 H25 N O Si -","- C64 H100 N4 O4 Si4 -","4","1","","Chin, Chih-Lung; Liao, Cheng-Feng; Liu, Hsing-Jang; Wong, Ying-Chieh; Hsieh, Ming-Tsang; Amancha, Prashanth K.; Chang, Chun-Ping; Shia, Kak-Shan","Conia-ene annulation of the α-cyano β-TMS-capped alkynyl cycloalkanone system and its synthetic application","Organic & Biomolecular Chemistry","2011","9","13","4778","","10.1039/c1ob05591g","","","0.71073","MoKα","","0.1534","0.0567","","","0.1344","0.1603","","","","","","0.802","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151897","10.5629","0.0009","12.6906","0.001","12.5122","0.0009","90","","100.65","0.005","90","","1648.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 N O Si -","- C16 H27 N O Si -","- C64 H108 N4 O4 Si4 -","4","1","","Chin, Chih-Lung; Liao, Cheng-Feng; Liu, Hsing-Jang; Wong, Ying-Chieh; Hsieh, Ming-Tsang; Amancha, Prashanth K.; Chang, Chun-Ping; Shia, Kak-Shan","Conia-ene annulation of the α-cyano β-TMS-capped alkynyl cycloalkanone system and its synthetic application","Organic & Biomolecular Chemistry","2011","9","13","4778","","10.1039/c1ob05591g","","","0.71073","MoKα","","0.0836","0.0366","","","0.0618","0.0668","","","","","","0.758","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151898","17.6183","0.0011","6.826","0.0004","25.7319","0.0016","90","","109.769","0.001","90","","2912.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N O Si -","- C14 H21 N O Si -","- C112 H168 N8 O8 Si8 -","8","2","","Chin, Chih-Lung; Liao, Cheng-Feng; Liu, Hsing-Jang; Wong, Ying-Chieh; Hsieh, Ming-Tsang; Amancha, Prashanth K.; Chang, Chun-Ping; Shia, Kak-Shan","Conia-ene annulation of the α-cyano β-TMS-capped alkynyl cycloalkanone system and its synthetic application","Organic & Biomolecular Chemistry","2011","9","13","4778","","10.1039/c1ob05591g","","","0.71073","MoKα","","0.1407","0.052","","","0.1137","0.1464","","","","","","0.9","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151899","6.526","0.006","11.83","0.01","12.312","0.011","90","","104.267","0.013","90","","921.2","1.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C40 H56 O14 -","2","1","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.1322","0.086","","","0.149","0.1641","","","","","","1.164","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151900","26.995","0.005","6.0828","0.0012","14.322","0.003","90","","117.723","0.003","90","","2081.8","0.7","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H32 O8 -","- C22 H32 O8 -","- C88 H128 O32 -","4","1","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.067","0.061","","","0.1594","0.1647","","","","","","0.999","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151901","9.6172","0.0017","14.543","0.003","27.025","0.005","90","","90","","90","","3779.8","1.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19.5 H28 O8.5 -","- C19.5 H28 O8.5 -","- C156 H224 O68 -","8","2","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.0933","0.0628","","","0.166","0.1948","","","","","","1.209","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151902","10.3751","0.001","7.7786","0.0007","11.4085","0.0011","90","","99.955","0.002","90","","906.85","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C40 H56 O14 -","2","1","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.0375","0.0365","","","0.0918","0.0927","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151903","4.942","0.004","11.622","0.011","15.783","0.014","90","","93.573","0.014","90","","904.7","1.4","296","2","296","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","Fmoc-Val-CH2OH","Fmoc-Val-CH2OH","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.","A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.","Organic & biomolecular chemistry","2011","9","11","4182","4187","10.1039/c0ob01226b","","x-ray","0.71073","MoKα","","0.0758","0.041","","","0.0508","0.0548","","","","","","1.456","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151904","10.578","0.004","11.206","0.004","23.306","0.008","90","","90","","90","","2762.6","1.7","296","2","296","2","","","101.325","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","Boc-Aib-Ala-Leu-CH2OH","Boc-Aib-Ala-Leu-CH2OH","","- C19 H36 Cl3 N3 O5 -","- C19 H36 Cl3 N3 O5 -","- C76 H144 Cl12 N12 O20 -","4","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.","A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.","Organic & biomolecular chemistry","2011","9","11","4182","4187","10.1039/c0ob01226b","","x-ray","0.71073","MoKα","","0.2755","0.0673","","","0.1608","0.2113","","","","","","0.715","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151905","9.704","0.003","13.077","0.003","25.661","0.007","90","","90","","90","","3256.4","1.5","296","2","200","","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Dipeptide alcohol","Dipeptide alcohol","","- C13 H26 N2 O4 -","- C13 H26 N2 O4 -","- C104 H208 N16 O32 -","8","2","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.","A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.","Organic & biomolecular chemistry","2011","9","11","4182","4187","10.1039/c0ob01226b","","x-ray","0.71073","MoKα","","0.1186","0.0653","","","0.0964","0.1069","","","","","","1.592","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151906","6.967","0.0014","10.517","0.002","11.826","0.002","87.388","0.003","73.485","0.003","85.092","0.003","827.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N2 O4 Se -","- C16 H20 N2 O4 Se -","- C32 H40 N4 O8 Se2 -","2","1","","Bhabak, Krishna P.; Vernekar, Amit A.; Jakka, Surendar R.; Roy, Gouriprasanna; Mugesh, Govindasamy","Mechanistic investigations on the efficient catalytic decomposition of peroxynitrite by ebselen analogues.","Organic & biomolecular chemistry","2011","9","14","5193","5200","10.1039/c0ob01234c","","","0.71073","MoKα","","0.0451","0.0395","","","0.1084","0.1116","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151907","9.0838","0.0014","24.279","0.002","14.5751","0.0018","90","","102.451","0.002","90","","3138.9","0.7","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C128 H152 N40 -","8","1","","Jiang, Bo; Wang, Xiang; Shi, Feng; Tu, Shu-Jiang; Li, Guigen","New multicomponent cyclization: domino synthesis of pentasubstituted pyridines under solvent-free conditions.","Organic & biomolecular chemistry","2011","9","11","4025","4028","10.1039/c0ob01258k","","","0.71073","MoKα","","0.143","0.0721","","","0.1719","0.1987","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151908","12.6769","0.0002","12.8446","0.0002","14.6153","0.0003","91.343","0.001","94.061","0.001","106.217","0.001","2277.06","0.07","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H66 O6 -","- C50 H66 O6 -","- C100 H132 O12 -","2","1","","Fischer, Conrad; Gruber, Tobias; Seichter, Wilhelm; Weber, Edwin","Bridge-substituted calix[4]arenes: syntheses, conformations and application.","Organic & biomolecular chemistry","2011","9","11","4347","4352","10.1039/c1ob00028d","","","0.71073","MoKα","","0.0525","0.0395","","","0.1108","0.1304","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151909","11.5457","0.0002","24.1928","0.0005","17.0958","0.0003","90","","96.098","0.001","90","","4748.23","0.15","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H70 O6 -","- C52 H70 O6 -","- C208 H280 O24 -","4","1","","Fischer, Conrad; Gruber, Tobias; Seichter, Wilhelm; Weber, Edwin","Bridge-substituted calix[4]arenes: syntheses, conformations and application.","Organic & biomolecular chemistry","2011","9","11","4347","4352","10.1039/c1ob00028d","","","0.71073","MoKα","","0.0943","0.0581","","","0.152","0.1674","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151910","7.168","0.003","15.046","0.007","9.688","0.004","90","","90","","90","","1044.8","0.8","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Wang, Ren; Lu, Shen-Ci; Zhang, Yi-Ming; Shi, Zong-Jun; Zhang, Wei","One-pot synthesis of benzo[f]quinolin-3-ones and benzo[a]phenanthridein-5-ones by the photoanuulation of 6-chloropyridin-2-ones and 3-chloroisoquinolin-1-ones to phenylacetylene.","Organic & biomolecular chemistry","2011","9","16","5802","5808","10.1039/c1ob05082f","","","0.71073","MoKα","","0.0612","0.0429","","","0.0879","0.0966","","","","","","0.975","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151911","7.272","0.004","11.909","0.006","17.041","0.008","90","","90","","90","","1475.8","1.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","","Wang, Ren; Lu, Shen-Ci; Zhang, Yi-Ming; Shi, Zong-Jun; Zhang, Wei","One-pot synthesis of benzo[f]quinolin-3-ones and benzo[a]phenanthridein-5-ones by the photoanuulation of 6-chloropyridin-2-ones and 3-chloroisoquinolin-1-ones to phenylacetylene.","Organic & biomolecular chemistry","2011","9","16","5802","5808","10.1039/c1ob05082f","","","0.71073","MoKα","","0.1164","0.0616","","","0.1496","0.1772","","","","","","0.974","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151912","10.628","0.004","34.498","0.009","7.374","0.003","90","","90","","90","","2703.6","1.7","93","2","93","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C12 H14 B F4 N3 O -","- C12 H14 B F4 N3 O -","- C96 H112 B8 F32 N24 O8 -","8","1","","Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.","Organic & biomolecular chemistry","2011","9","11","4205","4218","10.1039/c1ob05160a","","","0.71073","MoKα","","0.1024","0.0586","","","0.0972","0.1106","","","","","","1.041","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151913","6.7538","0.0009","10.5562","0.0015","17.047","0.002","90","","90","","90","","1215.4","0.3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 B F4 N3 -","- C11 H12 B F4 N3 -","- C44 H48 B4 F16 N12 -","4","1","","Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.","Organic & biomolecular chemistry","2011","9","11","4205","4218","10.1039/c1ob05160a","","","0.71073","MoKα","","0.0459","0.0439","","","0.1195","0.1218","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151914","8.2061","0.0017","7.6948","0.0016","10.792","0.002","90","","101.725","0.005","90","","667.2","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H7 B F9 N3 -","- C11 H7 B F9 N3 -","- C22 H14 B2 F18 N6 -","2","1","","Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.","Organic & biomolecular chemistry","2011","9","11","4205","4218","10.1039/c1ob05160a","","","0.71073","MoKα","","0.0638","0.0528","","","0.1303","0.1421","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151915","5.5353","0.0002","6.5391","0.0003","15.0596","0.0007","85.657","0.001","81.972","0.001","89.189","0.002","538.2","0.04","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C11 H10 Cl N3 O -","- C11 H10 Cl N3 O -","- C22 H20 Cl2 N6 O2 -","2","1","","Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence","A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.","Organic & biomolecular chemistry","2011","9","11","4295","4305","10.1039/c1ob05176h","","x-ray","0.71073","MoKα","","0.0317","0.0302","","","0.0817","0.0834","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151916","5.6105","0.0002","6.4884","0.0003","15.2886","0.0007","86.338","0.002","81.785","0.002","89.249","0.002","549.71","0.04","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C11 H10 Br N3 O -","- C11 H10 Br N3 O -","- C22 H20 Br2 N6 O2 -","2","1","","Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence","A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.","Organic & biomolecular chemistry","2011","9","11","4295","4305","10.1039/c1ob05176h","","x-ray","0.71073","MoKα","","0.0192","0.0179","","","0.0446","0.0452","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151917","3.8164","0.0001","12.722","0.0003","46.6476","0.0013","90","","90","","90","","2264.85","0.1","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C11 H10 Cl N3 O2 -","- C11 H10 Cl N3 O2 -","- C88 H80 Cl8 N24 O16 -","8","2","","Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence","A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.","Organic & biomolecular chemistry","2011","9","11","4295","4305","10.1039/c1ob05176h","","x-ray","0.71073","MoKα","","0.0454","0.0403","","","0.0874","0.0898","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151918","28.52","0.005","8.754","0.005","14.701","0.005","90","0.005","110.802","0.005","90","0.005","3431","2","100","2","100","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N4 O3 -","- C21 H14 N4 O3 -","- C168 H112 N32 O24 -","8","1","","Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence","A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.","Organic & biomolecular chemistry","2011","9","11","4295","4305","10.1039/c1ob05176h","","x-ray","0.71073","MoKα","","0.0446","0.037","","","0.0905","0.0953","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151919","14.338","0.001","34.567","0.003","18.529","0.002","90","","106.02","0.01","90","","8826.7","1.4","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H124 O10 P4 S2 -","- C96 H124 O10 P4 S2 -","- C384 H496 O40 P16 S8 -","4","1","","Vachon, Jérôme; Harthong, Steven; Jeanneau, Erwann; Aronica, Christophe; Vanthuyne, Nicolas; Roussel, Christian; Dutasta, Jean-Pierre","Inherently chiral phosphonatocavitands as artificial chemo- and enantio-selective receptors of natural ammoniums.","Organic & biomolecular chemistry","2011","9","14","5086","5091","10.1039/c1ob05194f","","","1.5418","CuKα","","0.1591","0.1298","","0.295","0.2574","0.295","","","","","","1.072","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151920","11.9557","0.0004","15.3805","0.0004","22.8398","0.0006","95.81","0.002","95.876","0.002","90.902","0.002","4154.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H123 Cl3 O11 P2 -","- C87 H123 Cl3 O11 P2 -","- C174 H246 Cl6 O22 P4 -","2","1","","Vachon, Jérôme; Harthong, Steven; Jeanneau, Erwann; Aronica, Christophe; Vanthuyne, Nicolas; Roussel, Christian; Dutasta, Jean-Pierre","Inherently chiral phosphonatocavitands as artificial chemo- and enantio-selective receptors of natural ammoniums.","Organic & biomolecular chemistry","2011","9","14","5086","5091","10.1039/c1ob05194f","","","1.5418","CuKα","","0.0993","0.0923","","0.1992","0.19","0.1992","","","","","","1.0423","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151921","9.713","0.002","11.179","0.002","13.663","0.003","90","","109.59","0.03","90","","1397.7","0.6","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","Compound 7","5-hydroxy-2-(p-tolylthio)naphthalene-1,4-dione","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C68 H48 O12 S4 -","4","1","","da Rocha, David R.; de Souza, Ana C. G.; Resende, Jackson A. L. C.; Santos, Wilson C.; dos Santos, Evelyne A.; Pessoa, Cláudia; de Moraes, Manoel O.; Costa-Lotufo, Letícia V; Montenegro, Raquel C.; Ferreira, Vitor F.","Synthesis of new 9-hydroxy-α- and 7-hydroxy-β-pyran naphthoquinones and cytotoxicity against cancer cell lines.","Organic & biomolecular chemistry","2011","9","11","4315","4322","10.1039/c1ob05209h","","x-ray","0.71073","MoKα","","0.1224","0.0509","","","0.1104","0.1351","","","","","","0.951","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151922","8.9234","0.0007","8.6499","0.0007","17.8425","0.0008","90","","103.821","0.007","90","","1337.33","0.17","130","2","130","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","8-hydroxy-2-(p-tolylthio)naphthalene-1,4-dione","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C68 H48 O12 S4 -","4","1","","da Rocha, David R.; de Souza, Ana C. G.; Resende, Jackson A. L. C.; Santos, Wilson C.; dos Santos, Evelyne A.; Pessoa, Cláudia; de Moraes, Manoel O.; Costa-Lotufo, Letícia V; Montenegro, Raquel C.; Ferreira, Vitor F.","Synthesis of new 9-hydroxy-α- and 7-hydroxy-β-pyran naphthoquinones and cytotoxicity against cancer cell lines.","Organic & biomolecular chemistry","2011","9","11","4315","4322","10.1039/c1ob05209h","","x-ray","1.54184","CuKα","","0.0476","0.0345","","","0.0869","0.0934","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151923","10.879","0.007","8.725","0.006","17.898","0.012","90","","92.108","0.009","90","","1698","2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","","Zhou, Wei; An, Guanghui; Zhang, Guangqian; Han, Jianlin; Pan, Yi","Ligand-free palladium-catalyzed intramolecular Heck reaction of secondary benzylic bromides.","Organic & biomolecular chemistry","2011","9","16","5833","5837","10.1039/c1ob05231d","","","0.71073","MoKα","","0.0985","0.065","","","0.1438","0.1506","","","","","","1.049","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151924","18.6624","0.0003","6.6549","0.0001","19.1657","0.0004","90","","105.704","0.0008","90","","2291.46","0.07","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20.5 H26.5 N4 O11.75 Os -","- C20.5 H23.5 N4 O11.75 Os -","- C82 H94 N16 O47 Os4 -","4","2","","Sugizaki, Kaori; Ikeda, Shuji; Yanagisawa, Hiroyuki; Okamoto, Akimitsu","Facile synthesis of hydroxymethylcytosine-containing oligonucleotides and their reactivity upon osmium oxidation.","Organic & biomolecular chemistry","2011","9","11","4176","4181","10.1039/c1ob05247k","","","0.71073","MoKα","","0.0395","0.033","","","0.0688","0.0712","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151925","11.4682","0.0011","19.7219","0.0018","9.6293","0.0009","90","","103.607","0.005","90","","2116.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Triazolo-pyrazine","","","- C23 H25 F N4 O2 S -","- C23 H25 F N4 O2 S -","- C92 H100 F4 N16 O8 S4 -","4","1","","Chowdhury, Chinmay; Mukherjee, Sanjukta; Chakraborty, Biswajit; Achari, Basudeb","A rapid and facile method for the general synthesis of 3-aryl substituted 4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazines and their ring fused analogues.","Organic & biomolecular chemistry","2011","9","16","5856","5862","10.1039/c1ob05255a","","","0.71073","MoKα","","0.0511","0.0423","","","0.1308","0.1436","","","","","","1.012","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151926","7.9258","0.0004","16.4316","0.0008","12.9933","0.0006","90","","105.595","0.002","90","","1629.87","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Triazolo-pyrazine","","","- C18 H15 F3 N4 -","- C18 H15 F3 N4 -","- C72 H60 F12 N16 -","4","2","","Chowdhury, Chinmay; Mukherjee, Sanjukta; Chakraborty, Biswajit; Achari, Basudeb","A rapid and facile method for the general synthesis of 3-aryl substituted 4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazines and their ring fused analogues.","Organic & biomolecular chemistry","2011","9","16","5856","5862","10.1039/c1ob05255a","","","0.71073","MoKα","","0.1039","0.0783","","","0.2102","0.2271","","","","","","1.109","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151927","4.8025","0.0002","11.5872","0.0008","33.05","0.002","90","","90","","90","","1839.15","0.19","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(7-Methoxy-5H-pyrrolo[1,2-a]quinoxalin-4-ylidene)-N'-quinolin- 4-ylmethylene-hydrazine hydrate","","- C22 H19 N5 O2 -","- C22 H19 N5 O2 -","- C88 H76 N20 O8 -","4","1","","Gemma, Sandra; Colombo, Laura; Forloni, Gianluigi; Savini, Luisa; Fracasso, Claudia; Caccia, Silvio; Salmona, Mario; Brindisi, Margherita; Joshi, Bhupendra P.; Tripaldi, Pierangela; Giorgi, Gianluca; Taglialatela-Scafati, Orazio; Novellino, Ettore; Fiorini, Isabella; Campiani, Giuseppe; Butini, Stefania","Pyrroloquinoxaline hydrazones as fluorescent probes for amyloid fibrils.","Organic & biomolecular chemistry","2011","9","14","5137","5148","10.1039/c1ob05288h","","","0.71073","MoKα","","0.1048","0.0573","","","0.0966","0.1106","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151928","24.252","0.003","9.3398","0.0011","17.6282","0.0017","90","","102.784","0.005","90","","3894","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(7-Methoxy-5H-pyrrolo[1,2-a]quinoxalin-4-ylidene)-N'-quinolin-4-ylmethylene- -hydrazine hydrate with methanol","","- C22.42 H17 N5 O2 -","- C22.416 H17 N5 O2 -","- C179.328 H136 N40 O16 -","8","1","","Gemma, Sandra; Colombo, Laura; Forloni, Gianluigi; Savini, Luisa; Fracasso, Claudia; Caccia, Silvio; Salmona, Mario; Brindisi, Margherita; Joshi, Bhupendra P.; Tripaldi, Pierangela; Giorgi, Gianluca; Taglialatela-Scafati, Orazio; Novellino, Ettore; Fiorini, Isabella; Campiani, Giuseppe; Butini, Stefania","Pyrroloquinoxaline hydrazones as fluorescent probes for amyloid fibrils.","Organic & biomolecular chemistry","2011","9","14","5137","5148","10.1039/c1ob05288h","","","0.71073","MoKα","","0.1469","0.0932","","","0.218","0.244","","","","","","1.09","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151929","6.352","0.003","7.033","0.003","10.437","0.004","83.301","0.007","77.06","0.007","77.613","0.007","442.7","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","","Nair, Vijay; Sinu, C. R.; Rejithamol, R.; Seetha Lakshmi, K. C.; Suresh, Eringathodi","A novel NHC-catalyzed transformation of 2H-chromene-3-carboxaldehydes to 3-methyl-2H-chromen-2-ones.","Organic & biomolecular chemistry","2011","9","15","5511","5514","10.1039/c1ob05325f","","","0.71073","MoKα","","0.0663","0.0602","","","0.1584","0.1636","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151930","7.3206","0.001","19.054","0.003","8.7032","0.0012","90","","99.593","0.002","90","","1197","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H5 Cl3 N4 -","- C11 H5 Cl3 N4 -","- C44 H20 Cl12 N16 -","4","1","","Niu, Hong-Ying; Xia, Chao; Qu, Gui-Rong; Zhang, Qian; Jiang, Yi; Mao, Run-Ze; Li, De-Yang; Guo, Hai-Ming","CuBr Catalyzed C-N cross coupling reaction of purines and diaryliodonium salts to 9-arylpurines.","Organic & biomolecular chemistry","2011","9","14","5039","5042","10.1039/c1ob05333g","","","0.71073","MoKα","","0.0526","0.0458","","","0.1353","0.1412","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151931","7.4524","0.001","19.81","0.003","11.805","0.0016","90","","90.816","0.003","90","","1742.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F N2 -","- C23 H17 F N2 -","- C92 H68 F4 N8 -","4","1","","Chen, Zixian; Zhu, Jiangtao; Xie, Haibo; Li, Shan; Wu, Yongming; Gong, Yuefa","Selective synthesis of poly-substituted fluorine-containing pyridines and dihydropyrimidines via cascade C-F bond cleavage protocol.","Organic & biomolecular chemistry","2011","9","16","5682","5691","10.1039/c1ob05371j","","","0.71073","MoKα","","0.1051","0.0472","","","0.088","0.1012","","","","","","0.802","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151932","23.699","0.002","10.1868","0.0009","17.9095","0.0017","90","","123.02","0.001","90","","3625.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F2 N2 -","- C23 H18 F2 N2 -","- C184 H144 F16 N16 -","8","1","","Chen, Zixian; Zhu, Jiangtao; Xie, Haibo; Li, Shan; Wu, Yongming; Gong, Yuefa","Selective synthesis of poly-substituted fluorine-containing pyridines and dihydropyrimidines via cascade C-F bond cleavage protocol.","Organic & biomolecular chemistry","2011","9","16","5682","5691","10.1039/c1ob05371j","","","0.71073","MoKα","","0.0683","0.0559","","","0.1447","0.1527","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151933","19.404","0.004","8.0536","0.0016","11.589","0.002","90","","102.32","0.03","90","","1769.3","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Jiang, Huanfeng; Ji, Xiaochen; Li, Yibiao; Chen, Zhengwang; Wang, Azhong","Palladium-assisted multicomponent cyclization of aromatic aldehydes, arylamines and terminal olefins under molecular oxygen: an assembly of 1,4-dihydropyridines.","Organic & biomolecular chemistry","2011","9","15","5358","5361","10.1039/c1ob05440f","","","0.71073","MoKα","","0.1056","0.0401","","","0.0815","0.1257","","","","","","1.132","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151934","13.657","0.003","8.1149","0.0016","13.751","0.003","90","","94.69","0.03","90","","1518.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N3 -","- C19 H13 N3 -","- C76 H52 N12 -","4","1","","Jiang, Huanfeng; Ji, Xiaochen; Li, Yibiao; Chen, Zhengwang; Wang, Azhong","Palladium-assisted multicomponent cyclization of aromatic aldehydes, arylamines and terminal olefins under molecular oxygen: an assembly of 1,4-dihydropyridines.","Organic & biomolecular chemistry","2011","9","15","5358","5361","10.1039/c1ob05440f","","","0.71073","MoKα","","0.0633","0.0429","","","0.1039","0.1265","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151935","5.935","0.003","23.843","0.01","11.898","0.005","90","","93.864","0.005","90","","1679.8","1.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F3 O3 -","- C18 H19 F3 O3 -","- C72 H76 F12 O12 -","4","1","","Wang, Tong; Ye, Song","Phosphine-catalyzed [3 + 2] cycloaddition of allenoates with trifluoromethylketones: synthesis of dihydrofurans and tetrahydrofurans.","Organic & biomolecular chemistry","2011","9","14","5260","5265","10.1039/c1ob05444a","","","0.71073","MoKα","","0.0887","0.0811","","","0.1772","0.1821","","","","","","1.246","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151936","10.396","0.002","10.88","0.002","19.224","0.004","90","","90","","90","","2174.4","0.7","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","2","","Iqbal, Mudassar; Black, Richard J. G.; Winn, Joby; Reeder, Andrew T.; Blake, Alexander J.; Clarke, Paul A.","Studies on transannulation reactions across a nine-membered ring: the synthesis of natural product-like structures.","Organic & biomolecular chemistry","2011","9","14","5062","5078","10.1039/c1ob05448a","","","0.71073","MoKα","","0.0466","0.0398","","","0.0871","0.0896","","","","","","0.99","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151937","24.17","0.004","7.6936","0.0012","12.38","0.002","90","","112.922","0.003","90","","2120.3","0.6","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","2","","Iqbal, Mudassar; Black, Richard J. G.; Winn, Joby; Reeder, Andrew T.; Blake, Alexander J.; Clarke, Paul A.","Studies on transannulation reactions across a nine-membered ring: the synthesis of natural product-like structures.","Organic & biomolecular chemistry","2011","9","14","5062","5078","10.1039/c1ob05448a","","","0.71073","MoKα","","0.0637","0.0487","","","0.114","0.121","","","","","","0.96","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151938","11.6786","0.0003","14.5262","0.0004","8.7114","0.0002","90","","103.82","0.001","90","","1435.07","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 1-(3-(1-napththyl)-3-oxopropanoyl)cyclopropanecarboxylate","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Rahn, Thomas; Bendrath, Franziska; Hein, Martin; Baumann, Wolfgang; Jiao, Haijun; Börner, Armin; Villinger, Alexander; Langer, Peter","Synthesis and characterization of bis-cyclopropanated 1,3,5-tricarbonyl compounds. A combined synthetic, spectroscopic and theoretical study.","Organic & biomolecular chemistry","2011","9","14","5172","5184","10.1039/c1ob05455d","","","0.71073","MoKα","","0.0509","0.0434","","","0.1267","0.1322","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151939","9.4464","0.0003","8.3079","0.0003","19.3443","0.0007","90","","94.272","0.002","90","","1513.92","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 1-(1-(4-methoxybenzoyl)cyclopropanecarbonyl)cyclopropanecarboxylate","","- C17 H18 O5 -","- C17 H18 O5 -","- C68 H72 O20 -","4","1","","Rahn, Thomas; Bendrath, Franziska; Hein, Martin; Baumann, Wolfgang; Jiao, Haijun; Börner, Armin; Villinger, Alexander; Langer, Peter","Synthesis and characterization of bis-cyclopropanated 1,3,5-tricarbonyl compounds. A combined synthetic, spectroscopic and theoretical study.","Organic & biomolecular chemistry","2011","9","14","5172","5184","10.1039/c1ob05455d","","","0.71073","MoKα","","0.056","0.0416","","","0.1063","0.1133","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151940","7.8373","0.0007","8.6462","0.0008","13.3583","0.0012","90","","94.152","0.002","90","","902.82","0.14","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 S -","- C19 H22 O5 S -","- C38 H44 O10 S2 -","2","1","","Ren, Qiao; Gao, Yaojun; Wang, Jian","Chiral indane skeleton based thiourea catalyzed highly stereoselective cascade Michael-enolation-cyclization reaction.","Organic & biomolecular chemistry","2011","9","14","5297","5302","10.1039/c1ob05477e","","","0.71073","MoKα","","0.0447","0.0428","","","0.1088","0.1102","","","","","","1.076","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151941","11.543","0.004","19.853","0.007","12.183","0.005","90","","97.935","0.004","90","","2765.2","1.8","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C56 H34 N6 O2 -","- C56 H34 N6 O2 -","- C112 H68 N12 O4 -","2","0.5","","Hu, Shu-Zhen; Chen, Chuan-Feng","Hg(2+) recognition by triptycene-derived heteracalixarenes: selectivity tuned by bridging heteroatoms and macrocyclic cavity.","Organic & biomolecular chemistry","2011","9","16","5838","5844","10.1039/c1ob05515a","","","0.71073","MoKα","","0.1157","0.0948","","","0.2137","0.2254","","","","","","1.117","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151942","7.128","0.0004","7.3609","0.0004","10.9238","0.0006","90.492","0.003","98.609","0.003","112.463","0.003","522.34","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Methyl 5,6-dibromo-1H-indole-3-carboxylate","Methyl 5,6-dibromo-1H-indole-3-carboxylate","","- C10 H7 Br2 N O2 -","- C10 H7 Br2 N O2 -","- C20 H14 Br4 N2 O4 -","2","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","0.71073","MoKα","","0.0358","0.0276","","","0.0559","0.0598","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151943","7.0596","0.0003","10.693","0.0004","11.4729","0.0004","96.062","0.002","94.194","0.002","106.037","0.002","822.95","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","1-tert-Butyl-3-methyl 5,6-dibromo-1H-indole-1,3-dicarboxylate","1-tert-Butyl-3-methyl 5,6-dibromo-1H-indole-1,3-dicarboxylate","","- C15 H15 Br2 N O4 -","- C15 H15 Br2 N O4 -","- C30 H30 Br4 N2 O8 -","2","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","0.71073","MoKα","","0.0585","0.0387","","","0.0701","0.0763","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151944","11.0874","0.0006","7.5403","0.0004","18.872","0.001","90","","90","","90","","1577.74","0.15","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5,6-Dibromo-1H-indole","5,6-Dibromo-1H-indole","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C64 H40 Br16 N8 -","8","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","1.54184","CuKα","","0.0281","0.0279","","","0.0777","0.0778","","","","","","1.197","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151945","8.8688","0.0004","6.0886","0.0003","16.8852","0.0008","90","","91.443","0.003","90","","911.49","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5,6-Tribromo-1H-indole","3,5,6-Tribromo-1H-indole","","- C8 H4 Br3 N -","- C8 H4 Br3 N -","- C32 H16 Br12 N4 -","4","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","1.54184","CuKα","","0.0254","0.0251","","","0.0663","0.0666","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151946","7.6033","0.0004","8.0327","0.0004","9.661","0.0005","68.061","0.003","66.835","0.003","73.873","0.003","497.24","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","3,5,6-Tribromo-N-methyl-1H-indole","3,5,6-Tribromo-N-methyl-1H-indole","","- C9 H6 Br3 N -","- C9 H6 Br3 N -","- C18 H12 Br6 N2 -","2","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","1.54178","CuKα","","0.0236","0.0234","","","0.0619","0.0621","","","","","","1.175","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151947","16.4115","0.0013","8.1684","0.0005","17.6258","0.0013","90","","96.614","0.003","90","","2347.1","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H64 N6 O7 Si2 -","- C46 H64 N6 O7 Si2 -","- C92 H128 N12 O14 Si4 -","2","1","","Sacchetti, Alessandro; Silvani, Alessandra; Gatti, Francesco G.; Lesma, Giordano; Pilati, Tullio; Trucchi, Beatrice","Addition of TMSCN to chiral ketimines derived from isatin. Synthesis of an oxindole-based peptidomimetic and a bioactive spirohydantoin.","Organic & biomolecular chemistry","2011","9","15","5515","5522","10.1039/c1ob05532a","","","0.71073","MoKα","","0.0467","0.0356","","","0.0829","0.0896","","","","","","1.028","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151948","11.18","0.003","9.4995","0.0018","12.049","0.003","90","","111.894","0.005","90","","1187.4","0.5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-(1-(4-chlorophenyl)ethyl)pyrrolidin-2-one","","","- C12 H15 Cl N2 O -","- C12 H15 Cl N2 O -","- C48 H60 Cl4 N8 O4 -","4","1","","Jiang, Ran; Xu, Hai-Yan; Xu, Xiao-Ping; Chu, Xue-Qiang; Ji, Shun-Jun","Direct alkylation of indoles and amines by tert-enamides: facile access to pharmaceutically active 2-oxo-1-pyrrolidine analogues.","Organic & biomolecular chemistry","2011","9","16","5659","5669","10.1039/c1ob05546a","","","0.71075","MoKα","","0.0731","0.0529","","","0.1287","0.1404","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151949","9.0917","0.0008","9.8531","0.0009","29.228","0.002","90","","90","","90","","2618.3","0.4","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 N5 O8 -","- C21 H39 N5 O8 -","- C84 H156 N20 O32 -","4","1","","Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Concurrent display of both α- and β-turns in a model peptide.","Organic & biomolecular chemistry","2011","9","16","5762","5765","10.1039/c1ob05553d","","","0.71073","MoKα","","0.0855","0.0641","","","0.1324","0.1411","","","","","","1.116","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151950","4.7957","0.0014","19.605","0.006","9.913","0.003","90","","100.076","0.004","90","","917.6","0.5","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N4 O4 -","- C18 H24 N4 O4 -","- C36 H48 N8 O8 -","2","1","","Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Concurrent display of both α- and β-turns in a model peptide.","Organic & biomolecular chemistry","2011","9","16","5762","5765","10.1039/c1ob05553d","","","0.71073","MoKα","","0.0537","0.0505","","","0.1348","0.1377","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151951","9.056","0.005","9.842","0.004","29.153","0.017","90","","90","","90","","2598","2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 N5 O8 -","- C21 H39 N5 O8 -","- C84 H156 N20 O32 -","4","1","","Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Concurrent display of both α- and β-turns in a model peptide.","Organic & biomolecular chemistry","2011","9","16","5762","5765","10.1039/c1ob05553d","","","0.71073","MoKα","","0.1032","0.0711","","","0.1383","0.1512","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151952","8.1115","0.0003","5.6573","0.0002","18.0697","0.0007","90","","92.887","0.003","90","","828.15","0.05","120","2","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H14 Cl2 O3 -","- C19 H14 Cl2 O3 -","- C38 H28 Cl4 O6 -","2","1","","Zhang, Qi; Xiao, Xiao; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Highly enantioselective synthesis of γ-substituted butenolides via the vinylogous Mukaiyama-Michael reaction catalyzed by a chiral scandium(iii)-N,N'-dioxide complex.","Organic & biomolecular chemistry","2011","9","16","5748","5754","10.1039/c1ob05558e","","","0.7107","MoKα","","0.0318","0.0273","","","0.0591","0.0602","","","","","","0.914","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151953","9.0593","0.0003","15.3579","0.0005","19.9706","0.0006","90","","90","","90","","2778.55","0.15","100","","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6R)-2,6-anhydro-4-O-[tert-butyl(dimethyl)silyl]-3-deoxy -1-(methoxyamino)-3-(methoxycarbonyl)-5-O-(methoxymethyl) -5-C-methyl-6-pentyl-L-reythro-hex-2-enose","","- C23 H43 N O8 Si -","- C23 H43 N O8 Si -","- C92 H172 N4 O32 Si4 -","4","1","","Kobayashi, Kenichi; Okamoto, Iwao; Morita, Nobuyoshi; Kiyotani, Tamiko; Tamura, Osamu","Synthesis of the proposed structure of phaeosphaeride A.","Organic & biomolecular chemistry","2011","9","16","5825","5832","10.1039/c1ob05612c","","","1.54187","CuKα","","0.0713","0.0569","","","0.1155","0.1255","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151954","9.4142","0.0009","16.609","0.0017","16.8295","0.0017","90","","105.173","0.001","90","","2539.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl2 N2 -","- C30 H28 Cl2 N2 -","- C120 H112 Cl8 N8 -","4","1","","Yang, Yan-Fang; Shu, Xing-Zhong; Wei, Hai-Long; Luo, Jian-Yi; Ali, Shaukat; Liu, Xue-Yuan; Liang, Yong-Min","FeCl(3)-Mediated synthesis of polysubstituted tetrahydroquinolines via domino Mannich/Friedel-Crafts reactions of aldehydes and amines.","Organic & biomolecular chemistry","2011","9","14","5028","5033","10.1039/c1ob05646h","","","0.71073","MoKα","","0.0603","0.04","","","0.0957","0.1067","","","","","","1.035","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151955","11.4767","0.0003","9.9382","0.0003","14.0372","0.0005","90","","92.646","0.003","90","","1599.34","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl3 N5 O Zn -","- C10 H16 Cl3 N5 O Zn -","- C40 H64 Cl12 N20 O4 Zn4 -","4","1","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.7107","MoKα","","0.0418","0.0413","","","0.0904","0.0905","","","","","","1.591","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7151956","8.3518","0.0003","10.0642","0.0005","21.5006","0.001","96.082","0.004","94.259","0.004","112.541","0.004","1646.72","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cl8 N10 Zn3 -","- C20 H28 Cl8 N10 Zn3 -","- C40 H56 Cl16 N20 Zn6 -","2","1","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.7107","MoKα","","0.0223","0.0214","","","0.0695","0.0702","","","","","","1.169","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7151957","7.0591","0.0004","15.6552","0.0007","13.2731","0.0006","90","","98.24","0.005","90","","1451.69","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 Cl2 N5 O2 -","- C9 H21 Cl2 N5 O2 -","- C36 H84 Cl8 N20 O8 -","4","1","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.71073","MoKα","","0.0278","0.0261","","","0.0674","0.0684","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151958","7.6673","0.0004","7.8804","0.0005","13.4349","0.0007","101.599","0.005","91.479","0.004","91.095","0.005","794.67","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 Cl4 Cu N5 -","- C9 H17 Cl4 Cu N5 -","- C18 H34 Cl8 Cu2 N10 -","2","1","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.71073","MoKα","","0.0366","0.0352","","","0.0944","0.0955","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151959","7.8356","0.0004","13.1475","0.0006","15.8482","0.0009","76.546","0.004","84.994","0.004","81.751","0.004","1568.96","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 Cl4 N5 Zn -","- C9 H17 Cl4 N5 Zn -","- C36 H68 Cl16 N20 Zn4 -","4","2","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.71073","MoKα","","0.0432","0.0403","","","0.1079","0.11","","","","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151960","8.5748","0.0006","14.9184","0.001","23.0172","0.0015","90","","90","","90","","2944.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N5 O11 S -","- C26 H33 N5 O11 S -","- C104 H132 N20 O44 S4 -","4","1","","Shen, Fengjuan; Li, Xiaoliu; Zhang, Xiaoyuan; Yin, Qingmei; Qin, Zhanbin; Chen, Hua; Zhang, Jinchao; Ma, Zhaipu","Microwave-assisted synthesis of dinucleoside analogues containing a thiazolidin-4-one linkage via one-pot tandem Staudinger/aza-Wittig/cyclization.","Organic & biomolecular chemistry","2011","9","16","5766","5772","10.1039/c1ob05675a","","","0.71073","MoKα","","0.1144","0.0591","","","0.1498","0.1773","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151961","16.0335","0.0017","9.3932","0.001","15.1","0.0016","90","","109.749","0.002","90","","2140.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br N2 O -","- C25 H27 Br N2 O -","- C100 H108 Br4 N8 O4 -","4","1","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.08","0.0439","","","0.079","0.1093","","","","","","0.905","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151962","8.197","0.002","22.507","0.006","12.208","0.003","90","","101.368","0.004","90","","2208.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br N2 O -","- C25 H27 Br N2 O -","- C100 H108 Br4 N8 O4 -","4","1","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.0461","0.0354","","","0.0782","0.0817","","","","","","1.096","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151963","13.9702","0.0009","9.4045","0.0006","18.4052","0.0012","90","","94.432","0.001","90","","2410.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Br N2 O2 S -","- C27 H27 Br N2 O2 S -","- C108 H108 Br4 N8 O8 S4 -","4","1","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.0533","0.0356","","","0.0772","0.0928","","","","","","0.958","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151964","13.7253","0.0011","10.4969","0.0008","16.7159","0.0013","90","","102.557","0.002","90","","2350.7","0.3","180","2","180","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C50 H62 N4 O9 -","- C50 H62 N4 O9 -","- C100 H124 N8 O18 -","2","0.5","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.1423","0.0661","","","0.1864","0.2116","","","","","","0.845","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151965","9.903","0.0013","10.8311","0.0014","19.231","0.002","90","","90","","90","","2062.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N3 O4 -","- C24 H23 N3 O4 -","- C96 H92 N12 O16 -","4","1","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.0554","0.0445","","","0.0786","0.0817","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151966","11.3829","0.0013","12.3833","0.0015","13.4311","0.0016","90","","90","","90","","1893.2","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Chen, Jia; Chen, Jian-Jun; Yao, Xiaojun; Gao, Kun","Kopsihainanines A and B, two unusual alkaloids from Kopsia hainanensis.","Organic & biomolecular chemistry","2011","9","15","5334","5336","10.1039/c1ob05724c","","","0.71073","MoKα","","0.0786","0.0447","","","0.0795","0.0898","","","","","","1.101","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151967","9.84534","0.00019","13.7667","0.0003","35.643","0.0007","90","","90","","90","","4830.98","0.17","203.1","","203","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H69 N5 O6 Si4 -","- C37 H69 N5 O6 Si4 -","- C148 H276 N20 O24 Si16 -","4","1","","Meng, Xiangtai; Moriuchi, Toshiyuki; Tohnai, Norimitsu; Miyata, Mikiji; Kawahata, Masatoshi; Yamaguchi, Kentaro; Hirao, Toshikazu","Synthesis and assembling properties of bioorganometallic cyclometalated Au(iii) alkynyls bearing guanosine moieties.","Organic & biomolecular chemistry","2011","9","16","5633","5636","10.1039/c1ob05842h","","","1.54187","CuKα","","","0.0718","","","","0.1962","","","","","","0.913","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151968","46.284","0.003","12.2793","0.0007","11.1201","0.0007","90","","90","","90","","6319.9","0.7","100","","100","","","","","","","","Synthesized by the authors. See text","6","P b c n","-P 2n 2ab","60","","","","- C32 H42 N O2 P Si -","- C32 H42 N O2 P Si -","- C256 H336 N8 O16 P8 Si8 -","8","1","","Oberg, Elisabet; Geng, Xue-Li; Santoni, Marie-Pierre; Ott, Sascha","C,C-Diacetylenic phosphaalkenes in palladium-catalyzed cross-coupling reactions.","Organic & biomolecular chemistry","2011","9","18","6246","6255","10.1039/c1ob05705g","","","0.71073","MoKα","","0.1212","0.0732","","","0.2194","0.2376","","","","","","1.058","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151969","11.502","0.002","11.404","0.002","23.465","0.005","90","","93.2","0.03","90","","3073.1","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 Cl2 Si4 -","- C22 H38 Cl2 Si4 -","- C88 H152 Cl8 Si16 -","4","1","","Oberg, Elisabet; Geng, Xue-Li; Santoni, Marie-Pierre; Ott, Sascha","C,C-Diacetylenic phosphaalkenes in palladium-catalyzed cross-coupling reactions.","Organic & biomolecular chemistry","2011","9","18","6246","6255","10.1039/c1ob05705g","","","0.71073","MoKα","","0.1575","0.1168","","","0.3644","0.3912","","","","","","1.153","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151970","18.725","0.001","10.407","0.0009","12.115","0.0014","90","","122.302","0.001","90","","1995.5","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Fused Butenolides","","","- C10 H12 O4 -","- C10 H12 O4 -","- C80 H96 O32 -","8","1","","Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P.","Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides.","Organic & biomolecular chemistry","2011","9","18","6312","6322","10.1039/c1ob05709j","","","0.71073","MoKα","","0.0539","0.0483","","","0.1156","0.1197","","","","","","1.071","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151971","6.1283","0.0007","8.0991","0.001","22.952","0.003","90","","92.622","0.002","90","","1138","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Fused Butenolides","","","- C11 H16 O4 -","- C11 H16 O4 -","- C44 H64 O16 -","4","1","","Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P.","Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides.","Organic & biomolecular chemistry","2011","9","18","6312","6322","10.1039/c1ob05709j","","","0.71073","MoKα","","0.0906","0.0617","","","0.1502","0.1649","","","","","","1.092","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151972","5.0397","0.0003","14.3513","0.001","10.316","0.0007","90","","98.118","0.001","90","","738.64","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Butenolides","","","- C7 H8 O4 -","- C7 H8 O4 -","- C28 H32 O16 -","4","1","","Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P.","Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides.","Organic & biomolecular chemistry","2011","9","18","6312","6322","10.1039/c1ob05709j","","","0.71073","MoKα","","0.0678","0.0658","","","0.1684","0.1702","","","","","","1.11","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151973","10.4595","0.001","8.2649","0.0008","13.4821","0.0013","90","","110.602","0.002","90","","1090.95","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","chromene","","","- C11 H16 O4 -","- C11 H16 O4 -","- C44 H64 O16 -","4","1","","Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P.","Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides.","Organic & biomolecular chemistry","2011","9","18","6312","6322","10.1039/c1ob05709j","","","0.71073","MoKα","","0.0495","0.0395","","","0.0998","0.1071","","","","","","1.047","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151974","16.1331","0.0014","37.634","0.003","17.1581","0.0015","90","","98.715","0.002","90","","10297.3","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87 H123 N7 O9 -","- C87 H123 N7 O9 -","- C348 H492 N28 O36 -","4","1","","Cornut, Damien; Marrot, Jérôme; Wouters, Johan; Jabin, Ivan","Acid-base modulation of a versatile heteroditopic calix[6]arene based receptor.","Organic & biomolecular chemistry","2011","9","18","6373","6384","10.1039/c1ob05759f","","","0.71073","MoKα","","0.1499","0.0822","","","0.2253","0.2463","","","","","","1.048","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151975","15.853","0.0013","15.5929","0.0015","25.462","0.002","90","","115.951","0.006","90","","5659.4","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 N4 O2 -","- C72 H70 N4 O2 -","- C288 H280 N16 O8 -","4","1","","Keller, Stephan; Yi, Chenyi; Li, Chen; Liu, Shi-Xia; Blum, Carmen; Frei, Gabriela; Sereda, Olha; Neels, Antonia; Wandlowski, Thomas; Decurtins, Silvio","Synthesis, structures, redox and photophysical properties of benzodifuran-functionalised pyrene and anthracene fluorophores.","Organic & biomolecular chemistry","2011","9","18","6410","6416","10.1039/c1ob05778b","","","0.71073","MoKα","","0.3205","0.0669","","","0.1052","0.1745","","","","","","0.668","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151976","13.7947","0.0009","9.0999","0.0006","22.2042","0.0016","90","","105.631","0.005","90","","2684.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 N4 O2 -","- C68 H70 N4 O2 -","- C136 H140 N8 O4 -","2","0.5","","Keller, Stephan; Yi, Chenyi; Li, Chen; Liu, Shi-Xia; Blum, Carmen; Frei, Gabriela; Sereda, Olha; Neels, Antonia; Wandlowski, Thomas; Decurtins, Silvio","Synthesis, structures, redox and photophysical properties of benzodifuran-functionalised pyrene and anthracene fluorophores.","Organic & biomolecular chemistry","2011","9","18","6410","6416","10.1039/c1ob05778b","","","0.71073","MoKα","","0.1494","0.0677","","","0.147","0.1723","","","","","","0.86","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151977","12.0856","0.001","17.2822","0.0016","16.4631","0.0016","90","","129.164","0.006","90","","2666.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 N4 O2 -","- C68 H70 N4 O2 -","- C136 H140 N8 O4 -","2","0.5","","Keller, Stephan; Yi, Chenyi; Li, Chen; Liu, Shi-Xia; Blum, Carmen; Frei, Gabriela; Sereda, Olha; Neels, Antonia; Wandlowski, Thomas; Decurtins, Silvio","Synthesis, structures, redox and photophysical properties of benzodifuran-functionalised pyrene and anthracene fluorophores.","Organic & biomolecular chemistry","2011","9","18","6410","6416","10.1039/c1ob05778b","","","0.71073","MoKα","","0.1715","0.0527","","","0.0803","0.1006","","","","","","0.686","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151978","14.5009","0.0018","16.212","0.002","14.5134","0.0018","97.198","0.002","99.991","0.002","86.541","0.002","3331.1","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","C60C6H4Cl5Cl_toluene","C60C6H4Cl5Cl_toluene","","- C97 H28 Cl6 -","- C97 H28 Cl6 -","- C194 H56 Cl12 -","2","1","","Hashiguchi, Masahiko; Watanabe, Kazuhiro; Matsuo, Yutaka","Facile fullerene modification: FeCl(3)-mediated quantitative conversion of C(60) to polyarylated fullerenes containing pentaaryl(chloro)[60]fullerenes.","Organic & biomolecular chemistry","2011","9","18","6417","6421","10.1039/c1ob05895a","","","0.71073","MoKα","","0.1994","0.1051","","","0.2953","0.3703","","","","","","1.102","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151979","20.3125","0.0012","20.3125","0.0012","15.9673","0.0011","90","","90","","120","","5705.4","0.6","291","2","291","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C25 H24 Br N O3 -","- C25 H24 Br N O3 -","- C225 H216 Br9 N9 O27 -","9","1","","Ni, Cheng-Yan; Kan, Sha-Sha; Liu, Quan-Zhong; Kang, Tai-Ran","Diastereoselective and enantioselective capture of chiral zinc enolate using nitroolefins: a rapid access to chiral γ-nitro carbonyl compounds.","Organic & biomolecular chemistry","2011","9","18","6211","6214","10.1039/c1ob05903c","","","1.54184","CuKα","","0.1031","0.0842","","","0.1875","0.198","","","","","","1.082","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151980","7.4163","0.0003","14.0432","0.0006","25.9274","0.001","90","","90","","90","","2700.3","0.19","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 N O2 S -","- C32 H33 N O2 S -","- C128 H132 N4 O8 S4 -","4","1","","Ni, Cheng-Yan; Kan, Sha-Sha; Liu, Quan-Zhong; Kang, Tai-Ran","Diastereoselective and enantioselective capture of chiral zinc enolate using nitroolefins: a rapid access to chiral γ-nitro carbonyl compounds.","Organic & biomolecular chemistry","2011","9","18","6211","6214","10.1039/c1ob05903c","","","0.71073","MoKα","","0.089","0.0517","","","0.0886","0.1012","","","","","","1.012","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151981","19.4658","0.0004","7.8017","0.0001","15.153","0.0003","90","","110.941","0.001","90","","2149.23","0.07","293","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","6-phenyl-4H-pyrido(1,2-a)pyrimidin-4-one","6-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","1","","Molnár, Annamária; Kapros, Anita; Párkányi, László; Mucsi, Zoltán; Vlád, Gábor; Hermecz, István","Suzuki-Miyaura cross-coupling reactions of halo derivatives of 4H-pyrido[1,2-a]pyrimidin-4-ones.","Organic & biomolecular chemistry","2011","9","19","6559","6565","10.1039/c1ob05505d","","","1.54187","CuKα","","0.0438","0.0342","","","0.0874","0.0968","","","","","","1.097","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151982","16.3465","0.0011","23.3116","0.0018","17.2917","0.0013","90","","116.247","0.007","90","","5909.9","0.8","293","1","293","1","","","","","","","","5","C 1 c 1","C -2yc","9","Cone-5d","","","- C63 H66 F9 N3 O9 -","- C63 H66 F9 N3 O9 -","- C252 H264 F36 N12 O36 -","4","1","","Ni, Xin-Long; Rahman, Shofuir; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Novel ion-pair receptors based on hexahomotrioxacalix[3]arene derivatives.","Organic & biomolecular chemistry","2011","9","19","6535","6541","10.1039/c1ob05564j","","","0.71073","Mo-Kα","","0.0848","0.0563","","","0.1292","0.1402","","","","","","1.042","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151983","11.411","0.004","15.482","0.005","16.504","0.007","92.63","0.03","97.69","0.03","106.65","0.03","2757.4","1.8","293","2","140","1","","","","","","","","5","P -1","-P 1","2","Cone-5c","","","- C60 H66 F3 N3 O9 -","- C60 H66 F3 N3 O9 -","- C120 H132 F6 N6 O18 -","2","1","","Ni, Xin-Long; Rahman, Shofuir; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Novel ion-pair receptors based on hexahomotrioxacalix[3]arene derivatives.","Organic & biomolecular chemistry","2011","9","19","6535","6541","10.1039/c1ob05564j","","","0.71073","Mo-Kα","","0.3008","0.2672","","","0.5722","0.5898","","","","","","2.321","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151984","11.2799","0.0006","15.1788","0.0009","21.4815","0.0013","90","","90","","90","","3678","0.4","140","1","140","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 41","","","- C33 H42 Cl2 O17 -","- C33 H42 Cl2 O17 -","- C132 H168 Cl8 O68 -","4","1","","Nepogodiev, Sergey A.; Fais, Margherita; Hughes, David L.; Field, Robert A.","Synthesis of apiose-containing oligosaccharide fragments of the plant cell wall: fragments of rhamnogalacturonan-II side chains A and B, and apiogalacturonan.","Organic & biomolecular chemistry","2011","9","19","6670","6684","10.1039/c1ob05587a","","","0.71073","Mo-Kα","","0.0486","0.0372","","","0.0894","0.0925","","","","","","1.048","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151985","28.965","0.014","36.811","0.018","15.395","0.016","90","","90","","90","","16415","2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C159 H215 N8 O50.5 Rh4 -","- C158 H170 N8 O50.5 Rh4 -","- C632 H680 N32 O202 Rh16 -","4","1","","Mattiza, Jens T.; Fohrer, Joerg G. G.; Duddeck, Helmut; Gardiner, Michael G.; Ghanem, Ashraf","Optimizing dirhodium(ii) tetrakiscarboxylates as chiral NMR auxiliaries.","Organic & biomolecular chemistry","2011","9","19","6542","6550","10.1039/c1ob05665d","","","0.710673","Synchrotron","","0.0488","0.0418","","","0.1014","0.1054","","","","","","1.079","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151986","9.823","0.002","11.349","0.002","15.262","0.003","90","","97.43","0.03","90","","1687.1","0.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl2 N O3 -","- C18 H15 Cl2 N O3 -","- C72 H60 Cl8 N4 O12 -","4","1","","Xie, Peizhong; Huang, You; Lai, Wenqing; Meng, Xiangtai; Chen, Ruyu","Bifunctional phosphine-catalyzed cross-Rauhut-Currier/Michael/aldol condensation triple domino reaction: synthesis of functionalized cyclohexenes.","Organic & biomolecular chemistry","2011","9","19","6707","6714","10.1039/c1ob05693j","","","1.54187","CuKα","","0.0596","0.059","","","0.1533","0.1539","","","","","","1.093","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151987","6.9697","0.0014","9.891","0.002","13.577","0.003","91.1","0.03","103.89","0.03","109.35","0.03","852.3","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cl2 N O3 -","- C18 H15 Cl2 N O3 -","- C36 H30 Cl4 N2 O6 -","2","1","","Xie, Peizhong; Huang, You; Lai, Wenqing; Meng, Xiangtai; Chen, Ruyu","Bifunctional phosphine-catalyzed cross-Rauhut-Currier/Michael/aldol condensation triple domino reaction: synthesis of functionalized cyclohexenes.","Organic & biomolecular chemistry","2011","9","19","6707","6714","10.1039/c1ob05693j","","","1.54187","CuKα","","0.0456","0.0448","","","0.1248","0.1259","","","","","","1.054","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151988","9.7445","0.0002","9.7445","0.0002","37.3937","0.0005","90","","90","","120","","3075.02","0.1","150","","150","","","","","","","","synthesis as described","4","P 65","P 65","170","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C138 H132 N12 O24 -","6","1","","Cowley, Andrew R.; Hill, Thomas J.; Kocis, Petr; Moloney, Mark G.; Stevenson, Robert D.; Thompson, Amber L.","Spirocyclic systems derived from pyroglutamic acid.","Organic & biomolecular chemistry","2011","9","20","7042","7056","10.1039/c1ob05708a","","","0.71073","MoKα","","","0.0474","","","","0.0555","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151989","10.5991","0.0004","6.3352","0.0002","11.6093","0.0005","90","","93.8504","0.0016","90","","777.77","0.05","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C34 H36 N4 O8 -","2","1","","Cowley, Andrew R.; Hill, Thomas J.; Kocis, Petr; Moloney, Mark G.; Stevenson, Robert D.; Thompson, Amber L.","Spirocyclic systems derived from pyroglutamic acid.","Organic & biomolecular chemistry","2011","9","20","7042","7056","10.1039/c1ob05708a","","","0.71073","MoKα","","","0.0313","","","","0.035","","","","","","1.0537","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151990","10.34","0.003","9.733","0.003","18.073","0.005","90","","106.331","0.005","90","","1745.5","0.9","296","2","296","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","2","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.0431","0.0341","","","0.0804","0.0896","","","","","","0.985","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151991","13.3376","0.0019","14.03","0.002","17.956","0.003","88.064","0.005","70.67","0.004","73.874","0.005","3039.6","0.8","100","2","100","2","","","101.325","","","","synthesis","4","P 1","P 1","1","alpha gamma mixed peptide","(S,E)-ethyl 4-((S)-2-(tert-butoxycarbonylamino)propanamido) -5-methylhex-2-enoate Chemical Formula: C17H30N2O5","","- C17 H30 N2 O5 -","- C17 H30 N2 O5 -","- C102 H180 N12 O30 -","6","6","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1817","0.0881","","","0.1946","0.2449","","","","","","0.99","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151992","10.669","0.002","9.092","0.002","15.882","0.004","90","","90.923","0.005","90","","1540.4","0.6","296","2","296","2","","","101.325","","","","Synthesis","4","P 1 21/c 1","-P 2ybc","14","Boc-dgAib-OEt","(E)-ethyl 4-(tert-butoxycarbonylamino)-4-methylpent-2-enoate","","- C13 H24 N O4 -","- C13 H23 N O4 -","- C52 H92 N4 O16 -","4","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1649","0.0651","","","0.1879","0.2427","","","","","","0.986","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151993","10.153","0.003","10.273","0.003","16.191","0.005","90","","90","","90","","1688.7","0.9","200","2","200","2","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Boc-dgI-OEt","(4S,5S,E)-ethyl 4-(tert-butoxycarbonylamino)-5-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.0455","0.0378","","","0.0912","0.0961","","","","","","1.023","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151994","5.053","0.002","9.812","0.005","13.498","0.006","73.64","0.009","84.653","0.009","78.566","0.009","628.9","0.5","100","2","100","2","","","101.325","","","","Synthesis","4","P 1","P 1","1","","","","- C23 H40 N2 O5 -","- C23 H40 N2 O5 -","- C23 H40 N2 O5 -","1","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1066","0.0663","","","0.1509","0.1751","","","","","","1.036","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151995","9.978","0.004","10.083","0.003","16.904","0.006","90","","90","","90","","1700.7","1","200","2","200","2","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Boc-dgV-OEt","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C56 H100 N4 O16 -","4","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1149","0.0581","","","0.1589","0.195","","","","","","1.003","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151996","27.199","0.003","6.8079","0.0008","16.539","0.002","90","","107.39","0.002","90","","2922.5","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C168 H112 N16 -","8","1","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Orenes, Raul-Angel; Vidal, Angel","Unprecedented intramolecular [3 + 2] cycloadditions of azido-ketenimines and azido-carbodiimides. Synthesis of indolo[1,2-a]quinazolines and tetrazolo[5,1-b]quinazolines.","Organic & biomolecular chemistry","2011","9","19","6741","6749","10.1039/c1ob05745f","","","0.71073","MoKα","","0.0602","0.054","","","0.1222","0.1259","","","","","","1.143","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151997","19.4794","0.0008","12.5963","0.0005","13.921","0.0006","90","","98.538","0.002","90","","3377.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 Cl2 N4 O2 -","- C43 H34 Cl2 N4 O2 -","- C172 H136 Cl8 N16 O8 -","4","0.5","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Orenes, Raul-Angel; Vidal, Angel","Unprecedented intramolecular [3 + 2] cycloadditions of azido-ketenimines and azido-carbodiimides. Synthesis of indolo[1,2-a]quinazolines and tetrazolo[5,1-b]quinazolines.","Organic & biomolecular chemistry","2011","9","19","6741","6749","10.1039/c1ob05745f","","","0.71073","MoKα","","0.0589","0.0542","","","0.1384","0.1424","","","","","","1.017","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151998","11.7115","0.0011","14.9304","0.0015","11.9095","0.0012","90","","118.098","0.001","90","","1837","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C84 H80 N8 O24 -","4","1","","Dou, Guolan; Shi, Daqing","One pot synthesis of cis-bispyrimidodiazepinone derivatives via low-valent titanium reagent (TiCl(4)/Sm).","Organic & biomolecular chemistry","2011","9","20","7065","7070","10.1039/c1ob05791j","","","0.71073","MoKα","","0.1054","0.0459","","","0.083","0.1058","","","","","","1.122","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151999","7.779","0.0016","8.9198","0.0018","12.746","0.003","99.79","0.03","105.99","0.03","107.38","0.03","780.1","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 O6 P -","- C15 H19 O6 P -","- C30 H38 O12 P2 -","2","1","","Yu, Jipan; Zhao, Xiaona; Miao, Zhiwei; Chen, Ruyu","Highly diastereoselective vinylogous Mukaiyama aldol reaction of α-keto phosphonates with 2-(trimethylsilyloxy)furan catalyzed by Cu(OTf)(2).","Organic & biomolecular chemistry","2011","9","19","6721","6726","10.1039/c1ob05822c","","","0.71073","MoKα","","0.0462","0.0378","","","0.1005","0.1056","","","","","","1.028","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7152000","9.859","0.002","17.767","0.004","12.361","0.003","90","","91.25","0.03","90","","2164.7","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H44 N4 Ni O6 S -","- C43.5 H43.5 N4 Ni O6.25 S -","- C87 H87 N8 Ni2 O12.5 S2 -","2","1","","Song, Guowei; Jin, Meihong; Li, Zhenjiang; Ouyang, Pingkai","Asymmetric synthesis of α,β-diamino acid derivates via Mannich-type reactions of a chiral Ni(ii) complex of glycine with N-tosyl imines.","Organic & biomolecular chemistry","2011","9","20","7144","7150","10.1039/c1ob05848g","","","0.71073","MoKα","","0.1003","0.0678","","","0.1661","0.1919","","","","","","1.065","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152001","6.09459","0.00014","7.56496","0.00017","33.7307","0.0008","84.8926","0.0019","87.4794","0.0019","88.9974","0.0018","1547.35","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 F17 Ge -","- C31.997 H23 F16.991 Ge -","- C63.994 H46 F33.982 Ge2 -","2","1","","Carr, James L.; Sejberg, Jimmy J. P.; Saab, Fabienne; Holdom, Mary D.; Davies, Anna M.; White, Andrew J. P.; Leatherbarrow, Robin J.; Beavil, Andrew J.; Sutton, Brian J.; Lindell, Stephen D.; Spivey, Alan C.","Synthesis of the C19 methyl ether of aspercyclide A via germyl-Stille macrocyclisation and ELISA evaluation of both enantiomers following optical resolution.","Organic & biomolecular chemistry","2011","9","19","6814","6824","10.1039/c1ob05862b","","","1.54184","CuKα","","0.0609","0.0517","","","0.1368","0.1415","","","","","","1.047","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152002","5.8122","0.0004","17.1465","0.0014","36.266","0.003","90","","93.295","0.001","90","","3608.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 O4 S6 -","- C18.6305 H19.6305 O2 S2.8695 -","- C149.044 H157.044 O16 S22.956 -","8","2","","Das, Soumyajit; Bedi, Anjan; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.","Cyclopenta[c]selenophene based cooligomers and their polymers: comparative study with thiophene analogues.","Organic & biomolecular chemistry","2011","9","20","6963","6972","10.1039/c1ob05866e","","","0.71073","MoKα","","0.1638","0.1515","","","0.4817","0.5028","","","","","","2.401","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152003","5.7974","0.0007","17.042","0.002","41.927","0.005","90","","90.92","0.005","90","","4141.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Br2 O2 S2 Se -","- C19 H18 Br2 O2 S2 Se -","- C152 H144 Br16 O16 S16 Se8 -","8","2","","Das, Soumyajit; Bedi, Anjan; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.","Cyclopenta[c]selenophene based cooligomers and their polymers: comparative study with thiophene analogues.","Organic & biomolecular chemistry","2011","9","20","6963","6972","10.1039/c1ob05866e","","","0.71073","MoKα","","0.0983","0.0467","","","0.124","0.1575","","","","","","0.937","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152004","16.814","0.004","13.493","0.003","8.7591","0.0018","90","","100.732","0.005","90","","1952.4","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O5 -","- C25 H18 N2 O5 -","- C100 H72 N8 O20 -","4","1","","Kudale, Amit A.; Miller, David O.; Dawe, Louise N.; Bodwell, Graham J.","Intramolecular Povarov reactions involving 3-aminocoumarins.","Organic & biomolecular chemistry","2011","9","20","7196","7206","10.1039/c1ob05867c","","","0.7107","MoKα","","0.1154","0.0992","","","0.1784","0.1859","","","","","","1.305","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152005","16.4686","0.0019","16.933","0.0019","36.391","0.004","90","","90","","90","","10148","2","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C51 H62 Br2 O10 -","- C51 H62 Br2 O10 -","- C408 H496 Br16 O80 -","8","1","","Liu, Luzhi; Cao, Derong; Jin, Yi; Tao, Hongqi; Kou, Yuhui; Meier, Herbert","Efficient synthesis of copillar[5]arenes and their host-guest properties with dibromoalkanes.","Organic & biomolecular chemistry","2011","9","20","7007","7010","10.1039/c1ob05871a","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152006","7.6651","0.0006","13.1131","0.0009","29.874","0.002","90","","90","","90","","3002.7","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H34 N2 O12 -","- C28 H34 N2 O12 -","- C112 H136 N8 O48 -","4","0.5","","Wang, Liang; Xia, Xu-Dong; Guo, Wei; Chen, Jia-Rong; Xiao, Wen-Jing","Palladium-catalyzed C-H acetoxylation of 2-methoxyimino-2-aryl-acetates and acetamides.","Organic & biomolecular chemistry","2011","9","20","6895","6898","10.1039/c1ob05887h","","","0.71073","MoKα","","0.0485","0.0418","","","0.1173","0.1216","","","","","","1.054","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152007","9.636","0.002","9.93","0.002","14.63","0.003","88.48","0.002","85.747","0.002","80.272","0.002","1375.8","0.5","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 N4 -","- C16 H16 N4 -","- C64 H64 N16 -","4","2","","Yu, Xingxin; Yang, Qin; Lou, Honglei; Peng, Yiyuan; Wu, Jie","An efficient approach to pyrazolo[5,1-a]isoquinolin-2-amines via a silver(i)-catalyzed three-component reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, and nitrile.","Organic & biomolecular chemistry","2011","9","20","7033","7037","10.1039/c1ob05917c","","","0.71073","MoKα","","0.0581","0.0507","","","0.1335","0.1436","","","","","","1.071","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152008","8.4105","0.0017","5.6321","0.0011","10.022","0.002","90","","107.78","0.003","90","","452.05","0.16","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","1","","Devi, Rema B.; Henrot, Matthias; De Paolis, Michaël; Maddaluno, Jacques","Domino alkylation/oxa-Michael of 1,3-cyclohexanediones: Steering the C/O-chemoselectivity to reach tetrahydrobenzofuranones.","Organic & biomolecular chemistry","2011","9","19","6509","6512","10.1039/c1ob05923h","","x-ray","0.71073","MoKα","","0.0366","0.0354","","","0.0966","0.098","","","","","","1.061","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152009","24.215","0.004","14.85","0.002","16.053","0.002","90","","124.684","0.003","90","","4746.8","1.2","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 Co N6 O2 -","- C24 H18 Cl2 Co N6 O2 -","- C192 H144 Cl16 Co8 N48 O16 -","8","1","","Das, Sudipta; Guha, Subarna; Banerjee, Arnab; Lohar, Sisir; Sahana, Animesh; Das, Debasis","2-(2-Pyridyl) benzimidazole based Co(ii) complex as an efficient fluorescent probe for trace level determination of aspartic and glutamic acid in aqueous solution: A displacement approach.","Organic & biomolecular chemistry","2011","9","20","7097","7104","10.1039/c1ob05951c","","","0.71073","MoKα","","0.0862","0.0539","","","0.1435","0.1613","","","","","","1.044","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152010","18.004","0.003","39.249","0.006","8.1408","0.0011","90","","90","","90","","5752.6","1.5","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C288 H240 N16 O48 -","16","1","","Genady, Afaf R.; Nakamura, Hiroyuki","Amphiphilic allylation of arylidene-1,3-oxazol-5(4H)-one using bis-π-allylpalladium complexes: an approach to synthesis of cyclohexyl and cyclohexenyl α-amino acids.","Organic & biomolecular chemistry","2011","9","20","7180","7189","10.1039/c1ob05952a","","","0.71073","MoKα","","0.0476","0.0391","","","0.0546","0.0557","","","","","","1.675","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152011","10.6098","0.0013","18.036","0.002","9.5122","0.0012","90","","98.751","0.001","90","","1799","0.4","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Genady, Afaf R.; Nakamura, Hiroyuki","Amphiphilic allylation of arylidene-1,3-oxazol-5(4H)-one using bis-π-allylpalladium complexes: an approach to synthesis of cyclohexyl and cyclohexenyl α-amino acids.","Organic & biomolecular chemistry","2011","9","20","7180","7189","10.1039/c1ob05952a","","","0.71073","MoKα","","0.0495","0.0403","","","0.0985","0.1039","","","","","","1.027","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152012","29.149","0.006","7.5081","0.0015","15.387","0.003","90","","107.3","0.002","90","","3215.2","1.1","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Genady, Afaf R.; Nakamura, Hiroyuki","Amphiphilic allylation of arylidene-1,3-oxazol-5(4H)-one using bis-π-allylpalladium complexes: an approach to synthesis of cyclohexyl and cyclohexenyl α-amino acids.","Organic & biomolecular chemistry","2011","9","20","7180","7189","10.1039/c1ob05952a","","","0.71073","MoKα","","0.0693","0.0448","","","0.0954","0.1059","","","","","","1.03","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152013","5.1207","0.0004","18.0019","0.0011","5.8831","0.0005","90","","109.066","0.008","90","","512.57","0.07","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-tert-butyl (2-oxothietan-3-yl)carbamate","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C16 H26 N2 O6 S2 -","2","1","","Aubry, Sylvain; Sasaki, Kaname; Eloy, Laure; Aubert, Geneviève; Retailleau, Pascal; Cresteil, Thierry; Crich, David","Exploring the potential of the β-thiolactones in bioorganic chemistry.","Organic & biomolecular chemistry","2011","9","20","7134","7143","10.1039/c1ob05967j","","","1.54187","CuKα","","0.0719","0.0539","","","0.126","0.1749","","","","","","1.169","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152014","5.48411","0.00017","8.0007","0.0002","41.2338","0.0012","90","","90.353","0.003","90","","1809.17","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N3 O2 S -","- C17 H25 N3 O2 S -","- C68 H100 N12 O8 S4 -","4","1","","Craig, Donald; Harvey, John W.; O'Brien, Alexander G; White, Andrew J. P.","Claisen rearrangements of equilibrating allylic azides.","Organic & biomolecular chemistry","2011","9","20","7057","7061","10.1039/c1ob05972f","","","0.71073","MoKα","","0.1493","0.1083","","","0.1913","0.2018","","","","","","1.212","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152015","13.7746","0.0009","11.7176","0.0008","19.9018","0.0012","90","","127.838","0.004","90","","2536.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.1128","0.0434","","","0.0731","0.0843","","","","","","0.853","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152016","10.4445","0.001","14.899","0.002","16.596","0.002","90","","90","","90","","2582.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.1486","0.0554","","","0.1058","0.1299","","","","","","0.909","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152017","8.3411","0.0013","17.2794","0.0017","12.2343","0.0019","90","","98.713","0.005","90","","1743","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.1036","0.0456","","","0.0945","0.1098","","","","","","0.879","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152018","14.6003","0.0006","17.4066","0.0008","9.8449","0.0003","90","","115.519","0.002","90","","2257.91","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H25 N O5 -","- C26 H25 N O5 -","- C104 H100 N4 O20 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.045","0.0334","","","0.0713","0.0749","","","","","","1.045","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152019","10.9806","0.0006","8.1088","0.0004","26.2218","0.0015","90","","90","","90","","2334.8","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C96 H128 N16 O24 -","8","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.09","0.0412","","","0.0945","0.1257","","","","","","1.009","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152020","7.9089","0.0007","9.6396","0.0009","10.547","0.008","90.566","0.005","97.78","0.005","97.777","0.004","789","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C34 H48 N4 O6 -","2","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.0923","0.0514","","","0.1151","0.129","","","","","","1.06","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152021","10.8021","0.0012","10.5357","0.0007","13.5435","0.0012","90","","124.2","0.006","90","","1274.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Br N2 O3 -","- C12 H15 Br N2 O3 -","- C48 H60 Br4 N8 O12 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.0608","0.0372","","","0.0777","0.084","","","","","","1.012","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152022","11.9261","0.0005","17.9405","0.0014","15.2365","0.0011","90","","96.061","0.004","90","","3241.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C128 H160 N16 O24 -","8","2","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.116","0.0504","","","0.0984","0.1154","","","","","","0.92","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152023","10.0665","0.0017","8.4236","0.0014","12.792","0.002","90","","96.133","0.003","90","","1078.5","0.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N O3 S2 -","- C21 H29 N O3 S2 -","- C42 H58 N2 O6 S4 -","2","1","","Zhang, Hua; Li, Ya; Xu, Wei; Zheng, Wenrui; Zhou, Pei; Sun, Zhihua","Practical and stereoselective synthesis of β-amino sulfones from alkyl phenyl sulfones and N-(tert-butylsulfinyl) aldimines.","Organic & biomolecular chemistry","2011","9","19","6502","6505","10.1039/c1ob05992k","","","0.71073","MoKα","","0.0295","0.028","","","0.0722","0.0735","","","","","","1.045","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152024","9.3107","0.0007","9.3161","0.0007","11.1998","0.0011","92.711","0.004","114.378","0.003","100.866","0.003","860.44","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","5-phenyldihydroazulene","","","- C24 H16 N2 -","- C24 H16 N2 -","- C48 H32 N4 -","2","1","","Skov, Louise; Petersen, Michael Åxman; Broman, Søren Lindbæk; Bond, Andrew D.; Nielsen, Mogens Brøndsted","New synthetic route to substituted dihydroazulene photoswitches.","Organic & biomolecular chemistry","2011","9","19","6498","6501","10.1039/c1ob06059g","","","0.71073","MoKα","","0.0444","0.0349","","","0.0852","0.0907","","","","","","1.032","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152025","8.494","0.002","11.25","0.003","14.974","0.004","90","","93.01","0.004","90","","1428.9","0.6","446","2","446","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-(diphenylphosphoryl)((S)-1-(quinolin-8-ylsulfonyl)pyrrolidin-2-yl)methanol","","- C30 H33 N2 O6 P S -","- C30 H33 N2 O6 P S -","- C60 H66 N4 O12 P2 S2 -","2","1","","Zeng, Zhiping; Luo, Ping; Jiang, Yao; Liu, Yan; Tang, Guo; Xu, Pengxiang; Zhao, Yufen; Blackburn, G. Michael","Chiral phosphoproline-catalyzed asymmetric Michael addition of ketones to nitroolefins: an experimental and theoretical study.","Organic & biomolecular chemistry","2011","9","20","6973","6978","10.1039/c1ob06143g","","","0.71073","MoKα","","0.0522","0.0485","","","0.1243","0.1265","","","","","","1.037","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152026","10.2884","0.0003","13.649","0.0003","18.6062","0.0005","110.437","0.002","95.594","0.002","91.674","0.002","2431.07","0.12","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H15.5 N6 O2.75 -","- C9 H15.5 N6 O2.75 -","- C72 H124 N48 O22 -","8","4","","González-Jiménez, Mario; Arenas-Valgañón, Jorge; Calle, Emilio; Casado, Julio","Aromatic C-nitrosation of a bioactive molecule. Nitrosation of minoxidil.","Organic & biomolecular chemistry","2011","9","22","7680","7684","10.1039/c1ob05686g","","","1.54178","CuKα","","0.0463","0.0414","","","0.1096","0.1164","","","","","","1.037","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152027","30.3355","0.0008","7.26159","0.00018","18.3813","0.0005","90","","100.442","0.002","90","","3982.05","0.18","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Cl2 Fe O7 -","- C19 H18 Cl2 Fe O7 -","- C152 H144 Cl16 Fe8 O56 -","8","1","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","0.7107","MoKα","","0.0281","0.0233","","","0.0618","0.063","","","","","","1.068","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152028","10.1269","0.0004","10.2163","0.0003","12.6671","0.0003","100.953","0.002","106.792","0.003","110.272","0.003","1113.84","0.07","100.2","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 Fe O7 -","- C24 H26 Fe O7 -","- C48 H52 Fe2 O14 -","2","1","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","0.7107","MoKα","","0.0386","0.031","","","0.0685","0.0723","","","","","","1.063","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152029","9.7069","0.0002","13.1541","0.0003","16.1134","0.0004","90","","91.268","0.001","90","","2056.94","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Fe O7 -","- C21 H22 Fe O7 -","- C84 H88 Fe4 O28 -","4","1","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","1.54178","CuKα","","0.0293","0.0261","","","0.0663","0.0678","","","","","","0.986","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152030","10.2155","0.0004","10.6315","0.0004","13.011","0.0005","102.007","0.003","106.062","0.003","110.218","0.003","1199.83","0.09","100.1","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 Fe O7 -","- C26 H30 Fe O7 -","- C52 H60 Fe2 O14 -","2","1","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","0.7107","MoKα","","0.0576","0.045","","","0.1062","0.1155","","","","","","1.057","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152031","6.94866","0.00009","15.94213","0.00019","36.7435","0.0005","90","","93.4868","0.0012","90","","4062.78","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Fe O7 -","- C21 H22 Fe O7 -","- C168 H176 Fe8 O56 -","8","2","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","0.7107","MoKα","","0.0476","0.0364","","","0.0869","0.089","","","","","","1.141","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152032","7.525","0.003","10.852","0.004","11.633","0.004","103.951","0.006","105.568","0.007","99.03","0.006","862.8","0.6","294","2","294","2","","","","","","","","4","P -1","-P 1","2","racemic cyclo(2-hydroxy-2-((3,4,5- trimethyloxy)phenylmethyl)glycyl-prolyl","racemic cyclo[2-hydroxy-2-[(3,4,5-trimethyloxy)phenylmethyl]glycyl-prolyl","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C34 H44 N4 O12 -","2","1","","Liu, Shouxin; Mu, Yun; Han, Jianrong; Zhen, Xiaoli; Yang, Yihua; Tian, Xia; Whiting, Andrew","Stereoselective synthesis and rearrangement-fragmentation of arylidene N-alkoxydiketopiperazines.","Organic & biomolecular chemistry","2011","9","21","7476","7481","10.1039/c1ob05722g","","","0.71073","MoKα","","0.1443","0.0579","","","0.1453","0.1914","","","","","","1.057","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152033","9.7941","0.0014","10.3009","0.0015","17.223","0.002","90","","90","","90","","1737.6","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-cyclo(N-cyclohexyloxy-2-((beta-pyridyl) methylene)glycyl- prolyl","(S)-cyclo[N-cyclohexyloxy-2-[(β-pyridyl) methylene]glycyl-prolyl","","- C19 H23 N3 O3 -","- C19 H23 N3 O3 -","- C76 H92 N12 O12 -","4","1","","Liu, Shouxin; Mu, Yun; Han, Jianrong; Zhen, Xiaoli; Yang, Yihua; Tian, Xia; Whiting, Andrew","Stereoselective synthesis and rearrangement-fragmentation of arylidene N-alkoxydiketopiperazines.","Organic & biomolecular chemistry","2011","9","21","7476","7481","10.1039/c1ob05722g","","","0.71073","MoKα","","0.0458","0.0321","","","0.0741","0.0829","","","","","","1.039","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152034","6.9814","0.0002","20.5732","0.0006","9.8023","0.0002","90","","105.643","0.001","90","","1355.75","0.06","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N4 Se2 -","- C11 H16 N4 Se2 -","- C44 H64 N16 Se8 -","4","1","","Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy","Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.","Organic & biomolecular chemistry","2011","9","21","7343","7350","10.1039/c1ob05773a","","","0.71073","MoKα","","0.0436","0.0293","","","0.0663","0.0872","","","","","","1.646","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152035","6.893","0.002","20.222","0.006","9.776","0.003","90","","106.617","0.005","90","","1305.8","0.7","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N4 S2 -","- C11 H16 N4 S2 -","- C44 H64 N16 S8 -","4","1","","Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy","Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.","Organic & biomolecular chemistry","2011","9","21","7343","7350","10.1039/c1ob05773a","","","0.71073","MoKα","","0.0594","0.0407","","","0.1011","0.1131","","","","","","1.036","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152036","11.551","0.0006","8.8676","0.0004","14.669","0.0009","90","","107.566","0.003","90","","1432.48","0.13","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N4 Se2 -","- C12 H18 N4 Se2 -","- C48 H72 N16 Se8 -","4","0.5","","Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy","Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.","Organic & biomolecular chemistry","2011","9","21","7343","7350","10.1039/c1ob05773a","","","0.71073","MoKα","","0.0576","0.0404","","","0.0982","0.11","","","","","","1.047","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152037","11.7252","0.0009","8.7848","0.0007","33.465","0.003","90","","90","","90","","3447","0.5","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H20 N4 Se2 -","- C13 H20 N4 Se2 -","- C104 H160 N32 Se16 -","8","1","","Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy","Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.","Organic & biomolecular chemistry","2011","9","21","7343","7350","10.1039/c1ob05773a","","","0.71073","MoKα","","0.1313","0.0601","","","0.127","0.1419","","","","","","0.837","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152038","16.89","0.04","15.29","0.04","16.64","0.04","90","","110.63","0.03","90","","4022","17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Cl4 N7 O2 -","- C44 H45 Cl4 N7 O2 -","- C176 H180 Cl16 N28 O8 -","4","1","","Kolesnikov, Grigory V.; German, Konstantin E.; Kirakosyan, Gayane; Tananaev, Ivan G.; Ustynyuk, Yuri A.; Khrustalev, Victor N.; Katayev, Evgeny A.","Macrocyclic receptor for pertechnetate and perrhenate anions.","Organic & biomolecular chemistry","2011","9","21","7358","7364","10.1039/c1ob05873h","","","0.71073","MoKα","","0.3707","0.0906","","","0.1391","0.2213","","","","","","0.876","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152039","27.4384","0.001","5.6289","0.0002","22.7063","0.0008","90","","112.241","0.003","90","","3246","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 Cl2 O6 -","- C17 H16 Cl2 O6 -","- C136 H128 Cl16 O48 -","8","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0339","0.0264","","","0.0702","0.0719","","","","","","1.016","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152040","8.2989","0.0006","10.1312","0.0007","10.4773","0.0007","86.56","0.005","83.809","0.005","70.127","0.005","823.36","0.1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O8 -","- C18 H18 O8 -","- C36 H36 O16 -","2","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0497","0.0365","","","0.0938","0.0971","","","","","","1.065","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152041","10.152","0.002","8.2423","0.0016","12.511","0.003","90","","99.49","0.03","90","","1032.5","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 O7 -","- C25 H22 O7 -","- C50 H44 O14 -","2","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0315","0.0276","","","0.0677","0.0688","","","","","","0.983","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152042","7.9176","0.0004","11.1261","0.0006","11.5814","0.0007","89.052","0.005","80.895","0.004","77.206","0.004","982.18","0.1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O8 -","- C23 H20 O8 -","- C46 H40 O16 -","2","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0527","0.0326","","","0.0741","0.0773","","","","","","0.85","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152043","9.7224","0.0003","8.1879","0.0002","23.1457","0.0008","90","","95.519","0.003","90","","1834","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl O7 -","- C20 H19 Cl O7 -","- C80 H76 Cl4 O28 -","4","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0446","0.0303","","","0.072","0.0743","","","","","","0.968","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152044","9.0595","0.0004","11.5721","0.0005","15.5179","0.0006","73.732","0.003","84.917","0.003","87.568","0.003","1555.32","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H45 Br O7 -","- C33 H45 Br O7 -","- C66 H90 Br2 O14 -","2","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.058","0.0343","","","0.0633","0.0669","","","","","","0.874","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152045","8.023","","15.891","","22.67","","90","","97.96","","90","","2862.43","","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C144 H104 F8 N16 O8 -","8","1","","Huang, Aiping; Liu, Feng; Zhan, Chunjing; Liu, Yanli; Ma, Chen","One-pot synthesis of pyrrolo[1,2-a]quinoxalines.","Organic & biomolecular chemistry","2011","9","21","7351","7357","10.1039/c1ob05936j","","","0.71073","MoKα","","0.0772","0.0495","","","0.1248","0.1443","","","","","","1.018","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152046","9.032","0.002","9.319","0.002","9.925","0.002","88.946","0.002","73.298","0.002","65.822","0.002","725.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Huang, Aiping; Liu, Feng; Zhan, Chunjing; Liu, Yanli; Ma, Chen","One-pot synthesis of pyrrolo[1,2-a]quinoxalines.","Organic & biomolecular chemistry","2011","9","21","7351","7357","10.1039/c1ob05936j","","","0.71073","MoKα","","0.0787","0.0563","","","0.1758","0.2001","","","","","","0.96","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152047","7.5097","0.0005","14.8345","0.001","27.016","0.002","90","","90","","90","","3009.7","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-1-((E)-3-(4-nitrophenyl)allylidene)- 3,4-dihydronaphthalen-2(1H)-one","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C152 H120 N8 O24 -","8","1","","Chen, Jung-Hsuan; Chang, Chihliang; Chang, Hui-Ju; Chen, Kwunmin","Synthesis of 2,3,5,6-tetrahydro-1-alkyl/aryl-1H-benzo[f]chromen-3-ol derivatives from β-tetralones and α,β-unsaturated aldehydes.","Organic & biomolecular chemistry","2011","9","21","7510","7516","10.1039/c1ob05966a","","","0.71073","MoKα","","0.0633","0.0412","","","0.0956","0.1065","","","","","","1.024","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152048","5.935","0.0001","14.0588","0.0003","17.2947","0.0005","90","","90","","90","","1443.05","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-phenyl-5,6-dihydro-1H-benzo[f]chromen -3(2H)-one","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Chen, Jung-Hsuan; Chang, Chihliang; Chang, Hui-Ju; Chen, Kwunmin","Synthesis of 2,3,5,6-tetrahydro-1-alkyl/aryl-1H-benzo[f]chromen-3-ol derivatives from β-tetralones and α,β-unsaturated aldehydes.","Organic & biomolecular chemistry","2011","9","21","7510","7516","10.1039/c1ob05966a","","","0.71073","MoKα","","0.0745","0.0446","","","0.1014","0.1232","","","","","","1.155","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152049","8.096","0.001","8.215","0.001","18.205","0.002","84.374","0.006","81.515","0.005","79.197","0.005","1173.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cu N6 O8 -","- C24 H22 Cu N6 O8 -","- C48 H44 Cu2 N12 O16 -","2","1","","Roy, Basab; Rao, Alla Sreenivasa; Ahn, Kyo Han","Mononuclear Zn(ii)- and Cu(ii)-complexes of a hydroxynaphthalene-derived dipicolylamine: fluorescent sensing behaviours toward pyrophosphate ions.","Organic & biomolecular chemistry","2011","9","22","7774","7779","10.1039/c1ob05999h","","","0.71073","MoKα","","0.0429","0.0332","","","0.0825","0.0862","","","","","","1.035","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152050","10.6578","0.0002","32.0622","0.0006","12.1186","0.0003","90","","100.604","0.001","90","","4070.36","0.15","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 B Cl2 F6 N6 O2 -","- C41 H41 B Cl2 F6 N6 O2 -","- C164 H164 B4 Cl8 F24 N24 O8 -","4","1","","Maether, Marie-Pierre; Bernat, Virginie; Maturano, Marie; André-Barrès, Christiane; Ladeira, Sonia; Valentin, Alexis; Vial, Henri; Payrastre, Corinne","Synthesis and antiplasmodial activity of streptocyanine/peroxide and streptocyanine/4-aminoquinoline hybrid dyes.","Organic & biomolecular chemistry","2011","9","21","7400","7410","10.1039/c1ob06048a","","x-ray","0.71073","MoKα","","0.082","0.0526","","","0.1367","0.1581","","","","","","1.038","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152051","17.3524","0.0003","11.5299","0.0002","18.2276","0.0003","90","","112.482","0.001","90","","3369.66","0.1","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 B Cl F6 N4 O0.5 -","- C34 H34 B Cl F6 N4 O0.5 -","- C136 H136 B4 Cl4 F24 N16 O2 -","4","1","","Maether, Marie-Pierre; Bernat, Virginie; Maturano, Marie; André-Barrès, Christiane; Ladeira, Sonia; Valentin, Alexis; Vial, Henri; Payrastre, Corinne","Synthesis and antiplasmodial activity of streptocyanine/peroxide and streptocyanine/4-aminoquinoline hybrid dyes.","Organic & biomolecular chemistry","2011","9","21","7400","7410","10.1039/c1ob06048a","","x-ray","0.71073","MoKα","","0.0914","0.0683","","","0.1917","0.2135","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152052","21.3858","0.0004","11.0501","0.0002","30.9188","0.0007","90","","108.77","0.001","90","","6918","0.2","100","2","100","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H36 B Cl F6 N4 O2.5 -","- C34.5 H36 B Cl F6 N4 O2.5 -","- C276 H288 B8 Cl8 F48 N32 O20 -","8","1","","Maether, Marie-Pierre; Bernat, Virginie; Maturano, Marie; André-Barrès, Christiane; Ladeira, Sonia; Valentin, Alexis; Vial, Henri; Payrastre, Corinne","Synthesis and antiplasmodial activity of streptocyanine/peroxide and streptocyanine/4-aminoquinoline hybrid dyes.","Organic & biomolecular chemistry","2011","9","21","7400","7410","10.1039/c1ob06048a","","x-ray","0.71073","MoKα","","0.1021","0.0532","","","0.1132","0.1333","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152053","21.528","0.01","8.433","0.004","17.211","0.008","90","","94.65","0.016","90","","3114","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1'-cyclopropyl-4-methyl-1H,1'H-spiro[pyridine-2,2'- pyrido[2,3-d]pyrimidine]-3,4',6(3'H)-trione","","- C16.5 H17 N4 O3.5 -","- C16.5 H17 N4 O3.5 -","- C132 H136 N32 O28 -","8","1","","Antunes, Alexandra M. M.; Novais, David A.; Ferreira da Silva, J. L.; Santos, Pedro P.; Conceição Oliveira, M; Beland, Frederick A.; Matilde Marques, M.","Synthesis and oxidation of 2-hydroxynevirapine, a metabolite of the HIV reverse transcriptase inhibitor nevirapine.","Organic & biomolecular chemistry","2011","9","22","7822","7835","10.1039/c1ob06052j","","","0.71073","MoKα","","0.1389","0.0591","","","0.1096","0.1384","","","","","","0.954","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7152054","11.398","0.005","12.638","0.005","20.547","0.011","107.151","0.012","96.768","0.012","103.674","0.008","2691","2","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C39 H26 -","- C39 H26 -","- C156 H104 -","4","2","","Wang, Xiang-Chuan; Hu, Jie; Sun, Peng-Shuai; Zhong, Mei-Jin; Ali, Shaukat; Liang, Yong-Min","Copper-catalyzed dimerization fragmentation cyclization reactions of (E)-1-en-4-yn-3-ols as a versatile approach for the synthesis of multisubstituted 1H-cyclopenta[b]naphthalenes.","Organic & biomolecular chemistry","2011","9","21","7461","7467","10.1039/c1ob06087b","","","0.71073","MoKα","","0.1886","0.1369","","","0.3978","0.4315","","","","","","1.052","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152055","8.1131","0.0017","10.109","0.002","25.357","0.006","90","","90","","90","","2079.7","0.8","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 N2 O5 -","- C20 H32 N2 O5 -","- C80 H128 N8 O20 -","4","1","","Aitken, David J.; Drouin, Ludovic; Goretta, Sarah; Guillot, Régis; Ollivier, Jean; Spiga, Marco","Stereoselective preparation of β,γ-methano-GABA derivatives.","Organic & biomolecular chemistry","2011","9","21","7517","7524","10.1039/c1ob06095c","","x-ray","0.71073","MoKα","","0.0758","0.0532","","","0.1137","0.1231","","","","","","1.088","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152056","7.9874","0.0003","11.8978","0.0005","12.6662","0.0006","70.213","0.002","73.984","0.002","81.497","0.002","1086.69","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","1","","Dupeyre, Grégory; Lemoine, Pascale; Ainseba, Nabila; Michel, Sylvie; Cachet, Xavier","A one-pot synthesis of 7-phenylindolo[3,2-a]carbazoles from indoles and β-nitrostyrenes, via an unprecedented reaction sequence.","Organic & biomolecular chemistry","2011","9","22","7780","7790","10.1039/c1ob06108a","","","0.71073","MoKα","","0.0905","0.0545","","","0.1266","0.1519","","","","","","0.959","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152057","11.6427","0.0003","11.6427","0.0003","24.4087","0.0011","90","","90","","90","","3308.66","0.19","123","2","123","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","10200","","","- C16 H19 Br O5 -","- C16 H19 Br O5 -","- C128 H152 Br8 O40 -","8","1","","Tello-Aburto, Rodolfo; Kalstabakken, Kyle A.; Volp, Kelly A.; Harned, Andrew M.","Regioselective and stereoselective cyclizations of cyclohexadienones tethered to active methylene groups.","Organic & biomolecular chemistry","2011","9","22","7849","7859","10.1039/c1ob06125a","","","0.71073","MoKα","","0.0288","0.0271","","","0.0741","0.0754","","","","","","1.022","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152058","10.5256","0.0002","12.1392","0.0002","20.3601","0.0003","90","","90","","90","","2601.46","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br N2 O8 -","- C25 H31 Br N2 O8 -","- C100 H124 Br4 N8 O32 -","4","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Banerjee, Atoshi; Banerjee, Sharmistha","Design, synthesis and biological evaluation of optically pure functionalized spiro[5,5]undecane-1,5,9-triones as HIV-1 inhibitors.","Organic & biomolecular chemistry","2011","9","21","7282","7286","10.1039/c1ob06133j","","","1.54184","CuKα","","0.0296","0.0295","","","0.079","0.0791","","","","","","1.111","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152059","7.6547","0.0009","10.415","0.0009","13.3157","0.0014","90","","90.1","","90","","1061.58","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Br N2 O6 -","- C22 H25 Br N2 O6 -","- C44 H50 Br2 N4 O12 -","2","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Banerjee, Atoshi; Banerjee, Sharmistha","Design, synthesis and biological evaluation of optically pure functionalized spiro[5,5]undecane-1,5,9-triones as HIV-1 inhibitors.","Organic & biomolecular chemistry","2011","9","21","7282","7286","10.1039/c1ob06133j","","","1.54184","CuKα","","0.0753","0.0729","","","0.1686","0.1709","","","","","","1.02","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152060","7.1487","0.0008","13.2022","0.0014","28.639","0.003","90","","90","","90","","2702.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O8 -","- C28 H38 O8 -","- C112 H152 O32 -","4","1","","Wang, Jian-Rong; Liu, Hai-Li; Kurtán, Tibor; Mándi, Attila; Antus, Sándor; Li, Jia; Zhang, Hai-Yan; Guo, Yue-Wei","Protolimonoids and norlimonoids from the stem bark of Toona ciliata var. pubescens.","Organic & biomolecular chemistry","2011","9","22","7685","7696","10.1039/c1ob06150j","","","0.71073","MoKα","","0.0785","0.0415","","","0.0847","0.0941","","","","","","0.857","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152061","10.208","0.0008","15.3825","0.0012","17.7371","0.0014","90","","90","","90","","2785.2","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 O4 -","- C31 H50 O4 -","- C124 H200 O16 -","4","1","","Wang, Jian-Rong; Liu, Hai-Li; Kurtán, Tibor; Mándi, Attila; Antus, Sándor; Li, Jia; Zhang, Hai-Yan; Guo, Yue-Wei","Protolimonoids and norlimonoids from the stem bark of Toona ciliata var. pubescens.","Organic & biomolecular chemistry","2011","9","22","7685","7696","10.1039/c1ob06150j","","","0.71073","MoKα","","0.0679","0.0574","","","0.1384","0.145","","","","","","1.015","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152062","10.3331","0.0003","10.8017","0.0003","18.4984","0.0005","90","0","102.951","0.045","90","0","2012.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Karabuga, Semistan; Cakici, Murat; Kazaz, Cavit; Sahin, Ertan; Kilic, Hamdullah; Ulukanli, Sabri","Synthesis of chiral sulfoximines derived from 3-aminoquinazolinones and their catalysis of enantioselective diethylzinc addition to aldehydes.","Organic & biomolecular chemistry","2011","9","22","7887","7896","10.1039/c1ob06205k","","","0.71073","MoKα","","0.084","0.0519","","","0.123","0.1461","","","","","","1.073","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152063","9.1743","0.0003","9.9834","0.0004","13.0708","0.0004","79.253","0.003","76.645","0.003","86.29","0.003","1144.07","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25.2 N O4.1 S2 -","- C25 H25 N O4.1 S2 -","- C50 H50 N2 O8.2 S4 -","2","1","","Camp, Jason E.; Craig, Donald; Funai, Kiyohiko; White, Andrew J. P.","Decarboxylative Claisen rearrangement reactions: synthesis and reactivity of alkylidene-substituted indolines.","Organic & biomolecular chemistry","2011","9","22","7904","7912","10.1039/c1ob06212c","","","0.71073","MoKα","","0.0569","0.0392","","","0.0991","0.1024","","","","","","0.988","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152064","23.93","0.003","9.1192","0.0004","17.171","0.002","90","","134.52","0.02","90","","2671.7","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","12b-Hydroxy-3-bromo-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","12b-Hydroxy-3-bromo-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C16 H12 Br N O2 -","- C16 H12 Br N O2 -","- C128 H96 Br8 N8 O16 -","8","1","","Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj","Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.","Organic & biomolecular chemistry","2011","9","22","7643","7646","10.1039/c1ob06349a","","","0.71073","MoKα","","0.053107","0.039394","","","","0.065956","","","","","","1.02533","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152065","7.9048","0.0008","7.9136","0.0011","10.4368","0.0015","78.413","0.013","87.471","0.01","76.97","0.01","623.11","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","12b-Hydroxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","12b-Hydroxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj","Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.","Organic & biomolecular chemistry","2011","9","22","7643","7646","10.1039/c1ob06349a","","","0.71073","MoKα","","0.1041","0.063","","","0.1558","0.1769","","","","","","1.044","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7152066","11.3081","0.0006","6.5772","0.0004","20.0573","0.0013","90","","90","","90","","1491.77","0.15","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","12b-Hydroxy-1,4-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","12b-Hydroxy-1,4-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj","Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.","Organic & biomolecular chemistry","2011","9","22","7643","7646","10.1039/c1ob06349a","","","0.71073","MoKα","","0.0711","0.0337","","","0.0569","0.062","","","","","","0.792","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152067","10.155","0.0002","19.4043","0.0005","9.8299","0.0003","90","","95.344","0.002","90","","1928.57","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O6 -","- C20 H23 N O7 -","- C80 H92 N4 O28 -","4","1","","Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj","Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.","Organic & biomolecular chemistry","2011","9","22","7643","7646","10.1039/c1ob06349a","","","0.71073","MoKα","","0.0597","0.0419","","","0.0999","0.1099","","","","","","1.005","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152068","11.7004","0.0012","15.9776","0.0013","7.1602","0.0006","90","","107.25","0.005","90","","1278.4","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Petitjean, Anne","Z-Formamidoximes in molecular folding and macrocycles.","Organic & biomolecular chemistry","2011","9","22","7647","7651","10.1039/c1ob06378b","","","0.71073","MoKα","","0.0717","0.0441","","","0.1017","0.1172","","","","","","1.035","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152069","14.4432","0.0008","14.602","0.0008","14.6895","0.0008","64.035","0.001","76.977","0.001","61.12","","2438.5","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H23 F3 N7 O7.5 S -","- C19 H23 F3 N7 O7.5 S -","- C76 H92 F12 N28 O30 S4 -","4","2","","Zhao, Weiwen; Wang, Ruiyao; Petitjean, Anne","Z-Formamidoximes in molecular folding and macrocycles.","Organic & biomolecular chemistry","2011","9","22","7647","7651","10.1039/c1ob06378b","","","0.71073","MoKα","","0.0663","0.0569","","","0.1408","0.1494","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152070","11.3994","0.0002","17.3955","0.0004","25.7476","0.0005","90","","102.612","0.001","90","","4982.51","0.17","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C48 H44 N18 O13 -","- C48 H44 N18 O13 -","- C192 H176 N72 O52 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Petitjean, Anne","Z-Formamidoximes in molecular folding and macrocycles.","Organic & biomolecular chemistry","2011","9","22","7647","7651","10.1039/c1ob06378b","","","0.71073","MoKα","","0.0742","0.0443","","","0.0898","0.1042","","","","","","1.014","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152071","11.863","0.004","9.081","0.003","10.47","0.004","90","","92.446","0.006","90","","1126.9","0.7","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Patel, Pitambar; Ramana, Chepuri V.","Divergent Pd(ii) and Au(iii) mediated nitroalkynol cycloisomerizations.","Organic & biomolecular chemistry","2011","9","21","7327","7334","10.1039/c0ob00858c","","","0.71073","MoKα","","0.0532","0.0459","","","0.114","0.1194","","","","","","1.083","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152072","5.075","0.002","10.398","0.004","24.245","0.01","90","","96.01","","90","","1272.4","0.9","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Patel, Pitambar; Ramana, Chepuri V.","Divergent Pd(ii) and Au(iii) mediated nitroalkynol cycloisomerizations.","Organic & biomolecular chemistry","2011","9","21","7327","7334","10.1039/c0ob00858c","","","0.71073","MoKα","","0.1332","0.0742","","","0.1322","0.1552","","","","","","1.068","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152073","5.122","0.003","10.084","0.006","16.501","0.01","90","","96.062","0.013","90","","847.5","0.9","200","2","200","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","Boc-Ala-CuM","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C34 H42 N2 O10 -","2","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","A facile transformation of amino acids to functionalized coumarins.","Organic & biomolecular chemistry","2011","9","23","8089","8095","10.1039/c1ob05815k","","x-ray","0.71073","MoKα","","0.0642","0.0481","","","0.1216","0.1331","","","","","","1.028","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152074","16.779","0.003","10.0638","0.0017","11.0022","0.0019","90","","103.905","0.004","90","","1803.4","0.5","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","A facile transformation of amino acids to functionalized coumarins.","Organic & biomolecular chemistry","2011","9","23","8089","8095","10.1039/c1ob05815k","","","0.71073","MoKα","","0.0409","0.0355","","","0.0896","0.0936","","","","","","1.053","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152075","8.044","0.0002","18.8305","0.0008","11.1262","0.0004","90","","101.736","0.002","90","","1650.08","0.1","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.1081","0.0583","","","0.1378","0.1634","","","","","","1.031","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152076","7.6826","0.0002","12.2144","0.0004","15.2964","0.0004","90","","90","","90","","1435.39","0.07","120","2","120","2","","","","","","","Pedro Cintas","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.0366","0.0333","","","0.08","0.0819","","","","","","1.189","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7152077","8.4367","0.0003","7.7374","0.0003","11.1697","0.0005","90","","90.964","0.003","90","","729.03","0.05","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.0739","0.0538","","","0.1057","0.1174","","","","","","1.206","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7152078","8.5131","0.0002","12.4731","0.0004","15.8417","0.0005","90","","103.012","0.002","90","","1638.95","0.08","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21/n 1","-P 2yn","14","NAFTBU","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.0939","0.0571","","","0.1401","0.1604","","","","","","1.054","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152079","17.7484","0.0004","15.5301","0.0004","26.3541","0.0007","90","","106.562","0.001","90","","6962.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H98 N6 O8 S4 -","- C62 H98 N6 O8 S4 -","- C248 H392 N24 O32 S16 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0882","0.0741","","","0.2275","0.2455","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152080","25.4032","0.0011","25.5614","0.0011","23.8466","0.0008","90","","93.307","0.003","90","","15458.8","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H31 F12 N3 O4 S2 -","- C36 H31 F12 N3 O4 S2 -","- C576 H496 F192 N48 O64 S32 -","16","2","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.1601","0.1261","","","0.3797","0.4047","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152081","18.6703","0.0005","10.3143","0.0003","25.8835","0.0006","90","","90","","90","","4984.4","0.2","273","2","273","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H51 Cl F12 N4 O4 S2 -","- C44 H51 Cl F12 N4 O4 S2 -","- C176 H204 Cl4 F48 N16 O16 S8 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0922","0.0739","","","0.2217","0.2581","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152082","18.7203","0.0005","10.3816","0.0003","25.9329","0.0006","90","","90","","90","","5040","0.2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H51 Br F12 N4 O4 S2 -","- C44 H51 Br F12 N4 O4 S2 -","- C176 H204 Br4 F48 N16 O16 S8 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0615","0.0527","","","0.1505","0.1623","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152083","18.8303","0.0005","10.4962","0.0003","26.058","0.0007","90","","90","","90","","5150.3","0.2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H51 F12 I N4 O4 S2 -","- C44 H51 F12 I N4 O4 S2 -","- C176 H204 F48 I4 N16 O16 S8 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0556","0.044","","","0.1169","0.1272","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152084","7.5836","0.0005","16.6354","0.0015","16.7866","0.001","90","","97.485","0.008","90","","2099.7","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl3 N2 O -","- C24 H15 Cl3 N2 O -","- C96 H60 Cl12 N8 O4 -","4","1","","Grotkopp, Oliver; Ahmad, Atia; Frank, Walter; Müller, Thomas J J","Blue-luminescent 5-(3-indolyl)oxazoles via microwave-assisted three-component coupling-cycloisomerization-Fischer indole synthesis.","Organic & biomolecular chemistry","2011","9","23","8130","8140","10.1039/c1ob06153d","","","0.71073","MoKα","","0.1556","0.0387","","","0.0501","0.0623","","","","","","0.936","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152085","8.751","0.003","10.6327","0.0017","21.676","0.006","90","","100.49","0.03","90","","1983.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-{4-[1-(pyridin-2-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl} -3-[4-(trifluoromethyl)phenyl]urea","","- C22 H17 F3 N6 O -","- C22 H17 F3 N6 O -","- C88 H68 F12 N24 O4 -","4","1","","Bergamaschi, Greta; Boiocchi, Massimo; Monzani, Enrico; Amendola, Valeria","Pyridinium/urea-based anion receptor: methine formation in the presence of basic anions.","Organic & biomolecular chemistry","2011","9","24","8276","8283","10.1039/c1ob06193c","","","0.71073","MoKα","","0.0992","0.0737","","","0.1688","0.1916","","","","","","1.057","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152086","4.9152","0.0002","9.6665","0.0004","50.7258","0.0018","90","","90","","90","","2410.12","0.16","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H45 N O3 -","- C25 H45 N O3 -","- C100 H180 N4 O12 -","4","1","","Rives, Arnaud; Baudoin-Dehoux, Cécile; Saffon, Nathalie; Andrieu-Abadie, Nathalie; Génisson, Yves","Asymmetric synthesis and cytotoxic activity of isomeric phytosphingosine derivatives.","Organic & biomolecular chemistry","2011","9","23","8163","8170","10.1039/c1ob06195j","","","0.71073","MoKα","","0.0977","0.0509","","","0.0903","0.1049","","","","","","1.027","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152087","10.2997","0.0005","4.987","0.0003","24.6551","0.0013","90","","92.668","0.004","90","","1265.03","0.12","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H45 N O3 -","- C25 H45 N O3 -","- C50 H90 N2 O6 -","2","1","","Rives, Arnaud; Baudoin-Dehoux, Cécile; Saffon, Nathalie; Andrieu-Abadie, Nathalie; Génisson, Yves","Asymmetric synthesis and cytotoxic activity of isomeric phytosphingosine derivatives.","Organic & biomolecular chemistry","2011","9","23","8163","8170","10.1039/c1ob06195j","","","0.71073","MoKα","","0.0831","0.0545","","","0.1405","0.1557","","","","","","1.071","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152088","9.978","0.003","10.704","0.003","17.817","0.006","74.1","0.02","81.31","0.02","81.28","0.02","1796.9","1","150","1","150","1","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C38 H28 Cl4 N4 O10 -","- C38 H28 Cl4 N4 O10 -","- C76 H56 Cl8 N8 O20 -","2","2","","Lemouchi, Cyprien; Simonov, Sergey; Zorina, Leokadiya; Gautier, Christelle; Hudhomme, Piétrick; Batail, Patrick","Amino acid derivatives of perylenediimide and their N-HO peptide bond dipoles-templated solid state assembly into stacks.","Organic & biomolecular chemistry","2011","9","23","8096","8101","10.1039/c1ob06213a","","","0.71073","MoKα","","0.1485","0.0713","","","0.1169","0.1354","","","","","","1.015","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152089","10.019","0.002","16.372","0.003","49.573","0.009","90","","90","","90","","8132","3","150","1","150","1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 Cl4 N4 O10 -","- C42 H36 Cl4 N4 O10 -","- C336 H288 Cl32 N32 O80 -","8","2","","Lemouchi, Cyprien; Simonov, Sergey; Zorina, Leokadiya; Gautier, Christelle; Hudhomme, Piétrick; Batail, Patrick","Amino acid derivatives of perylenediimide and their N-HO peptide bond dipoles-templated solid state assembly into stacks.","Organic & biomolecular chemistry","2011","9","23","8096","8101","10.1039/c1ob06213a","","","0.71073","MoKα","","0.1297","0.0642","","","0.1241","0.1387","","","","","","1.036","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152090","6.3355","0.0006","7.439","0.0008","26.291","0.002","90","","90","","90","","1239.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2-[(R)-1-hydroxy-3-phenylpropyl]piperidine","","- C14 H21 N O -","- C14 H21 N O -","- C56 H84 N4 O4 -","4","1","","Gálvez, José A; Díaz de Villegas, María D; Badorrey, Ramón; López-Ram-de-Víu, Pilar","Switch in regioselectivity of epoxide ring-opening by changing the organometallic reagent.","Organic & biomolecular chemistry","2011","9","23","8155","8162","10.1039/c1ob06216f","","","0.71073","MoKα","","0.0944","0.052","","","0.0762","0.0836","","","","","","0.894","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152091","9.8157","0.0004","15.5367","0.0005","14.1068","0.0007","90","","98.289","0.004","90","","2128.86","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N O4 Si -","- C19 H27 N O4 Si -","- C76 H108 N4 O16 Si4 -","4","1","","More, Vijaykumar; Di Mola, Antonia; Croce, Gianluca; Tedesco, Consiglia; Petronzi, Carmen; Peduto, Antonella; De Caprariis, Paolo; Filosa, Rosanna; Massa, Antonio","Multi-component, regio-selective aldol addition of β-ketoesters to aldehydes: scope and applications.","Organic & biomolecular chemistry","2011","9","24","8483","8488","10.1039/c1ob06229h","","","0.71073","MoKα","","0.1271","0.0647","","","0.1751","0.2241","","","","","","0.978","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152092","6.155","0.005","9.28","0.005","14.021","0.005","80.62","0.005","86.561","0.005","70.941","0.005","746.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C7.5 H8.5 O2 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","More, Vijaykumar; Di Mola, Antonia; Croce, Gianluca; Tedesco, Consiglia; Petronzi, Carmen; Peduto, Antonella; De Caprariis, Paolo; Filosa, Rosanna; Massa, Antonio","Multi-component, regio-selective aldol addition of β-ketoesters to aldehydes: scope and applications.","Organic & biomolecular chemistry","2011","9","24","8483","8488","10.1039/c1ob06229h","","","0.71073","MoKα","","0.3505","0.1109","","","0.1906","0.3031","","","","","","0.918","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152093","9.1149","0.0011","6.9784","0.0008","14.9231","0.0015","90","","98.171","0.007","90","","939.58","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","rac-7-hydroxy-2-oxaspiro(5.5)undec-8-en-1-one","rac-7-hydroxy-2-oxaspiro[5.5]undec-8-en-1-one","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Duroure, Leslie; Jousseaume, Thierry; Aráoz, Rómulo; Barré, Elvina; Retailleau, Pascal; Chabaud, Laurent; Molgó, Jordi; Guillou, Catherine","6,6-Spiroimine analogs of (-)-gymnodimine A: synthesis and biological evaluation on nicotinic acetylcholine receptors.","Organic & biomolecular chemistry","2011","9","23","8112","8118","10.1039/c1ob06257c","","","1.54187","CuKα","","0.0682","0.0524","","","0.1617","0.1804","","","","","","1.091","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152094","5.919","0.003","14.531","0.005","25.735","0.011","90","","90","","90","","2213.4","1.7","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 O6 S2 -","- C24 H22 O6 S2 -","- C96 H88 O24 S8 -","4","1","","Companyó, Xavier; Valero, Guillem; Ceban, Victor; Calvet, Teresa; Font-Bardía, Mercé; Moyano, Albert; Rios, Ramon","Enantioselective organocatalytic asymmetric allylic alkylation. Bis(phenylsulfonyl)methane addition to MBH carbonates.","Organic & biomolecular chemistry","2011","9","23","7986","7989","10.1039/c1ob06308a","","","0.71073","MoKα","","0.0965","0.0779","","","0.1815","0.2035","","","","","","1.098","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152095","7.1296","0.0002","9.0495","0.0004","27.5442","0.001","90","","90","","90","","1777.13","0.11","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O9 -","- C16 H20 O9 -","- C64 H80 O36 -","4","1","","Leaver, David J.; Dawson, Raymond M.; White, Jonathan M.; Polyzos, Anastasios; Hughes, Andrew B.","Synthesis of 1,2,3-triazole linked galactopyranosides and evaluation of cholera toxin inhibition.","Organic & biomolecular chemistry","2011","9","24","8465","8474","10.1039/c1ob06317k","","","1.5418","CuKα","","0.0365","0.036","","","0.0956","0.0961","","","","","","1.058","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152096","18.1428","0.0008","8.3337","0.0005","11.7816","0.0009","90","","94.391","0.006","90","","1776.11","0.19","130","","130","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H20 O9 -","- C16 H20 O9 -","- C64 H80 O36 -","4","1","","Leaver, David J.; Dawson, Raymond M.; White, Jonathan M.; Polyzos, Anastasios; Hughes, Andrew B.","Synthesis of 1,2,3-triazole linked galactopyranosides and evaluation of cholera toxin inhibition.","Organic & biomolecular chemistry","2011","9","24","8465","8474","10.1039/c1ob06317k","","","0.7107","MoKα","","0.0438","0.0374","","","0.0861","0.0906","","","","","","1.071","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152097","10.2837","0.0002","16.8731","0.0003","12.5611","0.0002","90","","109.192","0.001","90","","2058.44","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H52 N6 O6 -","- C44 H52 N6 O6 -","- C88 H104 N12 O12 -","2","1","","Oh, Joong-Suk; Kim, Kyung Il; Song, Choong Eui","Enantioselective synthesis of α-deuterium labelled chiral α-amino acids via dynamic kinetic resolution of racemic azlactones.","Organic & biomolecular chemistry","2011","9","23","7983","7985","10.1039/c1ob06319g","","","0.71073","MoKα","","0.0721","0.0432","","","0.0963","0.106","","","","","","0.935","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152098","9.3525","0.0004","10.0265","0.0005","10.842","0.0005","113.426","0.002","96.914","0.002","97.59","0.002","907.85","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","pyrazolobenzoxazine","","","- C20 H17 N3 O5 -","- C20 H17 N3 O5 -","- C40 H34 N6 O10 -","2","1","","Brahma, Kaushik; Sasmal, Anup Kumar; Chowdhury, Chinmay","An efficient strategy for the general synthesis of 3-aryl substituted pyrazolo[5,1-c][1,4]benzoxazines and pyrazolo[1,5-a][1,4]benzodiazepin-6(4H)-ones.","Organic & biomolecular chemistry","2011","9","24","8422","8429","10.1039/c1ob06353g","","","0.71073","MoKα","","0.054","0.0477","","","0.1255","0.1369","","","","","","0.674","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152099","5.4376","0.0007","9.7637","0.0012","22.815","0.003","90","","90","","90","","1211.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 I O -","- C13 H13 I O -","- C52 H52 I4 O4 -","4","1","","Duce, Sara; Jorge, María; Alonso, Inés; Ruano, José Luis García; Cid, M Belén","An organocatalytic approach to enantiomerically enriched α-arylcyclohexenones and cyclohexanones.","Organic & biomolecular chemistry","2011","9","24","8253","8260","10.1039/c1ob06356a","","","0.71073","MoKα","","0.0393","0.0291","","","0.0586","0.064","","","","","","1.089","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152100","11.207","0.002","12.542","0.003","15.394","0.003","70.9","0.03","85.07","0.03","89.15","0.03","2036.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 N4 O2 S4 -","- C38 H54 N4 O2 S4 -","- C76 H108 N8 O4 S8 -","2","1","","Chen, Cheng; Dong, Haijun; Chen, Yaqing; Guo, Liangqia; Wang, Zhenyu; Sun, Jian-Jun; Fu, Nanyan","Dual-mode unsymmetrical squaraine-based sensor for selective detection of Hg(2+) in aqueous media.","Organic & biomolecular chemistry","2011","9","23","8195","8201","10.1039/c1ob06519j","","","0.71073","MoKα","","0.186","0.1262","","","0.2922","0.3362","","","","","","1.158","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7152101","6.393","0.013","9.37","0.02","26.44","0.06","90","","92.38","0.02","90","","1582","6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl2 N O3 -","- C16 H11 Cl2 N O3 -","- C64 H44 Cl8 N4 O12 -","4","1","","Lu, Shen-Ci; Wang, Wei-Xia; Gao, Pan-Liang; Zhang, Wei; Tu, Zhi-Feng","Photoinduced chlorine atom-transfer cyclization/photohydrolysis of 3-acyl-2-chloro-N-(ω-phenylalkynyl)pyrroles: a one-pot synthesis of benzoyl-substituted fused pyrroles.","Organic & biomolecular chemistry","2012","10","2","232","235","10.1039/c1ob05954h","","","0.71073","MoKα","","0.3128","0.1024","","","0.1659","0.2454","","","","","","0.958","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152102","14.3728","0.0002","14.5231","0.0002","14.9321","0.0003","66.097","0.001","62.095","0.001","73.914","0.001","2503.44","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H54 N10 O13 -","- C53 H54 N10 O13 -","- C106 H108 N20 O26 -","2","1","","Klein, Jörg M; Saggiomo, Vittorio; Reck, Lisa; Lüning, Ulrich; Sanders, Jeremy K. M.","Dynamic combinatorial libraries for the recognition of heavy metal ions.","Organic & biomolecular chemistry","2012","10","1","60","66","10.1039/c1ob05976a","","","0.71073","MoKα","","0.1033","0.0575","","","0.1217","0.1416","","","","","","1.03","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152103","8.0009","0.0002","25.2757","0.0005","12.9386","0.0003","90","","92.918","0.001","90","","2613.16","0.1","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H31 N5 O8 -","- C27 H31 N5 O8 -","- C108 H124 N20 O32 -","4","1","","Klein, Jörg M; Saggiomo, Vittorio; Reck, Lisa; Lüning, Ulrich; Sanders, Jeremy K. M.","Dynamic combinatorial libraries for the recognition of heavy metal ions.","Organic & biomolecular chemistry","2012","10","1","60","66","10.1039/c1ob05976a","","","0.71073","MoKα","","0.046","0.0366","","","0.0816","0.0866","","","","","","1.047","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152104","11.8038","0.0004","16.2989","0.0005","19.3777","0.0008","90","","105.682","0.002","90","","3589.3","0.2","132","2","132","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O S2 -","- C22 H15 N O S2 -","- C176 H120 N8 O8 S16 -","8","2","","Maurya, Hardesh K.; Tandon, Vishnu K.; Kumar, Brijesh; Kumar, Abhinav; Huch, Volker; Ram, Vishnu Ji","Non-catalytic approach to the synthesis of partially reduced 'S' shaped dioxathia- and oxadithiahelicenes through base induced inter- and intramolecular C-C bond formation.","Organic & biomolecular chemistry","2012","10","3","605","613","10.1039/c1ob06091k","","","0.71073","MoKα","","0.1403","0.0844","","","0.18","0.2007","","","","","","1.176","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152105","8.7105","0.0006","8.3893","0.0006","41.097","0.003","90","","90","","90","","3003.2","0.4","132","2","132","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H13 Cl N2 O2 S -","- C17 H13 Cl N2 O2 S -","- C136 H104 Cl8 N16 O16 S8 -","8","2","","Maurya, Hardesh K.; Tandon, Vishnu K.; Kumar, Brijesh; Kumar, Abhinav; Huch, Volker; Ram, Vishnu Ji","Non-catalytic approach to the synthesis of partially reduced 'S' shaped dioxathia- and oxadithiahelicenes through base induced inter- and intramolecular C-C bond formation.","Organic & biomolecular chemistry","2012","10","3","605","613","10.1039/c1ob06091k","","","0.71073","MoKα","","0.0746","0.0562","","","0.1334","0.143","","","","","","1.038","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152106","7.723","0.002","9.374","0.004","24.947","0.007","90","","95.26","0.03","90","","1798.4","1","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O2 S -","- C23 H17 N O2 S -","- C92 H68 N4 O8 S4 -","4","1","","Maurya, Hardesh K.; Tandon, Vishnu K.; Kumar, Brijesh; Kumar, Abhinav; Huch, Volker; Ram, Vishnu Ji","Non-catalytic approach to the synthesis of partially reduced 'S' shaped dioxathia- and oxadithiahelicenes through base induced inter- and intramolecular C-C bond formation.","Organic & biomolecular chemistry","2012","10","3","605","613","10.1039/c1ob06091k","","","0.71073","MoKα","","0.052","0.0391","","","0.1006","0.1074","","","","","","1.02","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152107","10.8844","0.0004","14.3626","0.0006","15.4658","0.001","113.395","0.003","103.121","0.003","99.252","0.002","2074.15","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H58 Cl3 Dy N8 O10 -","- C31 H58 Cl3 Dy N8 O10 -","- C62 H116 Cl6 Dy2 N16 O20 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0289","0.0237","","","0.0593","0.062","","","","","","1.056","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152108","11.1524","0.0006","13.9136","0.0007","15.2106","0.0012","110.878","0.003","103.133","0.003","100.034","0.002","2061.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H58 Cl3 N8 Nd O10 -","- C31 H58 Cl3 N8 Nd O10 -","- C62 H116 Cl6 N16 Nd2 O20 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0347","0.0269","","","0.0615","0.0647","","","","","","1.069","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152109","10.8916","0.0005","14.362","0.0006","15.4604","0.001","113.338","0.002","103.205","0.003","99.22","0.002","2075","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H57 Cl3 N8 O10 Tb -","- C31 H57 Cl3 N8 O10 Tb -","- C62 H114 Cl6 N16 O20 Tb2 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0263","0.0224","","","0.0574","0.0598","","","","","","1.066","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152110","10.8858","0.0005","14.3185","0.0006","15.4483","0.0007","113.484","0.002","102.767","0.002","99.404","0.002","2067","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H53 Cl3 N8 O10 Yb -","- C31 H53 Cl3 N8 O10 Yb -","- C62 H106 Cl6 N16 O20 Yb2 -","2","1","","Milne, Mark; Chicas, Kirby; Li, Alex; Bartha, Robert; Hudson, Robert H. E.","ParaCEST MRI contrast agents capable of derivatization via""click"" chemistry.","Organic & biomolecular chemistry","2012","10","2","287","292","10.1039/c1ob06162c","","","0.71073","MoKα","","0.0431","0.0303","","","0.0631","0.0683","","","","","","1.063","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152111","12.828","0.002","11.141","0.002","16.665","0.003","90","","103.208","0.01","90","","2318.7","0.7","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H22 F2 N2 O -","- C30 H22 F2 N2 O -","- C120 H88 F8 N8 O4 -","4","1","","Zhou, Rong; Wang, Jianfang; Tian, Junjun; He, Zhengjie","Phosphine-catalyzed [4 + 2] annulation and vinylogous addition reactions between 1,4-dien-3-ones and 1,1-dicyanoalkenes.","Organic & biomolecular chemistry","2012","10","4","773","781","10.1039/c1ob06187a","","","0.71073","MoKα","","0.0332","0.0285","","","0.0599","0.0606","","","","","","1.043","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152113","10.3225","0.0007","11.2447","0.0008","16.7681","0.0011","90","","114.116","0.004","90","","1776.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C80 H64 N16 O8 -","8","2","","Li, Ping; Teng, Bo-Tao; Jin, Fa-Gen; Li, Xin-Sheng; Zhu, Wei-Dong; Xie, Jian-Wu","Synthesis of functionalized 2,3-dihydroisoxazoles by domino reactions in water and unexpected ring-opening reactions of 2,3-dihydroisoxazoles.","Organic & biomolecular chemistry","2012","10","2","244","247","10.1039/c1ob06318a","","","0.71073","MoKα","","","0.0483","","","0.1209","0.1477","","","","","","1.01","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152114","6.2773","0.0003","9.4898","0.0006","10.1036","0.0006","90","","90","","90","","601.87","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0292","0.0264","","0.0332","0.0301","0.0301","","","","","","1.0409","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152115","6.7114","0.0003","10.2593","0.0004","17.4506","0.0007","90","","90","","90","","1201.55","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0287","0.0253","","0.0355","0.0305","0.0305","","","","","","1.0396","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152116","5.0789","0.0002","11.0036","0.0005","10.9164","0.0005","90","","90.128","0.002","90","","610.07","0.05","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0235","0.0214","","0.0283","0.0252","0.0252","","","","","","1.1423","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152117","5.6736","0.0002","9.5781","0.0004","10.7239","0.0004","90","","90","","90","","582.76","0.04","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0276","0.0245","","0.0348","0.0291","0.0291","","","","","","1.1434","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152118","6.4573","0.0003","9.4912","0.0005","10.0281","0.0005","90","","90","","90","","614.6","0.05","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0268","0.0242","","0.0314","0.0283","0.0283","","","","","","1.0708","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152119","6.1219","0.0003","8.5353","0.0006","11.8539","0.0008","90","","90","","90","","619.39","0.07","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0309","0.0255","","0.0388","0.0295","0.0295","","","","","","0.9937","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152120","6.6936","0.0005","7.0452","0.0005","6.707","0.0005","90","","99.357","0.002","90","","312.08","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0263","0.0235","","0.0294","0.0268","0.0268","","","","","","1.1023","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152121","6.1357","0.0004","5.1847","0.0003","9.4064","0.0006","90","","93.064","0.002","90","","298.81","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0264","0.0242","","0.0313","0.0275","0.0275","","","","","","1.1586","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152122","7.698","0.0002","8.773","0.0002","8.885","0.0003","90","","94.976","0.0016","90","","597.78","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0325","0.0273","","0.0366","0.0308","0.0308","","","","","","1.0295","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152123","8.193","0.0003","7.164","0.0003","10.941","0.0005","90","","109.287","0.002","90","","606.14","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.047","0.0304","","0.0581","0.0345","0.0345","","","","","","1.0842","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152124","6.3628","0.0002","9.2072","0.0003","10.1628","0.0003","90","","90","","90","","595.37","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0347","0.0295","","0.0384","0.0341","0.0341","","","","","","1.1757","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152125","5.7591","0.0003","6.2197","0.0003","16.2984","0.0008","90","","90","","90","","583.81","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0373","0.0271","","0.0413","0.0308","0.0308","","","","","","1.1361","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152126","6.1181","0.0003","7.1297","0.0003","6.9272","0.0004","90","","94.628","0.002","90","","301.18","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C12 H14 F2 O6 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0266","0.0235","","0.0318","0.0277","0.0277","","","","","","1.1481","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152127","6.271","0.0002","7.6812","0.0002","12.1999","0.0003","90","","90","","90","","587.65","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0281","0.0267","","0.0303","0.0298","0.0298","","","","","","1.1424","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152128","6.3457","0.0002","7.8536","0.0004","12.1288","0.0005","90","","90","","90","","604.46","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0317","0.0281","","0.0351","0.0295","0.0295","","","","","","1.1513","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152129","7.2178","0.001","8.7675","0.0013","9.5","0.002","90","","90","","90","","601.18","0.18","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0377","0.0295","","0.0475","0.0334","0.0334","","","","","","1.0651","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152130","5.1716","0.0002","5.2806","0.0002","6.082","0.0003","68.403","0.002","67.501","0.002","80.743","0.003","142.64","0.011","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C6 H7 F O3 -","1","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.027","0.0261","","0.0281","0.0274","0.0274","","","","","","1.179","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152131","6.7058","0.0005","8.1556","0.0005","10.7504","0.0007","90","","90","","90","","587.94","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0327","0.0261","","0.0399","0.0308","0.0308","","","","","","1.0307","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152132","6.224","0.0004","10.6879","0.0006","8.8554","0.0004","90","","106.7","0.004","90","","564.23","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 F O4 -","- C13 H13 F O4 -","- C26 H26 F2 O8 -","2","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0413","0.031","","0.0445","0.0309","0.0309","","","","","","1.1805","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152133","6.203","0.002","13.362","0.005","18.973","0.007","90","","106.802","0.01","90","","1505.4","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N4 O -","- C17 H16 N4 O -","- C68 H64 N16 O4 -","4","1","","Han, Feng; Yang, Lei; Li, Zhen; Xia, Chungu","Acidic-functionalized ionic liquid as an efficient, green and reusable catalyst for hetero-Michael addition of nitrogen, sulfur and oxygen nucleophiles to α,β-unsaturated ketones.","Organic & biomolecular chemistry","2012","10","2","346","354","10.1039/c1ob06346d","","","0.71073","MoKα","","0.0882","0.059","","","0.1615","0.185","","","","","","1.055","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152134","9.912","0.004","13.636","0.005","10.633","0.004","90","","104.257","0.005","90","","1392.9","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Han, Feng; Yang, Lei; Li, Zhen; Xia, Chungu","Acidic-functionalized ionic liquid as an efficient, green and reusable catalyst for hetero-Michael addition of nitrogen, sulfur and oxygen nucleophiles to α,β-unsaturated ketones.","Organic & biomolecular chemistry","2012","10","2","346","354","10.1039/c1ob06346d","","","0.71073","MoKα","","0.0696","0.0457","","","0.125","0.1423","","","","","","1.019","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152135","13.063","0.002","13.707","0.002","13.95","0.002","99.713","0.002","99.524","0.002","99.393","0.002","2380.7","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H57 N3 O21 -","- C42 H57 N3 O21 -","- C84 H114 N6 O42 -","2","1","","Nieto-García, Olaia; Lago-Santomé, Hugo; Cagide-Fagín, Fernando; Ortiz-Lara, Juan Carlos; Alonso, Ricardo","A formal [3+3]-annulation-based approach to pancratistatins: total synthesis of (±)-7-deoxy-pancratistatin and its 2-epi and 2,4-diepi analogues.","Organic & biomolecular chemistry","2012","10","4","825","834","10.1039/c1ob06374j","","","0.71069","MoKα","","0.1024","0.0501","","","0.1423","0.1755","","","","","","0.712","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152136","8.9268","0.0017","8.9385","0.0017","9.3112","0.0017","68.989","0.017","78.429","0.016","74.952","0.016","665","0.2","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C30 H46 N2 O4 -","2","1","","Gignoux, Camille; Newton, Annabella F.; Barthelme, Alexandre; Lewis, William; Alcaraz, Marie-Lyne; Stockman, Robert A.","Combining two-directional synthesis and tandem reactions: a short formal synthesis of halichlorine.","Organic & biomolecular chemistry","2012","10","1","67","69","10.1039/c1ob06380d","","","1.5418","CuKα","","0.0691","0.0666","","","0.1782","0.1796","","","","","","1.129","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152137","15.9979","0.0003","29.8312","0.0005","20.5629","0.0005","90","","105.044","0.003","90","","9477","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H111 Br2 Cl9 N4 O9 -","- C87 H96.3 Br2 Cl9 N4 O8 -","- C348 H385.2 Br8 Cl36 N16 O32 -","4","1","","El Moll, Hani; Sémeril, David; Matt, Dominique; Toupet, Loïc; Harrowfield, Jean-Jacques","Resorcin[4]arene-derived mono-, bis- and tetra-imidazolium salts as ligand precursors for Suzuki-Miyaura cross-coupling.","Organic & biomolecular chemistry","2012","10","2","372","382","10.1039/c1ob06404e","","","0.71073","MoKα","","0.2379","0.0955","","","0.2681","0.3073","","","","","","0.873","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152138","8.466","0.0003","7.2644","0.0002","22.2712","0.0007","90","","95.081","0.001","90","","1364.31","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sarpong13","sarpong13","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C60 H60 Cl4 N8 O4 -","4","1","","Hardin Narayan, Alison R.; Sarpong, Richmond","Indolizinones as synthetic scaffolds: fundamental reactivity and the relay of stereochemical information.","Organic & biomolecular chemistry","2012","10","1","70","78","10.1039/c1ob06423a","","","1.54178","CuKα","","0.0361","0.0353","","","0.0949","0.0956","","","","","","1.057","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7152139","22.2396","0.0013","12.8939","0.0007","10.309","0.0006","90","","110.568","0.003","90","","2767.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","sarpong18","sarpong18","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","","Hardin Narayan, Alison R.; Sarpong, Richmond","Indolizinones as synthetic scaffolds: fundamental reactivity and the relay of stereochemical information.","Organic & biomolecular chemistry","2012","10","1","70","78","10.1039/c1ob06423a","","","1.54178","CuKα","","0.0479","0.0465","","","0.1257","0.1274","","","","","","1.07","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7152140","13.908","0.002","11.0651","0.0018","12.376","0.002","90","","91.176","0.004","90","","1904.2","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Peng, Shiyong; Wang, Lei; Wang, Jian","Iron-catalyzed ene-type propargylation of diarylethylenes with propargyl alcohols.","Organic & biomolecular chemistry","2012","10","2","225","228","10.1039/c1ob06456h","","","0.71073","MoKα","","0.0607","0.0494","","","0.1195","0.1256","","","","","","1.049","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152141","16.337","0.002","9.364","0.002","36.071","0.003","90","","90","","90","","5518.1","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N4 S6 -","- C26 H24 N4 S6 -","- C208 H192 N32 S48 -","8","1","","Rivadehi, Shadi; Reid, Ellen F.; Hogan, Conor F.; Bhosale, Sheshanath V.; Langford, Steven J.","Fluoride-selective optical sensor based on the dipyrrolyl-tetrathiafulvalene chromophore.","Organic & biomolecular chemistry","2012","10","4","705","709","10.1039/c1ob06459b","","","0.77051","","","0.0374","0.0351","","","0.0986","0.1001","","","","","","1.061","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152142","13.215","0.003","14.889","0.003","17.81","0.004","89.02","0.03","85.32","0.03","65.87","0.03","3186.9","1.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H36 O3 -","- C42 H36 O3 -","- C168 H144 O12 -","4","2","","Yu, Jin-Tao; Huang, Zhi-Tang; Zheng, Qi-Yu","Synthesis, structure, fullerene-binding and resolution of C(3)-symmetric cavitands with rigid and deep cavities.","Organic & biomolecular chemistry","2012","10","7","1359","1364","10.1039/c1ob06465g","","","0.71073","MoKα","","0.1407","0.122","","","0.3169","0.33","","","","","","1.125","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152143","12.237","0.0013","7.6556","0.0008","12.237","0.0013","90","","108.92","","90","","1084.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N O2 -","- C15 H9 N O2 -","- C60 H36 N4 O8 -","4","1","","Xia, Ziming; Wang, Kuo; Zheng, Jiening; Ma, Zheyong; Jiang, Zhanguo; Wang, Xiaoxia; Lv, Xin","Copper-catalyzed domino intramolecular cyclization: a facile and efficient approach to polycyclic indole derivatives.","Organic & biomolecular chemistry","2012","10","8","1602","1611","10.1039/c1ob06488f","","","0.71073","MoKα","","0.1756","0.0983","","","0.2342","0.3158","","","","","","0.901","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152144","18.554","0.004","6.256","0.0015","13.851","0.003","90","","100.778","0.004","90","","1579.4","0.6","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4R,4aR,10bS)-4-(4-methoxyphenyl)-2,4,4a,5,6,10b-hexahydro-1H- benzo[f]isochromene","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Subba Reddy, B. V.; Borkar, Prashant; Yadav, J. S.; Purushotham Reddy, P.; Kunwar, A. C.; Sridhar, B.; Grée, René","Oxidative Prins and Prins/Friedel-Crafts cyclizations for the stereoselective synthesis of dioxabicycles and hexahydro-1H-benzo[f]isochromenes via the benzylic C-H activation.","Organic & biomolecular chemistry","2012","10","7","1349","1358","10.1039/c1ob06489d","","x-ray","0.71073","MoKα","","0.0798","0.0554","","","0.1105","0.1233","","","","","","1.12","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152145","6.1634","0.0006","11.2748","0.001","19.9532","0.0016","90","","90","","90","","1386.6","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C72 H52 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0759","0.0446","","","0.0848","0.0939","","","","","","0.99","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152146","13.5897","0.0004","11.4742","0.0003","10.2062","0.0003","90","","110.969","0.002","90","","1486.07","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl N3 O2 -","- C18 H12 Cl N3 O2 -","- C72 H48 Cl4 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0454","0.0347","","","0.0923","0.0971","","","","","","1.06","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152147","13.5332","0.0007","11.4883","0.0006","10.268","0.0005","90","","111.013","0.002","90","","1490.24","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0947","0.0494","","","0.1064","0.1206","","","","","","1.022","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152148","12.7467","0.0005","16.7588","0.0006","7.5184","0.0003","90","","105.053","0.002","90","","1550.97","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C80 H68 N12 O4 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0612","0.0443","","","0.1195","0.1272","","","","","","1.097","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152149","7.0888","0.0004","24.91","0.0013","8.8454","0.0004","90","","101.728","0.003","90","","1529.33","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl N3 O S -","- C17 H16 Cl N3 O S -","- C68 H64 Cl4 N12 O4 S4 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0673","0.0403","","","0.0855","0.0933","","","","","","1.047","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152150","6.3395","0.0002","7.8493","0.0003","31.3577","0.0012","90","","90","","90","","1560.38","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C72 H76 N12 O4 S4 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0498","0.0364","","","0.0772","0.0824","","","","","","1.031","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152151","9.934","0.0014","9.0722","0.0012","14.812","0.002","90","","104.519","0.003","90","","1292.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 N O7 S2 -","- C29 H25 N O7 S2 -","- C58 H50 N2 O14 S4 -","2","1","","Du, Zhiyun; Zhou, Chenggang; Gao, Yaojun; Ren, Qiao; Zhang, Kun; Cheng, Hansong; Wang, Wei; Wang, Jian","Expeditious diastereoselective construction of a thiochroman skeleton via a cinchona alkaloid-derived catalyst.","Organic & biomolecular chemistry","2012","10","1","36","39","10.1039/c1ob06497e","","","0.71073","MoKα","","0.0365","0.0355","","","0.0906","0.0915","","","","","","1.038","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152152","10.021","0.007","12.749","0.006","10.714","0.006","90","","90","","90","","1368.8","1.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Companyó, Xavier; Valero, Guillem; Pineda, Oriol; Calvet, Teresa; Font-Bardía, Mercè; Moyano, Albert; Rios, Ramon","Enantioselective organocatalytic oxyamination of unprotected 3-substituted oxindoles.","Organic & biomolecular chemistry","2012","10","2","431","439","10.1039/c1ob06503c","","","0.71073","MoKα","","0.0792","0.0571","","","0.1442","0.1577","","","","","","1.074","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152153","7.891","0.007","8.626","0.004","10.666","0.008","71.25","0.05","83.35","0.05","74.83","0.04","663.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","","Companyó, Xavier; Valero, Guillem; Pineda, Oriol; Calvet, Teresa; Font-Bardía, Mercè; Moyano, Albert; Rios, Ramon","Enantioselective organocatalytic oxyamination of unprotected 3-substituted oxindoles.","Organic & biomolecular chemistry","2012","10","2","431","439","10.1039/c1ob06503c","","","0.71073","MoKα","","0.1059","0.0634","","","0.1709","0.1886","","","","","","1.184","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152154","8.5579","0.0017","9.7108","0.0019","11.568","0.003","73.985","0.004","68.692","0.003","73.448","0.003","842.4","0.3","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 Br O5 -","- C18 H19 Br O5 -","- C36 H38 Br2 O10 -","2","1","","Pei, Cheng-Kui; Wu, Lei; Lian, Zhong; Shi, Min","DABCO-catalyzed regioselective cyclization reactions of β,γ-unsaturated α-ketophosphonates or β,γ-unsaturated α-ketoesters with allenic esters.","Organic & biomolecular chemistry","2012","10","1","171","180","10.1039/c1ob06507f","","","0.71073","MoKα","","0.0586","0.0438","","","0.1321","0.1445","","","","","","0.979","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152155","14.217","0.0014","7.484","0.0008","14.487","0.0015","90","","93.356","0.007","90","","1538.8","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","2","","Li, Xin; Xue, Xiao-Song; Liu, Cong; Wang, Bin; Tan, Bo-Xuan; Jin, Jia-Lu; Zhang, Yue-Yan; Dong, Nan; Cheng, Jin-Pei","Asymmetric Michael addition reactions of 3-substituted benzofuran-2(3H)-ones to nitroolefins catalyzed by a bifunctional tertiary-amine thiourea.","Organic & biomolecular chemistry","2012","10","2","413","420","10.1039/c1ob06518a","","","0.71075","MoKα","","0.0662","0.0487","","","0.0769","0.0837","","","","","","0.967","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152156","8.2333","0.0004","10.2275","0.0006","21.9756","0.0012","90","","92.507","0.002","90","","1848.71","0.17","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 I2 N2 -","- C20 H18 I2 N2 -","- C80 H72 I8 N8 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","","0.71073","MoKα","","0.0561","0.0532","","","0.1467","0.1482","","","","","","1.316","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152157","7.0749","0.0006","12.5777","0.0015","26.548","0.003","90","","90.531","0.012","90","","2362.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Br Cl3 I N2 -","- C21 H19 Br Cl3 I N2 -","- C84 H76 Br4 Cl12 I4 N8 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","","0.71073","MoKα","","0.053","0.0354","","","0.0904","0.0989","","","","","","1.049","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152158","12.3454","0.0012","10.2075","0.001","15.1939","0.0015","90","","91.473","0.01","90","","1914","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl I N2 O -","- C20 H20 Cl I N2 O -","- C80 H80 Cl4 I4 N8 O4 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","","0.71073","MoKα","","0.0277","0.0237","","","0.0692","0.071","","","","","","1.075","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152159","16.8192","0.0013","16.3863","0.0013","8.5845","0.0006","90","","90.086","0.003","90","","2365.9","0.3","90","2","90","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 I N3 O5 P -","- C23 H27 I N3 O5 P -","- C92 H108 I4 N12 O20 P4 -","4","1","","Cametti, Massimo; Raatikainen, Kari; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo; Resnati, Giuseppe","2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.","Organic & biomolecular chemistry","2012","10","7","1329","1333","10.1039/c1ob06524f","","x-ray","0.71073","MoKα","","0.0896","0.0617","","","0.1398","0.1559","","","","","","1.02","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152160","9.7632","0.0009","21.4713","0.0019","10.1143","0.0009","90","","111.853","0.002","90","","1967.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br F2 N2 -","- C23 H17 Br F2 N2 -","- C92 H68 Br4 F8 N8 -","4","1","","Zhu, Jiangtao; Xie, Haibo; Chen, Zixian; Li, Shan; Wu, Yongming","A detailed study of the intramolecular hydroamination of N-(ortho-alkynyl)aryl-N'-substituted trifluoroacetamidines and bromodifluoroacetamidines.","Organic & biomolecular chemistry","2012","10","3","516","523","10.1039/c1ob06528a","","","0.71073","MoKα","","0.0945","0.0538","","","0.1325","0.1461","","","","","","0.878","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152161","12.5433","0.0014","13.5672","0.0015","12.0025","0.0014","90","","107.766","0.002","90","","1945.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Br F2 N2 -","- C23 H17 Br F2 N2 -","- C92 H68 Br4 F8 N8 -","4","1","","Zhu, Jiangtao; Xie, Haibo; Chen, Zixian; Li, Shan; Wu, Yongming","A detailed study of the intramolecular hydroamination of N-(ortho-alkynyl)aryl-N'-substituted trifluoroacetamidines and bromodifluoroacetamidines.","Organic & biomolecular chemistry","2012","10","3","516","523","10.1039/c1ob06528a","","","0.71073","MoKα","","0.0797","0.0454","","","0.1041","0.1106","","","","","","0.888","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152162","9.67","0.002","9.854","0.002","11.723","0.003","81.755","0.004","85.472","0.004","62.643","0.004","981.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 F3 N2 O -","- C23 H17 F3 N2 O -","- C46 H34 F6 N4 O2 -","2","1","","Zhu, Jiangtao; Xie, Haibo; Chen, Zixian; Li, Shan; Wu, Yongming","A detailed study of the intramolecular hydroamination of N-(ortho-alkynyl)aryl-N'-substituted trifluoroacetamidines and bromodifluoroacetamidines.","Organic & biomolecular chemistry","2012","10","3","516","523","10.1039/c1ob06528a","","","0.71073","MoKα","","0.115","0.0662","","","0.1634","0.1972","","","","","","0.86","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152163","18.8187","0.0003","16.0647","0.0003","26.4451","0.0003","90","","93.062","0.001","90","","7983.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 Cl4 N8 O7 -","- C72 H110 Cl4 N8 O7 -","- C288 H440 Cl16 N32 O28 -","4","1","","Belén Jiménez, M; Alcázar, Victoria; Peláez, Rafael; Sanz, Francisca; Fuentes de Arriba, Angel L.; Caballero, M. Cruz","Bis-amidocarbazolyl urea receptor for short-chain dicarboxylate anions.","Organic & biomolecular chemistry","2012","10","6","1181","1185","10.1039/c1ob06540h","","","1.54178","CuKα","","0.0888","0.0715","","","0.218","0.24","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152164","27.892","0.003","17.134","0.0018","30.726","0.003","90","","94.856","0.005","90","","14631","3","373","2","373","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H108 Cl4 N8 O7 -","- C71 H108 Cl4 N8 O7 -","- C568 H864 Cl32 N64 O56 -","8","2","","Belén Jiménez, M; Alcázar, Victoria; Peláez, Rafael; Sanz, Francisca; Fuentes de Arriba, Angel L.; Caballero, M. Cruz","Bis-amidocarbazolyl urea receptor for short-chain dicarboxylate anions.","Organic & biomolecular chemistry","2012","10","6","1181","1185","10.1039/c1ob06540h","","","0.71073","MoKα","","0.2073","0.1454","","","0.3771","0.407","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152165","6.805","0.005","13.163","0.005","13.478","0.005","90","0.005","99.373","0.005","90","0.005","1191.2","1.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","- C52 H44 N4 O16 -","2","1","","Bhuniya, Rajib; Nanda, Samik","Enantiomeric scaffolding of α-tetralone and related scaffolds by EKR (enzymatic kinetic resolution) and stereoselective ketoreduction with ketoreductases.","Organic & biomolecular chemistry","2012","10","3","536","547","10.1039/c1ob06545a","","x-ray","0.71073","MoKα","","0.0973","0.0459","","","0.0823","0.1016","","","","","","0.985","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152166","6.717","0.003","7.176","0.003","12.147","0.004","99.024","0.011","99.364","0.012","91.872","0.011","569.5","0.4","293","","293","","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C25 H20 N2 O8 -","- C25 H20 N2 O8 -","- C25 H20 N2 O8 -","1","1","","Bhuniya, Rajib; Nanda, Samik","Enantiomeric scaffolding of α-tetralone and related scaffolds by EKR (enzymatic kinetic resolution) and stereoselective ketoreduction with ketoreductases.","Organic & biomolecular chemistry","2012","10","3","536","547","10.1039/c1ob06545a","","x-ray","0.71073","MoKα","","0.1285","0.0769","","","0.1893","0.2251","","","","","","0.997","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152167","5.7243","0.0003","18.0071","0.0008","11.168","0.0005","90","","96.429","0.004","90","","1143.94","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-N-(tert-butylcarbonyl)-3-phenylprolyl-(S)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C52 H66 N6 O6 -","2","1","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.0543","0.0325","","","0.0558","0.0594","","","","","","0.892","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152168","5.7726","0.0006","17.59","0.002","11.5824","0.0014","90","","96.205","0.01","90","","1169.2","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-N-(tert-butylcarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C52 H66 N6 O6 -","2","1","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.1006","0.0481","","","0.0871","0.0966","","","","","","0.86","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152169","9.5504","0.0003","25.2883","0.0007","10.0653","0.0003","90","","103.733","0.003","90","","2361.41","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butylcarbonyl)-3-phenylprolyl-(S)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C104 H132 N12 O12 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.049","0.0313","","","0.0567","0.0584","","","","","","0.851","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152170","9.67","0.0003","12.489","0.0005","19.8078","0.0007","90","","93.06","0.003","90","","2388.75","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butylcarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O3 -","- C26 H33 N3 O3 -","- C104 H132 N12 O12 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.0856","0.0546","","","0.0912","0.1037","","","","","","1.04","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152171","13.539","0.002","13.615","0.002","13.6874","0.0017","90","","97.139","0.0012","90","","2503.5","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N-(tert-butoxycarbonyl)-3-phenylprolyl-(R)-N'-methylphenylalaninamide","","- C26 H33 N3 O4 -","- C26 H33 N3 O4 -","- C104 H132 N12 O16 -","4","2","","Fatás, Paola; Jiménez, Ana I; Calaza, M. Isabel; Cativiela, Carlos","β-Phenylproline: the high β-turn forming propensity of proline combined with an aromatic side chain.","Organic & biomolecular chemistry","2012","10","3","640","651","10.1039/c1ob06561k","","","0.71073","MoKα","","0.1341","0.0558","","","0.0906","0.1083","","","","","","0.873","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152172","13.9784","0.0017","6.7384","0.0008","20.781","0.003","90","","106.778","0.003","90","","1874.1","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Br O4 -","- C24 H15 Br O4 -","- C96 H60 Br4 O16 -","4","1","","Jang, Yeong-Jiunn; Syu, Siang-en; Chen, Yu-Jhang; Yang, Mei-Chun; Lin, Wenwei","Syntheses of furo[3,4-c]coumarins and related furyl coumarin derivatives via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2012","10","4","843","847","10.1039/c1ob06571h","","","0.71073","MoKα","","0.0936","0.042","","","0.0757","0.0899","","","","","","0.984","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152173","8.9178","0.0008","11.7133","0.0011","12.8242","0.0011","100.054","0.001","104.185","0.001","108.823","0.001","1181.39","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H19 Br O3 -","- C33 H19 Br O3 -","- C66 H38 Br2 O6 -","2","1","","Jang, Yeong-Jiunn; Syu, Siang-en; Chen, Yu-Jhang; Yang, Mei-Chun; Lin, Wenwei","Syntheses of furo[3,4-c]coumarins and related furyl coumarin derivatives via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2012","10","4","843","847","10.1039/c1ob06571h","","","0.71073","MoKα","","0.0402","0.032","","","0.0734","0.0771","","","","","","1.013","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152174","11.4815","0.0014","17.5731","0.0015","10.472","0.001","90","","105.993","0.011","90","","2031.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","1","","Griffin, Karen; Montagne, Cyril; Hoang, Cam Thuy; Clarkson, Guy J.; Shipman, Michael","Lewis acid promoted intramolecular (3 + 2) 'cycloadditions' of methyleneaziridines with alkene and alkyne acceptors.","Organic & biomolecular chemistry","2012","10","5","1032","1039","10.1039/c1ob06578e","","","1.54184","CuKα","","0.0849","0.0746","","","0.2304","0.2554","","","","","","1.15","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152175","20.6692","0.0004","7.93121","0.00018","29.3363","0.0008","90","","90","","90","","4809.15","0.19","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H14 Cl3 O P S4 -","- C21 H14 Cl3 O P S4 -","- C168 H112 Cl24 O8 P8 S32 -","8","2","","Wan, Jun-Hua; Fang, Wei-Fen; Li, Yi-Bao; Xiao, Xu-Qiong; Zhang, Li-Hong; Xu, Zheng; Peng, Jia-Jian; Lai, Guo-Qiao","Phosphole modified pentathienoacene: Synthesis, electronic properties and self-assembly.","Organic & biomolecular chemistry","2012","10","7","1459","1466","10.1039/c1ob06584j","","","0.71073","MoKα","","0.0737","0.0576","","","0.141","0.1509","","","","","","1.025","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152176","5.4561","0.0002","7.8785","0.0003","14.0005","0.0007","90","","90.132","0.002","90","","601.82","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C30 H22 Cl2 O4 -","2","1","","Allen, Joseph C.; Kociok-Köhn, Gabriele; Frost, Christopher G.","Rhodium-catalysed enantioselective synthesis of 4-arylchroman-2-ones.","Organic & biomolecular chemistry","2012","10","1","32","35","10.1039/c1ob06586f","","","0.71073","MoKα","","0.05","0.0377","","","0.0906","0.0975","","","","","","1.078","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152177","5.5511","0.0001","15.6885","0.0003","25.0161","0.0007","90","","90","","90","","2178.61","0.08","150","","150","","","","","","","","synthetic","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C104 H72 Br8 N16 -","8","1","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.0875","0.0646","","0.1802","0.1629","0.1799","","","","","","0.9956","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152178","16.2188","0.0004","7.3588","0.0002","17.0482","0.0004","90","","104.047","0.0013","90","","1973.88","0.09","150","","150","","","","","","","","synthetic","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C88 H80 N16 S8 -","8","2","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.0568","0.0427","","0.1188","0.1061","0.1188","","","","","","0.928","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152179","5.135","0.0002","10.7533","0.0006","15.1732","0.0008","90","","94.763","0.003","90","","834.94","0.07","150","","150","","","","","","","","synthetic","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 N2 S -","- C7 H12 N2 S -","- C28 H48 N8 S4 -","4","1","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.079","0.0623","","0.1829","0.1697","0.1829","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152180","8.935","0.0018","20.224","0.004","11.92","0.002","90","","108.98","0.03","90","","2036.9","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C96 H84 N20 O8 -","4","1","","Wang, Xiao-Rong; Xing, Juan; Yan, Cai-Xia; Cheng, Ying","The reaction of β-lactam carbenes with 3,6-dipyridyltetrazines: switch of reaction pathways by 2-pyridyl and 4-pyridyl substituents of tetrazines.","Organic & biomolecular chemistry","2012","10","5","970","977","10.1039/c1ob06595e","","","0.71073","MoKα","","0.0635","0.0502","","","0.125","0.1367","","","","","","1.116","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152181","9.926","0.002","10.434","0.002","10.832","0.002","105.94","0.03","101.26","0.03","102.67","0.03","1012.7","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C48 H42 N10 O4 -","2","1","","Wang, Xiao-Rong; Xing, Juan; Yan, Cai-Xia; Cheng, Ying","The reaction of β-lactam carbenes with 3,6-dipyridyltetrazines: switch of reaction pathways by 2-pyridyl and 4-pyridyl substituents of tetrazines.","Organic & biomolecular chemistry","2012","10","5","970","977","10.1039/c1ob06595e","","","0.71073","MoKα","","0.0496","0.0359","","","0.0975","0.1036","","","","","","1.012","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152182","11.722","0.0017","11.809","0.0018","14.791","0.0018","96.802","0.008","93.368","0.002","119.634","0.009","1750.7","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.5 H44 N4 O4.5 -","- C40.5 H44 N4 O4.5 -","- C81 H88 N8 O9 -","2","1","","Wang, Xiao-Rong; Xing, Juan; Yan, Cai-Xia; Cheng, Ying","The reaction of β-lactam carbenes with 3,6-dipyridyltetrazines: switch of reaction pathways by 2-pyridyl and 4-pyridyl substituents of tetrazines.","Organic & biomolecular chemistry","2012","10","5","970","977","10.1039/c1ob06595e","","","0.71075","MoKα","","0.0748","0.0523","","","0.1545","0.1633","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152183","9.31","0.004","12.038","0.003","27.103","0.007","90","","90","","90","","3037.5","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 B O3 P2 -","- C32 H37 B O3 P2 -","- C128 H148 B4 O12 P8 -","4","1","","Boyd, Derek R.; Bell, Mark; Dunne, Katherine S.; Kelly, Brian; Stevenson, Paul J.; Malone, John F.; Allen, Christopher C. R.","Chemoenzymatic synthesis of a mixed phosphine-phosphine oxide catalyst and its application to asymmetric allylation of aldehydes and hydrogenation of alkenes.","Organic & biomolecular chemistry","2012","10","7","1388","1395","10.1039/c1ob06599h","","","0.71073","MoKα","","0.1624","0.0699","","","0.1765","0.2326","","","","","","0.976","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152184","9.2092","0.001","13.6899","0.0014","14.6484","0.0016","90.884","0.003","99.028","0.003","103.338","0.003","1772.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N11 O8 -","- C37 H33 N11 O8 -","- C74 H66 N22 O16 -","2","1","","Zhao, Huaiqing; Ong, Wei Qiang; Fang, Xiao; Zhou, Feng; Hii, Meng Ni; Li, Sam Fong Yau; Su, Haibin; Zeng, Huaqiang","Synthesis, structural investigation and computational modelling of water-binding aquafoldamers.","Organic & biomolecular chemistry","2012","10","6","1172","1180","10.1039/c1ob06609a","","","0.71073","MoKα","","0.0885","0.053","","","0.1169","0.1292","","","","","","0.961","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152185","7.037","0.004","12.336","0.006","13.346","0.007","76.67","0.009","76.633","0.009","83.431","0.009","1094.5","1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H20 O4 -","- C31 H20 O4 -","- C62 H40 O8 -","2","1","","Gong, Jian; Xie, Fuchun; Ren, Wenming; Chen, Hong; Hu, Youhong","Domino reactions of 2-methyl chromones containing an electron withdrawing group with chromone-fused dienes.","Organic & biomolecular chemistry","2012","10","3","486","489","10.1039/c1ob06613g","","","0.71073","MoKα","","0.1658","0.0766","","","0.1881","0.2406","","","","","","0.901","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152186","11.3442","0.0011","19.983","0.0018","13.8952","0.0013","90","","99.66","0.003","90","","3105.3","0.5","","","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","8-(5-cyano-3-methyl-6-(1-methyl-1H-indol-3-yl)-1-phenyl-1H-pyrazolo [3,4-b]pyridin-4-yl)-1-naphthoic acid","","","- C37 H30 N6 O3 -","- C37 H30 N6 O3 -","- C148 H120 N24 O12 -","4","1","","Hao, Yan; Xu, Xiao-Ping; Chen, Tao; Zhao, Li-Li; Ji, Shun-Jun","Multicomponent approaches to 8-carboxylnaphthyl-functionalized pyrazolo[3,4-b]pyridine derivatives.","Organic & biomolecular chemistry","2012","10","4","724","728","10.1039/c1ob06624b","","","","","","0.1144","0.0789","","","0.1621","0.181","","","","","","1.15","","","","has coordinates","288218","2023-12-11","20:45:25",""
"7152187","11.6327","0.0011","11.6667","0.001","15.0995","0.0013","90","","104.81","0.004","90","","1981.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H52 N6 S -","- C46 H52 N6 S -","- C92 H104 N12 S2 -","2","1","","Oh, Joong-Suk; Lee, Ji-Woong; Ryu, Tae Hee; Lee, Jae Heon; Song, Choong Eui","Self-association free bifunctional thiourea organocatalysts: synthesis of chiral α-amino acids via dynamic kinetic resolution of racemic azlactones.","Organic & biomolecular chemistry","2012","10","5","1052","1055","10.1039/c1ob06629c","","","0.71073","MoKα","","0.1018","0.0684","","","0.1819","0.2095","","","","","","1.026","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152188","5.812","0.0005","6.7788","0.0006","25.807","0.002","90","","90","","90","","1016.75","0.15","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br N O2 -","- C10 H12 Br N O2 -","- C40 H48 Br4 N4 O8 -","4","1","","Clerici, Paolo; Wennemers, Helma","Mono thiomalonates as thioester enolate equivalents‒enantioselective 1,4-addition reactions to nitroolefins under mild conditions.","Organic & biomolecular chemistry","2012","10","1","110","113","10.1039/c1ob06638b","","","0.71073","MoKα","","0.0412","0.0221","","0.0381","0.021","0.0205","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152189","12.9848","0.0017","17.0304","0.0017","24.393","0.003","90","","90","","90","","5394.2","1.1","298","2","298","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C44 H70 Al2 Br2 Cl4 N2 O4 -","- C44 H70 Al2 Br2 Cl4 N2 O4 -","- C176 H280 Al8 Br8 Cl16 N8 O16 -","4","0.5","","Wang, Chubei; Xu, Chao; Tan, Xiaosong; Peng, Hao; He, Hongwu","The asymmetric synthesis of chiral cyclic α-hydroxy phosphonates and quaternary cyclic α-hydroxy phosphonates.","Organic & biomolecular chemistry","2012","10","8","1680","1685","10.1039/c1ob06669b","","","0.71073","MoKα","","0.0612","0.0424","","","0.0947","0.0997","","","","","","0.934","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152190","8.581","0.0018","9.4511","0.0019","18.265","0.004","90","","90","","90","","1481.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br N2 O -","- C16 H13 Br N2 O -","- C64 H52 Br4 N8 O4 -","4","1","","Huang, Long; Wei, Yin; Shi, Min","Asymmetric substitutions of O-Boc-protected Morita-Baylis-Hillman adducts with pyrrole and indole derivatives.","Organic & biomolecular chemistry","2012","10","7","1396","1405","10.1039/c1ob06671d","","","0.71073","MoKα","","0.0576","0.0407","","","0.1105","0.1216","","","","","","1.033","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152191","11.5434","0.0008","11.2906","0.0008","12.3029","0.0009","90","","107.608","0.002","90","","1528.34","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","2","","Boobalan, Ramalingam; Chen, Chinpiao; Lee, Gene-Hsian","Camphor-based Schiff base ligand SBAIB: an enantioselective catalyst for addition of phenylacetylene to aldehydes.","Organic & biomolecular chemistry","2012","10","8","1625","1638","10.1039/c1ob06683h","","","0.71073","MoKα","","0.0684","0.053","","","0.1313","0.1417","","","","","","1.019","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152192","12.3538","0.0014","11.1227","0.0012","18.446","0.002","90","","91.746","0.001","90","","2533.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 9","3-(Dimethylisopropylsilyl)biphenyl-2-yl]diphenylphosphine","","- C29 H31 O0.47 P Si -","- C29 H31 O0.471 P Si -","- C116 H124 O1.884 P4 Si4 -","4","1","","Lunazzi, Lodovico; Mancinelli, Michele; Mazzanti, Andrea; Lepri, Susan; Ruzziconi, Renzo; Schlosser, Manfred","Rotational barriers of biphenyls having heavy heteroatoms as ortho-substituents: experimental and theoretical determination of steric effects.","Organic & biomolecular chemistry","2012","10","9","1847","1855","10.1039/c1ob06688a","","","0.71073","MoKα","","0.0474","0.0413","","","0.1099","0.1161","","","","","","1.033","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152193","12.3039","0.0019","11.128","0.0017","18.544","0.003","90","","91.632","0.002","90","","2538","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 10","3-(Dimethylisopropylsilyl)biphenyl-2-yl]diphenylphosphine oxide","","- C29 H31 O P Si -","- C29 H31 O P Si -","- C116 H124 O4 P4 Si4 -","4","1","","Lunazzi, Lodovico; Mancinelli, Michele; Mazzanti, Andrea; Lepri, Susan; Ruzziconi, Renzo; Schlosser, Manfred","Rotational barriers of biphenyls having heavy heteroatoms as ortho-substituents: experimental and theoretical determination of steric effects.","Organic & biomolecular chemistry","2012","10","9","1847","1855","10.1039/c1ob06688a","","","0.71073","MoKα","","0.0474","0.0374","","","0.0974","0.1052","","","","","","1.039","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152194","9.681","0.003","12.864","0.004","14.899","0.005","90","","90","","90","","1855.5","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C80 H100 N12 O12 -","4","1","","Znabet, Anass; Blanken, Sara; Janssen, Elwin; de Kanter, Frans J. J.; Helliwell, Madeleine; Turner, Nicholas J.; Ruijter, Eelco; Orru, Romano V. A.","Stereoselective synthesis of N-aryl proline amides by biotransformation-Ugi-Smiles sequence.","Organic & biomolecular chemistry","2012","10","5","941","944","10.1039/c1ob06699d","","","0.71073","MoKα","","0.0711","0.0592","","","0.0941","0.097","","","","","","1.278","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152195","8.4693","0.0008","19.713","0.003","22.265","0.002","90","","90","","90","","3717.3","0.7","291.15","","291.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H33 N O2 -","- C22 H33 N O2 -","- C176 H264 N8 O16 -","8","1","","Liu, Xiao-Yu; Cheng, Hang; Li, Xiao-Huan; Chen, Qiao-Hong; Xu, Liang; Wang, Feng-Peng","Oxidative dearomatization/intramolecular Diels-Alder cycloaddition cascade for the syntheses of (±)-atisine and (±)-isoazitine.","Organic & biomolecular chemistry","2012","10","7","1411","1417","10.1039/c1ob06704d","","","1.5418","CuKα","","0.0584","0.0451","","","0.12","0.129","","","","","","1.041","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152196","17.0172","0.0003","8.60512","0.00013","28.3901","0.0005","90","","91.4359","0.0017","90","","4156","0.12","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C208 H208 N16 O8 -","8","1","","Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme","Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.","Organic & biomolecular chemistry","2012","10","5","966","969","10.1039/c1ob06751f","","","1.54184","CuKα","","0.0457","0.0406","","","0.1118","0.1174","","","","","","1.025","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152197","17.051","0.002","7.5405","0.0006","28.226","0.004","90","","93.201","0.01","90","","3623.4","0.7","220","","220","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C176 H192 N16 O24 -","8","1","","Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme","Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.","Organic & biomolecular chemistry","2012","10","5","966","969","10.1039/c1ob06751f","","","0.71073","MoKα","","0.0721","0.0667","","0.1015","0.1011","0.1015","","","","","","1.1573","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152198","14.113","0.006","14.919","0.005","19.801","0.005","90","","90","","90","","4169","2","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C192 H224 N16 O24 -","8","1","","Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme","Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.","Organic & biomolecular chemistry","2012","10","5","966","969","10.1039/c1ob06751f","","","0.71073","MoKα","","0.0576","0.0561","","0.1193","0.1189","0.1193","","","","","","0.9975","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152199","6.5535","0.0005","10.9957","0.001","14.1615","0.0013","100.817","0.005","101.782","0.005","99.966","0.004","957.23","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 O3 Si -","- C16 H32 O3 Si -","- C32 H64 O6 Si2 -","2","1","","Totobenazara, Jane; Haroun, Heloua; Rémond, Julien; Adil, Karim; Dénès, Fabrice; Lebreton, Jacques; Gaulon-Nourry, Catherine; Gosselin, Pascal","Tandem Payne/Meinwald versus Meinwald rearrangements on the α-hydroxy- or α-silyloxy-spiro epoxide skeleton.","Organic & biomolecular chemistry","2012","10","3","502","505","10.1039/c1ob06776a","","","0.71073","MoKα","","0.0895","0.0499","","","0.1473","0.1825","","","","","","1.085","","","","has coordinates,has disorder","180307","2020-10-21","18:00:00",""
"7152200","39.763","0.009","7.0246","0.0013","19.471","0.004","90","","105.495","0.013","90","","5241","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H34 N2 O8 Si -","- C23 H34 N2 O8 Si -","- C184 H272 N16 O64 Si8 -","8","1","","Totobenazara, Jane; Haroun, Heloua; Rémond, Julien; Adil, Karim; Dénès, Fabrice; Lebreton, Jacques; Gaulon-Nourry, Catherine; Gosselin, Pascal","Tandem Payne/Meinwald versus Meinwald rearrangements on the α-hydroxy- or α-silyloxy-spiro epoxide skeleton.","Organic & biomolecular chemistry","2012","10","3","502","505","10.1039/c1ob06776a","","","0.71073","MoKα","","0.1646","0.0619","","","0.1619","0.2201","","","","","","1.027","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152201","10.02411","0.00005","10.34453","0.00006","20.23764","0.00011","90","","90","","90","","2098.54","0.02","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 F3 N2 O5 S -","- C22 H17 F3 N2 O5 S -","- C88 H68 F12 N8 O20 S4 -","4","1","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.0283","0.027","","","0.07","0.0709","","","","","","1.049","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152202","21.382","0.002","21.382","0.002","10.7536","0.001","90","","90","","120","","4257.8","0.7","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C32.33 H42.33 I N2 O2 -","- C23 H21 I N2 O2 -","- C138 H126 I6 N12 O12 -","6","1","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.16","0.0916","","","0.2924","0.3676","","","","","","1.065","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152203","8.31659","0.00011","20.0565","0.0002","17.4123","0.0002","90","","95.0536","0.0012","90","","2893.11","0.06","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H25 F3 N2 O5 S -","- C34 H25 F3 N2 O5 S -","- C136 H100 F12 N8 O20 S4 -","4","2","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.0445","0.0388","","","0.0979","0.1013","","","","","","1.015","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152204","20.657","0.003","18.786","0.003","26.624","0.004","90","","97.992","0.005","90","","10231","3","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H128.5 N20 O50.25 S8 -","- C72 H122 N20 O50.25 S8 -","- C288 H488 N80 O201 S32 -","4","1","","Guo, Dong-Sheng; Zhang, Hong-Qing; Ding, Fei; Liu, Yu","Thermodynamic origins of selective binding affinity between p-sulfonatocalix[4,5]arenes with biguanidiniums.","Organic & biomolecular chemistry","2012","10","8","1527","1536","10.1039/c2ob06313a","","","0.71075","MoKα","","0.1042","0.0881","","","0.212","0.2279","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152205","15.129","0.003","12.14","0.002","33.206","0.007","90","","100.51","0.03","90","","5996","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H71 N10 O24.5 S4 -","- C48 H54 N10 O24.5 S4 -","- C192 H216 N40 O98 S16 -","4","1","","Guo, Dong-Sheng; Zhang, Hong-Qing; Ding, Fei; Liu, Yu","Thermodynamic origins of selective binding affinity between p-sulfonatocalix[4,5]arenes with biguanidiniums.","Organic & biomolecular chemistry","2012","10","8","1527","1536","10.1039/c2ob06313a","","","0.71073","MoKα","","0.1352","0.1116","","","0.2946","0.3058","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152206","14.299","0.0017","20.408","0.002","22.893","0.002","90","","107.014","0.006","90","","6388.1","1.1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H81.5 N12.5 O32 S5 -","- C45 H79.5 N12.5 O32 S5 -","- C180 H318 N50 O128 S20 -","4","1","","Guo, Dong-Sheng; Zhang, Hong-Qing; Ding, Fei; Liu, Yu","Thermodynamic origins of selective binding affinity between p-sulfonatocalix[4,5]arenes with biguanidiniums.","Organic & biomolecular chemistry","2012","10","8","1527","1536","10.1039/c2ob06313a","","","0.71075","MoKα","","0.0755","0.0655","","","0.1504","0.1559","","","","","","1.184","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152207","5.7098","0.0009","9.5517","0.0015","14.904","0.002","87.425","0.002","89.606","0.002","82.942","0.002","805.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","1","1","","Kodama, Koichi; Kanno, Ayaka; Sekine, Eriko; Hirose, Takuji","Enantioseparation of 1-arylethanols via a supramolecular chiral host consisting of N-(2-naphthoyl)-l-aspartic acid and an achiral diamine.","Organic & biomolecular chemistry","2012","10","9","1877","1882","10.1039/c2ob06475h","","","0.71073","MoKα","","0.0592","0.0587","","","0.1544","0.1556","","","","","","1.034","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152208","5.66","0.002","9.583","0.004","15.456","0.006","94.113","0.005","92.683","0.005","96.361","0.005","829.8","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H41 N3 O6 -","- C38 H41 N3 O6 -","- C38 H41 N3 O6 -","1","1","","Kodama, Koichi; Kanno, Ayaka; Sekine, Eriko; Hirose, Takuji","Enantioseparation of 1-arylethanols via a supramolecular chiral host consisting of N-(2-naphthoyl)-l-aspartic acid and an achiral diamine.","Organic & biomolecular chemistry","2012","10","9","1877","1882","10.1039/c2ob06475h","","","0.71073","MoKα","","0.0972","0.0863","","","0.2314","0.2513","","","","","","1.09","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152209","16.4826","0.0006","6.8123","0.0003","9.0139","0.0004","90","","90","","90","","1012.12","0.07","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","","Gharpure, Santosh J.; Vijayasree, U.; Reddy, S. Raja Bhushan","Stereoselective synthesis and applications of nitrogen substituted donor-acceptor cyclopropanes (N-DACs) in the divergent synthesis of azacycles.","Organic & biomolecular chemistry","2012","10","9","1735","1738","10.1039/c2ob06591f","","","0.71073","MoKα","","0.039","0.0332","","","0.0847","0.0889","","","","","","1.051","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152210","7.9762","0.0006","8.4759","0.0005","11.3641","0.0009","83.948","0.003","80.632","0.003","73.019","0.002","723.61","0.09","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H29 N O8 S2 -","- C29 H29 N O8 S2 -","- C29 H29 N O8 S2 -","1","1","","Gharpure, Santosh J.; Vijayasree, U.; Reddy, S. Raja Bhushan","Stereoselective synthesis and applications of nitrogen substituted donor-acceptor cyclopropanes (N-DACs) in the divergent synthesis of azacycles.","Organic & biomolecular chemistry","2012","10","9","1735","1738","10.1039/c2ob06591f","","","0.71073","MoKα","","0.0585","0.0471","","","0.1147","0.1246","","","","","","1.101","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152211","9.648","0.001","14.822","0.002","16.441","0.003","104.68","0.01","103.17","0.01","91.75","0.01","2204.8","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","(rac)-10a,10'a-bis(methylthio)octahydro-1H,1'H-5a,5'a-bidipyrrolo- [1,2-a:1',2'-d]pyrazine-5,5',10,10'(6H,6'H,10aH,10'aH)-tetraone","","- C22 H30.25 N4 O4.125 S2 -","- C22 H30.25 N4 O4.125 S2 -","- C88 H121 N16 O16.5 S8 -","4","2","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1058","0.0583","","","0.1246","0.1458","","","","","","1.012","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152212","6.43","0.001","11.207","0.002","21.269","0.003","90","","90","","90","","1532.7","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","hexadecahydropyrazino[1,2-a:4,5-a']diindole-6,13-dione","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C72 H104 N8 O8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1287","0.0779","","","0.1326","0.1481","","","","","","1.107","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152213","6.4416","0.0006","10.8045","0.0005","24.627","0.002","90","","90","","90","","1714","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dodecahydro-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-6,13(1H,7H)-dione","","- C18 H24 N2 O2 S2 -","- C18 H24 N2 O2 S2 -","- C72 H96 N8 O8 S8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0454","0.0353","","","0.0712","0.0745","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152214","9.1262","0.0009","9.6454","0.001","11.5103","0.0009","91.426","0.005","101.32","0.006","91.777","0.005","992.52","0.16","123","2","123","2","","","","","","","","5","P 1","P 1","1","","6a,13a-bis(methylthio)hexadecahydropyrazino[1,2-a:4,5-a']diindole-6,13-dione","","- C20 H30 N2 O2 S2 -","- C20 H30 N2 O2 S2 -","- C40 H60 N4 O4 S4 -","2","2","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1323","0.1008","","","0.2044","0.2264","","","","","","1.166","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152215","17.1844","0.0013","7.3729","0.0005","10.8107","0.0008","90","","105.732","0.003","90","","1318.39","0.17","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5a,10a-bis(methylthio)octahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione","","- C12 H18 N2 O2 S2 -","- C12 H18 N2 O2 S2 -","- C48 H72 N8 O8 S8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0588","0.0481","","","0.0985","0.1049","","","","","","1.138","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152216","11.4283","0.0001","17.1077","0.0002","19.3984","0.0002","90","","92.773","0.001","90","","3788.18","0.07","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2,7-bis(benzyloxy)tetrahydro-5a,10a-epidithiodipyrrolo[1,2-a:1',2'-d]- pyrazine-5,10(1H,6H)-dione and 2,7-bis(benzyloxy)tetrahydro-5a,10a-epitrithiodipyrrolo[1,2-a:1',2'-d]- pyrazine-5,10(1H,6H)-dione in the ration 2.69:0.31","","- C74 H74 Cl6 N6 O12 S6.31 -","- C74 H74 Cl6 N6 O12 S6.309 -","- C148 H148 Cl12 N12 O24 S12.618 -","2","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0833","0.0764","","","0.1791","0.1858","","","","","","1.031","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152217","19.2441","0.001","19.2441","0.001","14.2264","0.0011","90","","90","","90","","5268.5","0.6","110","2","110","2","","","","","","","","4","I 41","I 4bw","80","","","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C176 H288 N32 O48 -","16","2","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","0.71073","MoKα","","0.0613","0.0412","","","0.0915","0.1014","","","","","","1.013","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152218","5.6765","0.0004","10.5601","0.0009","15.2326","0.0011","80.631","0.007","85.199","0.005","75.014","0.005","869.46","0.12","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C34 H56 N4 O6 -","2","2","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","1.54178","CuKα","","0.0424","0.0372","","","0.0902","0.0923","","","","","","1.01","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152219","13.1883","0.0006","6.5039","0.0003","14.5084","0.0007","90","","100.899","0.003","90","","1222.02","0.1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Cl3 N3 O4 -","- C20 H30 Cl3 N3 O4 -","- C40 H60 Cl6 N6 O8 -","2","1","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","1.54178","CuKα","","0.0393","0.033","","","0.0755","0.0773","","","","","","1.006","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152220","9.2865","0.0005","10.1783","0.0005","12.8619","0.0007","86.696","0.002","80.581","0.002","63.553","0.002","1073.65","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H29 N3 O8 -","- C16 H29 N3 O8 -","- C32 H58 N6 O16 -","2","1","","Ji, Cong-Bin; Liu, Yun-Lin; Zhao, Xiao-Li; Guo, Yin-Long; Wang, Hao-Yang; Zhou, Jian","Direct amination of α-substituted nitroacetates using di-tert-butyl azodicarboxylate catalyzed by Hatakeyama's catalyst β-ICD.","Organic & biomolecular chemistry","2012","10","6","1158","1161","10.1039/c2ob06746c","","","0.71073","MoKα","","0.0599","0.039","","","0.0952","0.1107","","","","","","1.027","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152221","9.466","0.002","15.214","0.006","16.716","0.005","64.8","0.03","76.56","0.02","74.57","0.02","2080.1","1.2","293","2","293","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C49 H56 O3 -","- C49 H56 O3 -","- C98 H112 O6 -","2","1","","Yucel, Baris; Sanli, Bahar; Akbulut, Huseyin; Ozbey, Suheyla; Benniston, Andrew C.","Colour-responsive fluorescent oxy radical sensors.","Organic & biomolecular chemistry","2012","10","9","1775","1784","10.1039/c2ob06825g","","x-ray","0.71073","MoKα","","0.2268","0.0806","","","0.2198","0.2864","","","","","","0.999","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152222","8.1332","0.001","12.8039","0.0015","23.181","0.003","86.488","0.002","85.393","0.002","84.635","0.002","2392.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H36 N2 -","- C30 H36 N2 -","- C120 H144 N8 -","4","2","","Curiel, David; Sánchez, Guzmán; Ramírez de Arellano, Carmen; Tárraga, Alberto; Molina, Pedro","Combined study of anion recognition by a carbazole-based neutral tripodal receptor in a competitive environment.","Organic & biomolecular chemistry","2012","10","9","1896","1904","10.1039/c2ob06868k","","","0.71073","MoKα","","0.1367","0.0861","","","0.14","0.1571","","","","","","1.111","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152223","9.3619","0.0019","10.083","0.002","10.655","0.002","87.11","0.03","82.02","0.03","88.24","0.03","994.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N Si -","- C24 H23 N Si -","- C48 H46 N2 Si2 -","2","1","","Liang, Yun; Geng, Weizhi; Wei, Junnian; Ouyang, Kunbing; Xi, Zhenfeng","Palladium-catalyzed silyl C(sp(3))-H bond activation.","Organic & biomolecular chemistry","2012","10","8","1537","1542","10.1039/c2ob06941e","","","0.71073","MoKα","","0.1855","0.0664","","","0.1178","0.1398","","","","","","0.996","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152224","13.268","0.003","10.072","0.002","13.822","0.003","90","","91.6","0.03","90","","1846.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N Si -","- C23 H21 N Si -","- C92 H84 N4 Si4 -","4","1","","Liang, Yun; Geng, Weizhi; Wei, Junnian; Ouyang, Kunbing; Xi, Zhenfeng","Palladium-catalyzed silyl C(sp(3))-H bond activation.","Organic & biomolecular chemistry","2012","10","8","1537","1542","10.1039/c2ob06941e","","","0.71073","MoKα","","0.0965","0.0484","","","0.0865","0.0899","","","","","","1.004","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152225","12.4462","0.0002","13.975","0.0002","16.7998","0.0003","90","","110.205","0.002","90","","2742.27","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Cl3 N3 O3 -","- C31 H22 Cl3 N3 O3 -","- C124 H88 Cl12 N12 O12 -","4","1","","Yin, Xiao-Gang; Liu, Xin-Yun; Hu, Zhi-Peng; Yan, Ming","Efficient synthesis of multicyclic spirooxindoles via a cascade Michael/Michael/oxa-Michael reaction of curcumins and isatylidene malononitriles.","Organic & biomolecular chemistry","2012","10","8","1506","1509","10.1039/c2ob06995d","","","1.54184","CuKα","","0.0581","0.0447","","","0.115","0.1269","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152226","8.418","0.002","8.861","0.002","9.944","0.002","64.89","0.01","88.07","0.01","71.11","0.01","630.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","","Bodipati, Naganjaneyulu; Peddinti, Rama Krishna","Chemical generation of o-quinone monoimines for the rapid construction of 1,4-benzoxazine derivatives.","Organic & biomolecular chemistry","2012","10","10","1958","1961","10.1039/c2ob06681e","","","0.71073","MoKα","","0.0504","0.0474","","","0.1258","0.1295","","","","","","1.055","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152227","8.162","0.003","8.55","0.003","12.743","0.005","82.561","0.004","81.071","0.004","72.465","0.004","834.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 B F2 N3 -","- C20 H16 B F2 N3 -","- C40 H32 B2 F4 N6 -","2","1","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.1195","0.1015","","","0.3297","0.3389","","","","","","1.074","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152228","10.0277","0.0007","17.2775","0.0012","11.1652","0.0008","90","","94.161","0.001","90","","1929.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 B F2 N3 -","- C22 H20 B F2 N3 -","- C88 H80 B4 F8 N12 -","4","1","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.0684","0.0463","","","0.1624","0.1858","","","","","","1.08","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152229","36.086","0.017","13.768","0.007","7.995","0.004","90","","95.653","0.006","90","","3953","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 B F2 N3 O -","- C23 H20 B F2 N3 O -","- C184 H160 B8 F16 N24 O8 -","8","2","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.315","0.2648","","","0.7374","0.7801","","","","","","1.097","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152230","9.481","0.006","12.32","0.008","17.351","0.011","70.679","0.008","80.779","0.009","83.598","0.009","1884","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H21 N3 -","- C22 H21 N3 -","- C88 H84 N12 -","4","2","","Zhang, Min; Hao, Erhong; Zhou, Jinyuan; Yu, Changjiang; Bai, Guifeng; Wang, Fengyun; Jiao, Lijuan","Synthesis of pyrrolyldipyrrinato BF(2) complexes by oxidative nucleophilic substitution of boron dipyrromethene with pyrrole.","Organic & biomolecular chemistry","2012","10","10","2139","2145","10.1039/c2ob06689k","","","0.71073","MoKα","","0.228","0.1705","","","0.5341","0.5599","","","","","","1.085","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152231","11.934","0.002","14.466","0.003","12.536","0.002","90","","110.006","0.005","90","","2033.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Zhang, Xia; Ji, Jingjing; Zhu, Yingguang; Jing, Changcheng; Li, Ming; Hu, Wenhao","A highly diastereoselective three-component tandem 1,4-conjugated addition-cyclization reaction to multisubstituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","10","2133","2138","10.1039/c2ob06760a","","","0.71073","MoKα","","0.0851","0.0605","","","0.149","0.1752","","","","","","1.081","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152232","20.4538","0.0012","25.3853","0.0015","19.2348","0.0012","90","","90.229","0.001","90","","9987.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H41 Cl3 F12 P4 -","- C49 H41 Cl3 F12 P4 -","- C392 H328 Cl24 F96 P32 -","8","2","","Das, Priyadip; Kesharwani, Manoj K.; Mandal, Amal K.; Suresh, Eringathodi; Ganguly, Bishwajit; Das, Amitava","An alternative approach: a highly selective dual responding fluoride sensor having active methylene group as binding site().","Organic & biomolecular chemistry","2012","10","11","2263","2271","10.1039/c2ob06815j","","","0.71073","MoKα","","0.209","0.1336","","","0.2789","0.318","","","","","","1.115","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152233","10.0392","0.0008","15.7261","0.0012","16.0211","0.0011","81.667","0.005","82.511","0.005","79.608","0.006","2447.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C65.07 H48.13 Cl0.14 O5 -","- C65 H48 Cl0.137 O5 -","- C130 H96 Cl0.274 O10 -","2","1","","Hu, Jian-Yong; Ni, Xin-Long; Feng, Xing; Era, Masanao; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko","Highly emissive hand-shaped π-conjugated alkynylpyrenes: Synthesis, structures, and photophysical properties.","Organic & biomolecular chemistry","2012","10","11","2255","2262","10.1039/c2ob06865f","","","0.7749","synchrotron","","0.1125","0.0723","","","0.1876","0.2097","","","","","","1.035","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152234","14.6967","0.0005","21.036","0.0007","23.8819","0.0009","90","","90","","90","","7383.3","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C66 H100 Ag2 F12 O16 P2 -","- C66 H100 Ag2 F12 O16 P2 -","- C264 H400 Ag8 F48 O64 P8 -","4","0.5","","Helttunen, Kaisa; Moridi, Negar; Shahgaldian, Patrick; Nissinen, Maija","Resorcinarene bis-crown silver complexes and their application as antibacterial Langmuir-Blodgett films.","Organic & biomolecular chemistry","2012","10","10","2019","2025","10.1039/c2ob06920b","","","1.54178","CuKα","","0.0705","0.0503","","","0.1358","0.1526","","","","","","1.029","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152235","12.2817","0.0004","60.688","0.002","13.4217","0.0004","90","","97.516","0.002","90","","9917.9","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H148 Ag D12 F6 O16 P -","- C98 H160 Ag F6 O16 P -","- C392 H640 Ag4 F24 O64 P4 -","4","1","","Helttunen, Kaisa; Moridi, Negar; Shahgaldian, Patrick; Nissinen, Maija","Resorcinarene bis-crown silver complexes and their application as antibacterial Langmuir-Blodgett films.","Organic & biomolecular chemistry","2012","10","10","2019","2025","10.1039/c2ob06920b","","","1.54178","CuKα","","0.1846","0.0976","","","0.2245","0.2794","","","","","","1.019","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152236","8.8875","0.0011","13.7511","0.0017","15.0665","0.0019","64.753","0.002","77.356","0.003","74.412","0.002","1592.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Cyclo-bis-(urea-3,6-dichlorocarbazole)[TBA-acetate]","","- C62 H90 Cl4 N8 O6 -","- C62 H92 Cl4 N8 O6 -","- C62 H92 Cl4 N8 O6 -","1","0.5","","Ahmed, Nisar; Suresh, Vangaru; Shirinfar, Bahareh; Geronimo, Inacrist; Bist, Amita; Hwang, In-Chul; Kim, Kwang S.","Fluorogenic sensing of CH(3)CO(2)(-) and H(2)PO(4)(-) by ditopic receptor through conformational change.","Organic & biomolecular chemistry","2012","10","10","2094","2100","10.1039/c2ob06994f","","","0.71073","MoKα","","0.1184","0.0641","","","0.1584","0.2103","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152237","13.644","0.003","15.163","0.003","16.546","0.004","84.368","0.004","78.777","0.004","72.6","0.004","3201.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Cyclo-bis-(urea-3,6-dichlorocarbazole)2[(n-Bu)4NCl]","","- C58 H86 Cl6 N8 O2 -","- C58 H86 Cl6 N8 O2 -","- C116 H172 Cl12 N16 O4 -","2","1","","Ahmed, Nisar; Suresh, Vangaru; Shirinfar, Bahareh; Geronimo, Inacrist; Bist, Amita; Hwang, In-Chul; Kim, Kwang S.","Fluorogenic sensing of CH(3)CO(2)(-) and H(2)PO(4)(-) by ditopic receptor through conformational change.","Organic & biomolecular chemistry","2012","10","10","2094","2100","10.1039/c2ob06994f","","","0.71073","MoKα","","0.237","0.0773","","","0.1903","0.2824","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152238","16.5754","0.0005","16.5754","0.0005","7.5796","0.0005","90","","90","","120","","1803.45","0.14","100","","100","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","sumanene","sumanene","","- C21 H12 -","- C21 H12 -","- C126 H72 -","6","0.333333","","Mebs, Stefan; Weber, Manuela; Luger, Peter; Schmidt, Bernd M.; Sakurai, Hidehiro; Higashibayashi, Shuhei; Onogi, Satoru; Lentz, Dieter","Experimental electron density of sumanene, a bowl-shaped fullerene fragment; comparison with the related corannulene hydrocarbon.","Organic & biomolecular chemistry","2012","10","11","2218","2222","10.1039/c2ob07040e","","","0.71073","MoKα","","0.031","0.022","","","","0.046","0.036","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152239","8.4011","0.0007","10.0557","0.0008","13.0329","0.0015","74.541","0.007","78.907","0.007","76.897","0.006","1023.28","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H30 N2 -","- C24 H30 N2 -","- C48 H60 N4 -","2","1","","Trinchera, Piera; Musio, Biagia; Degennaro, Leonardo; Moliterni, Anna; Falcicchio, Aurelia; Luisi, Renzo","One-pot preparation of piperazines by regioselective ring-opening of non-activated arylaziridines.","Organic & biomolecular chemistry","2012","10","10","1962","1965","10.1039/c2ob07099e","","","0.71073","MoKα","","0.1402","0.0585","","","0.1212","0.1511","","","","","","0.984","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152240","9.783","0.003","13.775","0.003","12.7176","0.0012","90","","90.574","0.018","90","","1713.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N2 -","- C18 H20 Cl2 N2 -","- C72 H80 Cl8 N8 -","4","1","","Trinchera, Piera; Musio, Biagia; Degennaro, Leonardo; Moliterni, Anna; Falcicchio, Aurelia; Luisi, Renzo","One-pot preparation of piperazines by regioselective ring-opening of non-activated arylaziridines.","Organic & biomolecular chemistry","2012","10","10","1962","1965","10.1039/c2ob07099e","","","0.71073","MoKα","","0.2083","0.0594","","","0.0937","0.1287","","","","","","0.945","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152241","5.804","0.002","21.72","0.01","6.563","0.004","90","","113.508","0.004","90","","758.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N -","- C9 H11 N -","- C36 H44 N4 -","4","1","","Trinchera, Piera; Musio, Biagia; Degennaro, Leonardo; Moliterni, Anna; Falcicchio, Aurelia; Luisi, Renzo","One-pot preparation of piperazines by regioselective ring-opening of non-activated arylaziridines.","Organic & biomolecular chemistry","2012","10","10","1962","1965","10.1039/c2ob07099e","","","0.71073","MoKα","","0.1601","0.1174","","","0.3181","0.3582","","","","","","1.061","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152242","7.0214","0.0002","12.5519","0.0005","14.2927","0.0005","93.591","0.002","92.24","0.002","103.988","0.002","1217.98","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(Z)-((1-(4-bromophenyl)-4-(4-(tert-butyl)phenyl)but-1-en-3-yn- 1-yl)oxy)(tert-but","(Z)-((1-(4-bromophenyl)-4-(4-(tert-butyl)phenyl)but-1-en-3-yn-1-yl)oxy)(tert-butyl)dimethylsilane","","- C26 H33 Br O Si -","- C26 H33 Br O Si -","- C52 H66 Br2 O2 Si2 -","2","1","","Li, Yan; Wheeler, Kraig A.; Dembinski, Roman","Room temperature syntheses of entirely diverse substituted β-fluorofurans.","Organic & biomolecular chemistry","2012","10","12","2395","2408","10.1039/c1ob06693e","","","1.54178","CuKα","","0.0382","0.0352","","","0.0899","0.0967","","","","","","1.112","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152243","33.7073","0.0006","5.632","0.0001","14.5599","0.0003","90","","97.857","0.001","90","","2738.1","0.09","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-bromo-4-fluoro-2-(4-methylphenyl)-5-phenylfuran","3-bromo-4-fluoro-2-(4-methylphenyl)-5-phenylfuran","","- C17 H12 Br F O -","- C17 H12 Br F O -","- C136 H96 Br8 F8 O8 -","8","1","","Li, Yan; Wheeler, Kraig A.; Dembinski, Roman","Room temperature syntheses of entirely diverse substituted β-fluorofurans.","Organic & biomolecular chemistry","2012","10","12","2395","2408","10.1039/c1ob06693e","","","1.54178","CuKα","","0.0411","0.0342","","","0.0854","0.089","","","","","","1.098","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152244","13.0824","0.0006","5.1563","0.0002","26.5341","0.0012","90","","93.297","0.003","90","","1786.94","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-fluoro-5-(4-methylphenyl)-2-phenyl-4-(phenylethynyl)furan","3-fluoro-5-(4-methylphenyl)-2-phenyl-4-(phenylethynyl)furan","","- C25 H17 F O -","- C25 H17 F O -","- C100 H68 F4 O4 -","4","1","","Li, Yan; Wheeler, Kraig A.; Dembinski, Roman","Room temperature syntheses of entirely diverse substituted β-fluorofurans.","Organic & biomolecular chemistry","2012","10","12","2395","2408","10.1039/c1ob06693e","","","1.54178","CuKα","","0.0668","0.0384","","","0.0851","0.0962","","","","","","1.01","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152245","10.9716","0.0004","18.7546","0.0006","13.2194","0.0004","90","","101.595","0.003","90","","2664.62","0.15","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","rifampicin 1,1,1-trichloroethane solvate","","","- C47 H64 Cl6 N4 O12 -","- C47 H64 Cl6 N4 O12 -","- C94 H128 Cl12 N8 O24 -","2","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","0.71073","MoKα","","0.0803","0.0538","","","0.1389","0.1652","","","","","","1.052","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152246","13.8494","0.0006","17.4243","0.0007","20.0324","0.0009","90","","90","","90","","4834.1","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rifampicin methanol trisolvate dihydrate","","","- C45 H72 N4 O17 -","- C45 H72 N4 O17 -","- C180 H288 N16 O68 -","4","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","0.71073","MoKα","","0.0476","0.04","","","0.0948","0.0996","","","","","","1.046","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152247","9.2035","0.0001","20.0206","0.0001","13.8049","0.0001","90","","103.152","0.001","90","","2476.96","0.04","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H68 Cl2 N2 O15 -","- C45 H67.99 Cl2.01 N2 O15 -","- C90 H135.98 Cl4.02 N4 O30 -","2","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","1.54184","CuKα","","0.0472","0.0471","","","0.1382","0.1383","","","","","","1.058","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152248","10.0612","0.001","18.1279","0.0019","17.8048","0.0018","90","","98.285","0.003","90","","3213.5","0.6","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C76 H34 Br8 F4 N4 -","- C76 H34 Br8 F4 N4 -","- C152 H68 Br16 F8 N8 -","2","1","","Jiang, Xiu-Zhao; Cai, Chen-Xin; Liu, Jin-Tao; Uno, Hidemitsu","Novel syntheses and properties of meso-tetraaryl-octabromo-tetranaphtho[2,3]porphyrins (Ar(4)Br(8)TNPs).","Organic & biomolecular chemistry","2012","10","15","3110","3115","10.1039/c2ob00041e","","","0.71073","MoKα","","0.0593","0.0474","","","0.1225","0.1317","","","","","","1.033","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152249","10.913","0.002","10.913","0.002","81.73","0.03","90","","90","","120","","8429","4","293","2","293","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10- trihydroxy-1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12- trimethanotriphenylene x 2.5 H2O","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10-trihydroxy- 1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12-trimethanotriphenylene x 2.5 H2O","","- C30 H47 O5.5 -","- C30 H47 O5.5 -","- C360 H564 O66 -","12","1","","Fabris, Fabrizio; De Lucchi, Ottorino; Nardini, Ilaria; Crisma, Marco; Mazzanti, Andrea; Mason, Sax A.; Lemée-Cailleau, Marie-Hélène; Scaramuzzo, Francesca A.; Zonta, Cristiano","(+)-syn-Benzotriborneol an enantiopure C(3)-symmetric receptor for water.","Organic & biomolecular chemistry","2012","10","12","2464","2469","10.1039/c2ob06774a","","","1.54178","CuKα","","0.0645","0.0504","","","0.1316","0.1504","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152250","10.8602","0.001","10.8602","0.001","81.052","0.01","90","","90","","120","","8278.9","1.5","20","2","20","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10- trihydroxy-1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12- trimethanotriphenylene x 2.5 H2O","(1R,2R,4S,5R,6R,8S,9R,10R,12S)-3,4,7,8,11,12-hexahydro-2,6,10-trihydroxy- 1,5,9,13,13',14,14',15,15'-nonamethyl-1,4:5,8:9,12-trimethanotriphenylene x 2.5 H2O","","- C30 H47 O5.5 -","- C30 H46.73 O5.41 -","- C360 H560.76 O64.92 -","12","1","","Fabris, Fabrizio; De Lucchi, Ottorino; Nardini, Ilaria; Crisma, Marco; Mazzanti, Andrea; Mason, Sax A.; Lemée-Cailleau, Marie-Hélène; Scaramuzzo, Francesca A.; Zonta, Cristiano","(+)-syn-Benzotriborneol an enantiopure C(3)-symmetric receptor for water.","Organic & biomolecular chemistry","2012","10","12","2464","2469","10.1039/c2ob06774a","","neutron","1.4597","neutron","","0.0879","0.0795","","","0.1934","0.2032","","","","","","1.142","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152251","10.516","0.003","27.593","0.004","21.05","0.003","90","","97.919","0.003","90","","6050","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Val-Val-Ac6c-Leu-Val-Val-OMe","t-Butyloxycarbonyl-leucyl-valyl-valyl-(1-aminocyclohexan-1-oyl)-valyl- leucyl-valyl-valyl-methyl ester hemihydrate","","- C50 H90 N8 O11.5 -","- C50 H90 N8 O11.5 -","- C200 H360 N32 O46 -","4","2","","Chandrappa, Siddappa; Aravinda, Subrayashastry; Raghothama, Srinivasarao; Sonti, Rajesh; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Helix and hairpin nucleation in short peptides using centrally positioned conformationally constrained dipeptide segments.","Organic & biomolecular chemistry","2012","10","14","2815","2823","10.1039/c2ob06817f","","","0.71073","MoKα","","0.1204","0.0644","","","0.1573","0.1814","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152252","11.312","0.004","19.868","0.006","28.099","0.009","90","","90","","90","","6315","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-Ac6c-Val-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-(1-aminocyclohexan-1-oyl)-valyl- leucyl-phenylalanyl-valyl-methyl ester","","- C58 H90 N8 O11 -","- C58 H90 N8 O11 -","- C232 H360 N32 O44 -","4","1","","Chandrappa, Siddappa; Aravinda, Subrayashastry; Raghothama, Srinivasarao; Sonti, Rajesh; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Helix and hairpin nucleation in short peptides using centrally positioned conformationally constrained dipeptide segments.","Organic & biomolecular chemistry","2012","10","14","2815","2823","10.1039/c2ob06817f","","","0.71073","MoKα","","0.1279","0.0767","","","0.1619","0.1855","","","","","","1.075","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152253","19.837","0.001","15.2026","0.0008","6.3744","0.0004","90","","90","","90","","1922.35","0.18","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0856","0.0677","","","0.1644","0.1735","","","","","","0.943","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152254","8.9913","0.0007","19.6654","0.0014","11.4452","0.0009","90","","103.239","0.004","90","","1969.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 O4 -","- C23 H26 O4 -","- C92 H104 O16 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0923","0.0667","","","0.1815","0.1973","","","","","","1.064","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152255","12.0752","0.0003","15.397","0.0004","12.4647","0.0003","90","","104.391","0.001","90","","2244.74","0.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O5 -","- C25 H28 O5 -","- C100 H112 O20 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0759","0.0615","","","0.1806","0.2203","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152256","12.5282","0.0008","8.7884","0.0006","18.2013","0.0012","90","","94.582","0.002","90","","1997.6","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O4 -","- C23 H26 O4 -","- C92 H104 O16 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0967","0.0613","","","0.1695","0.2108","","","","","","1.373","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152257","10.68181","0.0001","11.93226","0.00015","25.6913","0.0003","90","","93.4477","0.0009","90","","3268.64","0.06","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Pyreneacetyl-diethylglycyl-diethylglycinate para-nitrobenzyl ester","","- C37 H39 N3 O6 -","- C37 H39 N3 O6 -","- C148 H156 N12 O24 -","4","1","","Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio","Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.","Organic & biomolecular chemistry","2012","10","12","2413","2421","10.1039/c2ob06863j","","","1.54178","CuKα","","0.0591","0.0539","","","0.1549","0.1621","","","","","","1.032","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152258","10.0556","0.0002","23.1736","0.0005","11.9038","0.0002","90","","98.01","0.002","90","","2746.81","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Pyreneacetyl-(Deg)5-O-pNO2Bzl","","- C55 H72 N6 O9 -","- C55 H72 N6 O9 -","- C110 H144 N12 O18 -","2","1","","Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio","Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.","Organic & biomolecular chemistry","2012","10","12","2413","2421","10.1039/c2ob06863j","","","1.54178","CuKα","","0.0705","0.0638","","","0.1774","0.188","","","","","","1.032","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152259","11.591","0.0008","12.462","0.0008","15.4573","0.0012","97.958","0.001","107.43","0.001","91.224","0.001","2105.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Pyreneacetyl-(Aib)5-OtBu","","- C42 H55 N5 O7 -","- C42 H55 N5 O7 -","- C84 H110 N10 O14 -","2","1","","Formaggio, Fernando; Crisma, Marco; Ballano, Gema; Peggion, Cristina; Venanzi, Mariano; Toniolo, Claudio","Novel peptide foldameric motifs: a step forward in our understanding of the fully-extended conformation/3(10)-helix coexistence.","Organic & biomolecular chemistry","2012","10","12","2413","2421","10.1039/c2ob06863j","","","1.54178","CuKα","","0.0559","0.0537","","","0.1598","0.1638","","","","","","1.031","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152260","14.584","0.002","10.5609","0.0014","15.24","0.002","90","","109.665","0.002","90","","2210.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N7 O2 -","- C24 H24 N7 O2 -","- C96 H96 N28 O8 -","4","1","","Hui, Pramiti; Arif, Khaja Md; Chandrasekar, Rajadurai","Syntheses, optical and intramolecular magnetic properties of mono- and di-radicals based on nitronyl-nitroxide and oxoverdazyl groups appended to 2,6-bispyrazolylpyridine cores.","Organic & biomolecular chemistry","2012","10","12","2439","2446","10.1039/c2ob06875c","","","0.71073","MoKα","","0.1084","0.0651","","","0.1373","0.1542","","","","","","1.042","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152261","9.4536","0.0019","9.3865","0.0019","21.293","0.004","90","","100.03","0.03","90","","1860.6","0.7","112","2","112","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F6 N3 O2 P -","- C19 H16 F6 N3 O2 P -","- C76 H64 F24 N12 O8 P4 -","4","1","","Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.","Synthesis and photophysical evaluation of a pyridinium 4-amino-1,8-naphthalimide derivative that upon intercalation displays preference for AT-rich double-stranded DNA.","Organic & biomolecular chemistry","2012","10","15","3033","3043","10.1039/c2ob06898b","","","0.71073","MoKα","","0.06","0.0548","","","0.1447","0.1512","","","","","","1.085","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152262","7.1563","0.001","8.3628","0.0012","10.5833","0.0015","90","","98.637","0.002","90","","626.19","0.15","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H19 N O7 -","- C11 H19 N O7 -","- C22 H38 N2 O14 -","2","1","","Chiou, Wen-Hua; Chen, Guei-Tang; Kao, Chien-Lun; Gao, Yu-Kai","Syntheses of (-)-pelletierine and (-)-homopipecolic acid.","Organic & biomolecular chemistry","2012","10","13","2518","2520","10.1039/c2ob06984a","","x-ray","0.71073","MoKα","","0.0353","0.0344","","","0.0965","0.0981","","","","","","1.063","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152263","11.257","0.002","5.2096","0.0009","22.234","0.004","90","","104.886","0.008","90","","1260.1","0.4","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Mitra, Prithiba; Shome, Brateen; Ranjan De, Saroj; Sarkar, Anindya; Mal, Dipakranjan","Stereoselective synthesis of hydroxy stilbenoids and styrenes by atom-efficient olefination with thiophthalides.","Organic & biomolecular chemistry","2012","10","14","2742","2752","10.1039/c2ob06991a","","x-ray","0.71073","MoKα","","0.0903","0.0611","","","0.1506","0.2047","","","","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152264","7.2317","0.0019","8.138","0.002","9.5","0.003","108.982","0.004","90.709","0.004","90.925","0.005","528.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O2 S -","- C12 H12 O2 S -","- C24 H24 O4 S2 -","2","1","","Mitra, Prithiba; Shome, Brateen; Ranjan De, Saroj; Sarkar, Anindya; Mal, Dipakranjan","Stereoselective synthesis of hydroxy stilbenoids and styrenes by atom-efficient olefination with thiophthalides.","Organic & biomolecular chemistry","2012","10","14","2742","2752","10.1039/c2ob06991a","","","0.71073","MoKα","","0.1034","0.068","","","0.1494","0.2205","","","","","","1.161","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152265","19.0051","0.0004","11.4052","0.0002","15.91","0.0003","90","","109.528","0.001","90","","3250.23","0.11","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C136 H168 N8 O24 S8 -","8","2","","O'Brien, Matthew; Leach, Andrew; Armstrong, Roly J.; Chong, Keting; Sheridan, Ross","Furanyl cyclic amines: a diastereoselective synthesis of 2,6-syn-disubstituted piperidines under thermodynamic control.","Organic & biomolecular chemistry","2012","10","12","2392","2394","10.1039/c2ob07008a","","","0.71073","MoKα","","0.0955","0.0513","","","0.1013","0.1166","","","","","","1.013","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152266","13.5209","0.0009","16.5318","0.0012","41.077","0.003","90","","90","","90","","9181.7","1.1","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C55 H43 Cl2 N2 O2 P S -","- C55 H43 Cl2 N2 O2 P S -","- C440 H344 Cl16 N16 O16 P8 S8 -","8","1","","Yuan, Zhiliang; Mei, Liangyong; Wei, Yin; Shi, Min; Kattamuri, Padmanabha V.; McDowell, Patrick; Li, Guigen","Asymmetric catalytic Mannich-type reaction of hydrazones with difluoroenoxysilanes using imidazoline-anchored phosphine ligand-zinc(ii) complexes.","Organic & biomolecular chemistry","2012","10","13","2509","2513","10.1039/c2ob07022g","","","0.71073","MoKα","","0.065","0.0472","","","0.0976","0.1032","","","","","","0.909","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152267","12.249","0.004","5.5446","0.0019","16.208","0.006","90","","104.895","0.004","90","","1063.8","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H16 Br2 F2 N2 O2 -","- C22 H16 Br2 F2 N2 O2 -","- C44 H32 Br4 F4 N4 O4 -","2","1","","Yuan, Zhiliang; Mei, Liangyong; Wei, Yin; Shi, Min; Kattamuri, Padmanabha V.; McDowell, Patrick; Li, Guigen","Asymmetric catalytic Mannich-type reaction of hydrazones with difluoroenoxysilanes using imidazoline-anchored phosphine ligand-zinc(ii) complexes.","Organic & biomolecular chemistry","2012","10","13","2509","2513","10.1039/c2ob07022g","","","0.71073","MoKα","","0.0677","0.0519","","","0.1386","0.1486","","","","","","1.064","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152268","10.0579","0.0008","40.788","0.003","10.7646","0.0009","90","","101.688","0.004","90","","4324.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H88 Cl6 N16 O11 -","- C90 H88 Cl6 N16 O11 -","- C180 H176 Cl12 N32 O22 -","2","0.5","","Bullough, Emma K.; Kilner, Colin A.; Little, Marc A.; Willans, Charlotte E.","Tetrakis(methylimidazole) and tetrakis(methylimidazolium) calix[4]arenes: competitive anion binding and deprotonation.","Organic & biomolecular chemistry","2012","10","14","2824","2829","10.1039/c2ob07025a","","","0.71073","MoKα","","0.0795","0.0488","","","0.0988","0.111","","","","","","1.031","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152269","17.58","0.002","39.483","0.005","11.7189","0.0015","90","","130.147","0.004","90","","6217.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C26 H37.5 Br2 N4 O4 -","- C26 H37.5 Br2 N4 O4 -","- C208 H300 Br16 N32 O32 -","8","1","","Bullough, Emma K.; Kilner, Colin A.; Little, Marc A.; Willans, Charlotte E.","Tetrakis(methylimidazole) and tetrakis(methylimidazolium) calix[4]arenes: competitive anion binding and deprotonation.","Organic & biomolecular chemistry","2012","10","14","2824","2829","10.1039/c2ob07025a","","","0.71073","MoKα","","0.1115","0.0628","","","0.178","0.2041","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152270","3.7806","0.0001","24.0853","0.0008","11.7506","0.0004","90","","97.413","0.002","90","","1061.03","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0631","0.0568","","","0.1375","0.1405","","","","","","1.065","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152271","7.0872","0.0002","17.7874","0.0005","25.4096","0.0006","90","","91.485","0.001","90","","3202.13","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","2","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0951","0.0546","","","0.1094","0.1237","","","","","","1.031","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152272","18.4597","0.0018","7.1537","0.0007","11.0986","0.0012","90","","98.355","0.006","90","","1450.1","0.3","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C68 H88 N8 O4 -","4","0.5","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0492","0.0419","","","0.1267","0.1332","","","","","","1.099","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152273","9.2174","0.0003","19.7268","0.0007","10.0151","0.0003","90","","110.322","0.002","90","","1707.69","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Br N2 O -","- C20 H19 Br N2 O -","- C80 H76 Br4 N8 O4 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0556","0.0335","","","0.0724","0.0781","","","","","","1.077","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152274","11.4766","0.0008","3.8102","0.0002","25.7302","0.0016","90","","94.941","0.004","90","","1120.95","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl N O -","- C14 H8 Cl N O -","- C56 H32 Cl4 N4 O4 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0532","0.0364","","","0.0936","0.0991","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152275","8.6083","0.0006","26.5181","0.0019","7.4938","0.0006","90","","98.838","0.004","90","","1690.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N2 O1.5 -","- C22 H19 N2 O1.5 -","- C88 H76 N8 O6 -","4","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0779","0.0475","","","0.1177","0.1286","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152276","9.987","0.0004","10.6502","0.0004","11.9022","0.0005","94.557","0.002","114.488","0.002","93.883","0.002","1141.35","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cl N3 O2 -","- C27 H24 Cl N3 O2 -","- C54 H48 Cl2 N6 O4 -","2","1","","Iaroshenko, Viktor O.; Knepper, Ingo; Zahid, Muhammad; Kuzora, Rene; Dudkin, Sergii; Villinger, Alexander; Langer, Peter","Efficient [5 + 1]-strategy for the assembly of 1,8-naphthyridin-4(1H)-ones by domino amination/conjugate addition reactions of 1-(2-chloropyridin-3-yl)prop-2-yn-1-ones with amines.","Organic & biomolecular chemistry","2012","10","15","2955","2959","10.1039/c2ob07030h","","","0.71073","MoKα","","0.0757","0.0437","","","0.1074","0.116","","","","","","1.043","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152277","8.0156","0.0002","8.4956","0.0004","19.4087","0.001","90","","90","","90","","1321.68","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.0825","0.0693","","","0.1803","0.194","","","","","","1.153","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152278","8.3229","0.0004","11.3609","0.0005","11.8761","0.0003","90","","90","","90","","1122.95","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.0442","0.0375","","","0.0911","0.0948","","","","","","1.071","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152279","7.2735","0.0003","9.0784","0.0002","21.1524","0.0008","90","","90","","90","","1396.73","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.053","0.0457","","","0.1216","0.1291","","","","","","1.068","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152280","8.553","0.002","13.788","0.004","20.858","0.008","88.838","0.014","86.545","0.014","73.382","0.012","2352.7","1.3","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H50 B2 Cl3 F4 N7 O4 -","- C51 H50 B2 Cl3 F4 N7 O4 -","- C102 H100 B4 Cl6 F8 N14 O8 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.0926","0.0649","","","0.1725","0.1949","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152281","8.341","0.003","12.445","0.006","20.303","0.008","79.279","0.015","85.683","0.013","80.571","0.015","2040.6","1.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H49 B Cl F6 N5 O2 -","- C45 H49 B Cl F6 N5 O2 -","- C90 H98 B2 Cl2 F12 N10 O4 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.1019","0.0662","","","0.1902","0.2129","","","","","","1.109","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152282","11.092","0.004","11.957","0.004","19.33","0.006","77.243","0.01","82.685","0.013","63.623","0.012","2238.8","1.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H57 B Cl3 F2 N5 O2 -","- C48 H57 B Cl3 F2 N5 O2 -","- C96 H114 B2 Cl6 F4 N10 O4 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.1207","0.0721","","","0.1711","0.1972","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152283","15.754","0.005","17.148","0.007","17.17","0.005","116.501","0.012","108.051","0.01","91.068","0.014","3879","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H100 B2 Cl N7 O4 -","- C90 H103 B2 Cl N7 O4 -","- C180 H206 B4 Cl2 N14 O8 -","2","1","","Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu","Solid-state supramolecular assemblies consisting of planar charged species.","Organic & biomolecular chemistry","2012","10","13","2603","2606","10.1039/c2ob07059f","","","0.71075","MoKα","","0.1546","0.0778","","","0.2066","0.2435","","","","","","1.012","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152284","5.7575","0.0003","10.4335","0.0005","14.3548","0.0007","74.944","0.001","84.193","0.001","77.533","0.001","812.14","0.07","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C40 H44 N4 -","2","1","","Vervisch, Karel; D'hooghe, Matthias; Törnroos, Karl W; De Kimpe, Norbert","Radical-mediated nitrile translocation as the key step in the stereoselective transformation of 2-(4-chloro-2-cyanobutyl)aziridines to methyl cis-(1-arylmethyl-4-phenylpiperidin-2-yl)acetates.","Organic & biomolecular chemistry","2012","10","16","3308","3314","10.1039/c2ob07062f","","","0.71073","MoKα","","0.0516","0.0458","","","0.1246","0.1293","","","","","","1.05","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152285","9.5044","0.0003","11.9561","0.0004","17.0346","0.0006","103.13","0.001","91.678","0.001","105.355","0.001","1809.58","0.11","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 N6 O11 Zn2 -","- C33 H38 N6 O11 Zn2 -","- C66 H76 N12 O22 Zn4 -","2","1","","Mistri, Tarun; Dolai, Malay; Chakraborty, Debrup; Khuda-Bukhsh, Anisur Rahman; Das, Kalyan Kumar; Ali, Mahammad","A highly selective and sensitive in vivo fluorosensor for zinc(ii) without cytotoxicity.","Organic & biomolecular chemistry","2012","10","12","2380","2384","10.1039/c2ob07084g","","","0.71073","MoKα","","0.0399","0.0306","","","0.0936","0.1096","","","","","","0.563","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152286","6.64749","0.00014","13.2825","0.0003","33.3205","0.0007","90","","90","","90","","2942.04","0.11","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Br2 N2 O9 -","- C29 H26 Br2 N2 O9 -","- C116 H104 Br8 N8 O36 -","4","1","","Komatsu, Yoshiyuki; Watanabe, Riki; Ikishima, Hideaki; Nakano, Keiji; Ichikawa, Yoshiyasu; Kotsuki, Hiyoshizo","Aminohydroxyacetone synthons: versatile intermediates for the organocatalytic asymmetric aldol reaction.","Organic & biomolecular chemistry","2012","10","15","2993","3001","10.1039/c2ob07107j","","","1.54187","CuKα","","","0.0592","","","","0.0723","","","","","","5.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152287","24.115","0.003","10.4602","0.0011","15.5022","0.0017","90","","95.746","0.002","90","","3890.7","0.8","133","2","133","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C176 H176 O48 -","8","1","","Li, Ende; Yao, Wenjun; Xie, Xin; Wang, Chengyu; Shao, Yushang; Li, Yanzhong","Gold-catalyzed efficient synthesis of 2,4-disubstituted furans from aryloxy-enynes.","Organic & biomolecular chemistry","2012","10","15","2960","2965","10.1039/c2ob07173h","","","0.71073","MoKα","","0.0453","0.0373","","","0.1052","0.1127","","","","","","1.007","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152288","9.225","0.002","12.144","0.003","14.886","0.004","74.73","0.01","78.29","0.02","83.99","0.04","1573","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","p-nitrophenyl-amino-ethylene-amido-rhodamine","","","- C36 H39 N5 O4 -","- C36 H39 N5 O4 -","- C72 H78 N10 O8 -","2","1","","Bag, Bamaprasad; Biswal, Biswonath","Alteration of selectivity in rhodamine based probes for Fe(iii) and Hg(ii) ion induced dual mode signalling responses.","Organic & biomolecular chemistry","2012","10","14","2733","2738","10.1039/c2ob07182g","","","0.71073","MoKα","","0.0811","0.0578","","","0.1632","0.1844","","","","","","1.046","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152289","13.4805","0.0004","20.3239","0.0006","24.982","0.0007","90","","90","","90","","6844.5","0.3","203","","203","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C105 H152 F18 N8 O43 Pd4 S6 Sm2 -","- C105 H144 F18 N8 O43 Pd4 S6 Sm2 -","- C210 H288 F36 N16 O86 Pd8 S12 Sm4 -","2","0.5","","Zhang, Guoqi","A heterotrimetallic Pd-Sm-Pd complex for asymmetric Friedel-Crafts alkylations of pyrroles with nitroalkenes.","Organic & biomolecular chemistry","2012","10","13","2534","2536","10.1039/c2ob25074h","","","0.71073","MoKα","","0.0973","0.0553","","0.0739","0.0549","0.0549","","","","","","1.0093","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152290","12.556","0.002","14.418","0.003","13.45","0.002","90","","101.806","0.003","90","","2383.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F2 O3 -","- C13 H14 F2 O3 -","- C104 H112 F16 O24 -","8","2","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0894","0.0574","","","0.1198","0.1317","","","","","","1.055","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152291","10.052","0.002","7.8441","0.0018","17.153","0.004","90","","106.959","0.003","90","","1293.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F2 O3 -","- C13 H16 F2 O3 -","- C52 H64 F8 O12 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0994","0.0622","","","0.133","0.1463","","","","","","1.086","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152292","7.046","0.003","16.235","0.007","24.642","0.011","90","","90","","90","","2819","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 F2 O3 -","- C14 H18 F2 O3 -","- C112 H144 F16 O24 -","8","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0712","0.0498","","","0.1087","0.1184","","","","","","1.042","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152293","7.953","0.003","20.19","0.008","9.179","0.004","90","","93.291","0.009","90","","1471.5","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 F2 O3 -","- C15 H20 F2 O3 -","- C60 H80 F8 O12 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.2035","0.0886","","","0.1417","0.1847","","","","","","0.846","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152294","8.402","0.003","9.71","0.004","19.088","0.007","90","","90","","90","","1557.3","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F2 N O2 -","- C18 H19 F2 N O2 -","- C72 H76 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0692","0.0512","","","0.0862","0.0919","","","","","","0.912","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152295","8.8405","0.0017","9.7476","0.0019","19.684","0.004","90","","90","","90","","1696.2","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 F2 N O2 -","- C19 H21 F2 N O2 -","- C76 H84 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0603","0.0497","","","0.0995","0.1055","","","","","","1.007","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152296","8.5802","0.0018","9.972","0.002","19.406","0.004","90","","90","","90","","1660.4","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F2 N O2 -","- C20 H21 F2 N O2 -","- C80 H84 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0477","0.0421","","","0.0954","0.0981","","","","","","1.034","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152297","10.9353","0.0015","12.0352","0.0017","12.4875","0.0017","73.716","0.001","67.727","0.001","83.617","0.001","1459.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Br N O3 -","- C37 H32 Br N O3 -","- C74 H64 Br2 N2 O6 -","2","1","","Kogiso, Toshitaka; Yamamoto, Kosuke; Suemune, Hiroshi; Usui, Kazuteru","Synthesis and characterization of 1,8-naphthalimide with [6]helicene skeleton.","Organic & biomolecular chemistry","2012","10","15","2934","2936","10.1039/c2ob25223f","","","0.71073","MoKα","","0.0527","0.0506","","","0.1526","0.1542","","","","","","1.067","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152298","10.8355","0.0004","12.6814","0.0005","24.4115","0.0008","90","","94.018","0.002","90","","3346.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 N3 O4 S2 -","- C36.006 H41.015 N3 O4 S2 -","- C144.024 H164.06 N12 O16 S8 -","4","1","","Namitharan, Kayambu; Pitchumani, Kasi","Cascade synthesis of bis-N-sulfonylcyclobutenes via Cu(i)/Lewis acid-catalyzed (3 + 2)/(2 + 2) cycloadditions: observation of aggregation-induced emission enhancement from restricted C[double bond, length as m-dash]N photoisomerization.","Organic & biomolecular chemistry","2012","10","15","2937","2941","10.1039/c2ob25226k","","","0.71073","MoKα","","0.0834","0.0456","","","0.1247","0.1574","","","","","","1.023","","","","has coordinates,has disorder","180308","2020-10-21","18:00:00",""
"7152299","7.298","0.0015","13.566","0.003","17.045","0.003","90","","90","","90","","1687.5","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Mijangos, Marco V.; González-Marrero, Joaquin; Miranda, Luis D.; Vincent-Ruz, Paulette; Lujan-Montelongo, Armando; Olivera-Díaz, Diana; Bautista, Elhiu; Ortega, Alfredo; de la Luz Campos-González, María; Gamez-Montaño, Rocio","Microwave-assisted C-3 selective oxidative radical alkylation of flavones.","Organic & biomolecular chemistry","2012","10","15","2946","2949","10.1039/c2ob25249j","","","0.71073","MoKα","","0.1069","0.051","","","0.0969","0.1156","","","","","","1","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152300","8.107","0.0011","12.105","0.0016","11.6138","0.0016","90","","101.055","0.002","90","","1118.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O6 -","- C22 H26 Br N O6 -","- C44 H52 Br2 N2 O12 -","2","1","","Xiao, Hua; Chai, Zhuo; Cao, Dongdong; Wang, Hongyu; Chen, Jinghao; Zhao, Gang","Highly enantioselective [4 + 2] cycloadditions of allenoates and dual activated olefins catalyzed by N-acyl aminophosphines.","Organic & biomolecular chemistry","2012","10","16","3195","3201","10.1039/c2ob25295c","","","0.71073","MoKα","","0.0745","0.0553","","","0.1301","0.1386","","","","","","0.92","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152301","7.366","0.0004","9.0252","0.0005","10.1518","0.0005","84.572","0.002","88.905","0.002","89.911","0.002","671.74","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C34 H26 N2 O6 -","2","1","","Zhou, Feng; Ding, Miao; Zhou, Jian","A catalytic metal-free Ritter reaction to 3-substituted 3-aminooxindoles.","Organic & biomolecular chemistry","2012","10","16","3178","3181","10.1039/c2ob25319d","","","0.71073","MoKα","","0.0554","0.0453","","","0.129","0.1378","","","","","","1.093","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152302","8.4697","0.0001","10.1103","0.0001","13.868","0.0001","90","","90","","90","","1187.53","0.02","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C40 H68 N4 O24 -","4","1","","Angelov, Plamen; Chau, Yui Kwan Sonia; Fryer, Paul J.; Moloney, Mark G.; Thompson, Amber L.; Trippier, Paul C.","Biomimetic synthesis, antibacterial activity and structure-activity properties of the pyroglutamate core of oxazolomycin.","Organic & biomolecular chemistry","2012","10","17","3472","3485","10.1039/c2ob00042c","","","1.5418","CuKα","","0.0226","0.0224","","0.0608","0.0607","0.0608","","","","","","0.9946","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152303","9.7787","0.0004","10.1274","0.0003","9.7756","0.0003","90","","108.505","0.004","90","","918.05","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C36 H46 N2 O14 -","2","1","","Angelov, Plamen; Chau, Yui Kwan Sonia; Fryer, Paul J.; Moloney, Mark G.; Thompson, Amber L.; Trippier, Paul C.","Biomimetic synthesis, antibacterial activity and structure-activity properties of the pyroglutamate core of oxazolomycin.","Organic & biomolecular chemistry","2012","10","17","3472","3485","10.1039/c2ob00042c","","","1.5418","CuKα","","0.0438","0.0371","","0.091","0.0865","0.091","","","","","","0.9889","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152304","7.0008","0.0002","9.0561","0.0002","24.0388","0.0005","90","","90","","90","","1524.06","0.06","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C64 H80 O32 -","8","1","","Naud, Sébastien; Macnaughton, Sarah J.; Dyson, Bryony S.; Woollaston, Daniel J.; Dallimore, Jonathan W. P.; Robertson, Jeremy","Conformational preferences of oxy-substituents in butenolide-tetrahydropyran spiroacetals and butenolide-piperidine spiro-N,O-acetals.","Organic & biomolecular chemistry","2012","10","17","3506","3518","10.1039/c2ob06849d","","","0.71073","MoKα","","0.0536","0.0363","","0.102","0.0972","0.102","","","","","","1.0222","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152305","7.5","0.0003","6.0089","0.0002","17.9334","0.0007","90","","94.8761","0.0015","90","","805.28","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C32 H40 O16 -","4","1","","Naud, Sébastien; Macnaughton, Sarah J.; Dyson, Bryony S.; Woollaston, Daniel J.; Dallimore, Jonathan W. P.; Robertson, Jeremy","Conformational preferences of oxy-substituents in butenolide-tetrahydropyran spiroacetals and butenolide-piperidine spiro-N,O-acetals.","Organic & biomolecular chemistry","2012","10","17","3506","3518","10.1039/c2ob06849d","","","0.71073","MoKα","","0.061","0.0484","","0.167","0.1581","0.167","","","","","","1.2426","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152306","10.7984","0.0002","14.414","0.0003","18.7238","0.0003","90","","104.773","0.0019","90","","2817.98","0.09","243","","243","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 -","- C34 H40 N2 -","- C136 H160 N8 -","4","1","","Mitkina, Tatiana; Stanglmair, Christoph; Setzer, Wolfgang; Gruber, Michael; Kisch, Horst; König, Burkhard","Visible light mediated homo- and heterocoupling of benzyl alcohols and benzyl amines on polycrystalline cadmium sulfide.","Organic & biomolecular chemistry","2012","10","17","3556","3561","10.1039/c2ob07053g","","x-ray","1.54184","CuKα","","0.061","0.0535","","","0.1576","0.1659","","","","","","1.052","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152307","8.3183","0.0002","25.3594","0.0006","10.8216","0.0002","90","","90.076","0.002","90","","2282.78","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 O5 -","- C30 H24 O5 -","- C120 H96 O20 -","4","1","","Zhu, Shugao; Wu, Luling; Huang, Xian","Palladium(0)-catalyzed cyclization of 1,6-diyn-3-yl carbonates with a nucleophilic functionality: efficient synthesis of polycyclic benzo[b]fluorene derivatives via allene intermediates.","Organic & biomolecular chemistry","2012","10","18","3696","3704","10.1039/c2ob07148g","","","0.71073","MoKα","","0.0555","0.0407","","","0.0976","0.1083","","","","","","0.878","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152308","15.678","0.0006","9.3043","0.0006","30.2382","0.0013","90","","104.663","0.002","90","","4267.3","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O6 -","- C26 H22 N2 O6 -","- C208 H176 N16 O48 -","8","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0503","0.0412","","","0.1113","0.1188","","","","","","1.032","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152309","5.1915","0.0001","12.1482","0.0003","20.353","0.0004","90","","91.797","0.001","90","","1282.98","0.05","296","2","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","2","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.056","0.0381","","","0.0858","0.0938","","","","","","1.043","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152310","9.2089","0.0002","15.1611","0.0004","12.0162","0.0002","90","","124.926","0.001","90","","1375.51","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0537","0.0445","","","0.1219","0.1286","","","","","","1.036","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152311","13.2402","0.0004","8.7479","0.0002","19.2827","0.0005","90","","123.821","0.002","90","","1855.46","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0884","0.0586","","","0.1126","0.124","","","","","","1.067","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152312","9.0404","0.0002","9.9839","0.0003","10.8814","0.0003","90.88","0.001","103.859","0.001","111.082","0.001","884.12","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C44 H54 N2 O6 -","2","1","","Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.","Organic & biomolecular chemistry","2012","10","18","3626","3635","10.1039/c2ob07158d","","","0.71073","MoKα","","0.0535","0.0457","","","0.1241","0.1299","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152313","15.562","0.006","10.686","0.004","15.625","0.006","90","","90","","90","","2598.4","1.7","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","Propionyl-(5,5'6,6'-Tetramethyl-3,3'-di-tert-butyl-1,1-biphenyl)phosphite","4,8-di-tert-butyl-1,2,10,11-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl propionate","","- C27 H37 O4 P -","- C27 H37 O4 P -","- C108 H148 O16 P4 -","4","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.","Organic & biomolecular chemistry","2012","10","18","3677","3688","10.1039/c2ob07164a","","","0.71075","MoKα","","0.1454","0.0919","","","0.2162","0.2483","","","","","","0.996","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152314","10.82","0.007","16.178","0.01","15.982","0.01","90","","98.366","0.017","90","","2768","3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenylacetyl-(5,5',6,6'-tetramethyl-3,3'-di-tert-butyl-1,1'-biphenyl-2,2'-diyl)phosphite","4,8-di-tert-butyl-1,2,10,11-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl 2-phenylacetate","","- C32 H39 O4 P -","- C32 H39 O4 P -","- C128 H156 O16 P4 -","4","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.","Organic & biomolecular chemistry","2012","10","18","3677","3688","10.1039/c2ob07164a","","","0.71075","MoKα","","0.2445","0.1477","","","0.3207","0.3668","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152315","10.232","0.003","12.846","0.004","13.644","0.002","78.15","0.02","68.93","0.02","86.69","0.02","1637.6","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","Phenylacetyl(3,3',5,5'-Tetra-tert-butyl-1,1'-biphenyl-2,2'-diyl)phosphite","2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl 2-phenylacetate","","- C36 H47 O4 P -","- C36 H47 O4 P -","- C72 H94 O8 P2 -","2","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.","Organic & biomolecular chemistry","2012","10","18","3677","3688","10.1039/c2ob07164a","","","0.71075","MoKα","","0.1038","0.0789","","","0.2018","0.2238","","","","","","1.066","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152316","16.1185","0.0006","5.7251","0.0002","24.3065","0.0009","90","","106.365","0.004","90","","2152.13","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 I O Se -","- C25 H21 I O Se -","- C100 H84 I4 O4 Se4 -","4","1","","Xu, Jianfeng; Zhu, Shugao; Wu, Luling; Huang, Xian","Chemoselective synthesis of highly substituted 1,2-allenyl ketones, furans, and 2-alkynyl ketones from reaction of lithium selenolates with 1-(1-alkynyl)cyclopropyl ketones and electrophiles.","Organic & biomolecular chemistry","2012","10","18","3705","3714","10.1039/c2ob25071c","","","0.71073","MoKα","","0.0564","0.0368","","","0.0816","0.0921","","","","","","1.039","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152317","8.7411","0.0002","10.8404","0.0002","11.3321","0.0002","94.6197","0.001","106.901","0.0011","91.5749","0.0012","1022.62","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N S2 -","- C24 H8 N S2 -","- C48 H16 N2 S4 -","2","1","","Balaji, Ganapathy; Della Pelle, Andrea M.; Popere, Bhooshan C.; Chandrasekaran, A.; Thayumanavan, S.","Synthesis and properties of thienopyrrole based heteroacenes - indolodibenzothienopyrrole and dicarbazolodithienopyrrole.","Organic & biomolecular chemistry","2012","10","17","3455","3462","10.1039/c2ob25087j","","","0.71073","MoKα","","0.0717","0.0692","","","0.1981","0.2003","","","","","","1.064","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152318","10.9704","0.0004","12.7453","0.0004","15.4994","0.0006","108.851","0.002","97.4139","0.0018","100.602","0.002","1974.07","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H47 N3 O4 S2 -","- C44 H39 N3 O4 S2 -","- C88 H78 N6 O8 S4 -","2","1","","Balaji, Ganapathy; Della Pelle, Andrea M.; Popere, Bhooshan C.; Chandrasekaran, A.; Thayumanavan, S.","Synthesis and properties of thienopyrrole based heteroacenes - indolodibenzothienopyrrole and dicarbazolodithienopyrrole.","Organic & biomolecular chemistry","2012","10","17","3455","3462","10.1039/c2ob25087j","","","0.71073","MoKα","","0.0779","0.0564","","","0.1501","0.1643","","","","","","1.041","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152319","6.8238","0.0002","11.0492","0.0003","16.3885","0.0004","90","","100.76","0.002","90","","1213.93","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O6 -","- C16 H12 O6 -","- C64 H48 O24 -","4","1","","Scaffidi, Adrian; Waters, Mark T.; Skelton, Brian W.; Bond, Charles S.; Sobolev, Alexandre N.; Bythell-Douglas, Rohan; McKinley, Allan J.; Dixon, Kingsley W.; Ghisalberti, Emilio L.; Smith, Steven M.; Flematti, Gavin R.","Solar irradiation of the seed germination stimulant karrikinolide produces two novel head-to-head cage dimers","Organic & Biomolecular Chemistry","2012","10","20","4069","","10.1039/c2ob25090j","","","0.71073","MoKα","","0.057","0.0393","","","0.1017","0.1062","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152320","17.021","0.0005","11.994","0.001","13.456","0.0005","90","","113.283","0.004","90","","2523.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O6 -","- C16 H12 O6 -","- C128 H96 O48 -","8","2","","Scaffidi, Adrian; Waters, Mark T.; Skelton, Brian W.; Bond, Charles S.; Sobolev, Alexandre N.; Bythell-Douglas, Rohan; McKinley, Allan J.; Dixon, Kingsley W.; Ghisalberti, Emilio L.; Smith, Steven M.; Flematti, Gavin R.","Solar irradiation of the seed germination stimulant karrikinolide produces two novel head-to-head cage dimers","Organic & Biomolecular Chemistry","2012","10","20","4069","","10.1039/c2ob25090j","","","0.71077","synchrotron","","0.3714","0.266","","","0.5261","0.5693","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152321","4.2571","0.0007","14.425","0.002","23.481","0.004","90","","90","","90","","1441.9","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Sun, Zhong-Xin; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade annulation reaction of o-vinylarylaldehydes with nitrosoarenes: one-step assembly of functionalized 2,3-benzoxazin-4-ones","Organic & Biomolecular Chemistry","2012","10","20","4088","","10.1039/c2ob25137j","","","0.71073","MoKα","","0.0521","0.044","","","0.1157","0.1209","","","","","","1.084","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152322","10.3319","0.0004","21.2699","0.0008","9.3647","0.0004","90","","120.648","0.002","90","","1770.5","0.13","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H20 I N O -","- C18 H20 I N O -","- C72 H80 I4 N4 O4 -","4","1","","Huang, Jing-Mei; Ye, Zhi-Jun; Chen, Dong-Song; Zhu, Hong","Iodine mediated/Brønsted acid-catalyzed dimerization of vinylarenes: a tandem reaction through Ritter trapping to produce N-(4-iodo-1,3-diarylbutyl) acetamides.","Organic & biomolecular chemistry","2012","10","18","3610","3612","10.1039/c2ob25142f","","","0.71073","MoKα","","0.0368","0.0339","","","0.0975","0.1084","","","","","","1.156","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152323","19.7487","0.0016","9.7599","0.0008","18.467","0.0012","90","","90","","90","","3559.4","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C176 H144 N16 O8 -","8","2","","Bhanuchandra, M.; Kuram, Malleswara Rao; Sahoo, Akhila K.","A convenient approach to β-heteroarylated (C-N bond) ketones from Cs(2)CO(3) promoted reaction between propargyl alcohols and nitrogen-heterocycles.","Organic & biomolecular chemistry","2012","10","17","3538","3555","10.1039/c2ob25165e","","","0.71073","MoKα","","0.1286","0.0554","","","0.0918","0.1178","","","","","","1.04","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152324","10.9862","0.0009","19.4309","0.0013","9.9118","0.0009","90","","115.173","0.01","90","","1914.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C96 H80 N8 O4 -","4","1","","Bhanuchandra, M.; Kuram, Malleswara Rao; Sahoo, Akhila K.","A convenient approach to β-heteroarylated (C-N bond) ketones from Cs(2)CO(3) promoted reaction between propargyl alcohols and nitrogen-heterocycles.","Organic & biomolecular chemistry","2012","10","17","3538","3555","10.1039/c2ob25165e","","","0.71073","MoKα","","0.062","0.0371","","","0.0962","0.1026","","","","","","1.068","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152325","10","0.0007","11.073","0.0007","10.832","0.002","90","","109.495","0.01","90","","1130.7","0.2","110","2","110","2","","","","","","","see text","7","P 1 21 1","P 2yb","4","CMN103F2","(2S,4S,5R)-3,4-Dimethyl-2-(α-(SFc)-trimethylsylanylferrocenyl)-5- phenyl-[1,3,2]oxazaphospholidine-2-oxide","","- C23 H30 Fe N O2 P Si -","- C23 H30 Fe N O2 P Si -","- C46 H60 Fe2 N2 O4 P2 Si2 -","2","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0383","0.0353","","","0.0727","0.0739","","","","","","1.054","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152326","12.0764","0.0012","13.3216","0.0013","17.3013","0.0016","90","","90","","90","","2783.4","0.5","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CHN130FM","","","- C32 H31 Fe N O2 P2 -","- C32 H31 Fe N O2 P2 -","- C128 H124 Fe4 N4 O8 P8 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0381","0.0321","","","0.072","0.0738","","","","","","0.98","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152327","10.1623","0.0009","12.0052","0.001","14.5445","0.0013","90","","90","","90","","1774.4","0.3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CMN82ff","","","- C20 H22 Fe N O2 P -","- C20 H22 Fe N O2 P -","- C80 H88 Fe4 N4 O8 P4 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0242","0.0232","","","0.0568","0.057","","","","","","1.036","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152328","5.817","0.0003","12.8442","0.0007","23.6728","0.0013","90","","90","","90","","1768.71","0.16","180","2","180","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Fe N O2 P -","- C20 H22 Fe N O2 P -","- C80 H88 Fe4 N4 O8 P4 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0334","0.0301","","","0.0711","0.0726","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152329","7.6377","0.0003","7.8225","0.0003","32.1299","0.001","93.748","0.002","91.221","0.002","109.094","0.002","1808.28","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","2","","Bennett, Nicholas J.; Elliott, Mark C.; Hewitt, Natalie L.; Kariuki, Benson M.; Morton, Clare A.; Raw, Steven A.; Tomasi, Simone","Diastereoselective alkylation reactions of 1-methylcyclohexa-2,5-diene-1-carboxylic acid","Organic & Biomolecular Chemistry","2012","10","19","3859","","10.1039/c2ob25211b","","","0.71073","MoKα","","0.105","0.0706","","","0.1381","0.1588","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152330","42.526","0.008","15.758","0.003","16.686","0.003","90","","90","","90","","11182","4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C59 H78 Cl2 O10 -","- C59 H78 Cl2 O10 -","- C472 H624 Cl16 O80 -","8","1","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.1516","0.1193","","","0.2971","0.3259","","","","","","1.096","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152331","21.897","0.004","21.54","0.004","25.2","0.005","90","","98.28","0.004","90","","11762","4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C119 H198 Cl2 O10 -","- C119 H198 Cl2 O10 -","- C476 H792 Cl8 O40 -","4","1","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.2188","0.1394","","","0.3347","0.3894","","","","","","1.508","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152332","12.2219","0.0011","14.486","0.0013","21.9366","0.0019","89.672","0.002","89.514","0.002","76.132","0.001","3770.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H118 F2 O10 -","- C79 H118 F2 O10 -","- C158 H236 F4 O20 -","2","1","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.1521","0.0911","","","0.2284","0.2913","","","","","","1.031","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152333","15.136","0.002","24.59","0.004","24.775","0.004","61.226","0.002","81.302","0.002","74.159","0.002","7773","2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H118 I2 O10 -","- C79 H118 I2 O10 -","- C316 H472 I8 O40 -","4","2","","Shu, Xiaoyan; Fan, Jiazeng; Li, Jian; Wang, Xiaoyang; Chen, Wei; Jia, Xueshun; Li, Chunju","Complexation of neutral 1,4-dihalobutanes with simple pillar[5]arenes that is dominated by dispersion forces.","Organic & biomolecular chemistry","2012","10","17","3393","3397","10.1039/c2ob25251a","","","0.71073","MoKα","","0.2447","0.197","","","0.494","0.5428","","","","","","2.082","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152334","7.5614","0.0005","11.1691","0.0007","20.0521","0.0013","90","","90","","90","","1693.48","0.19","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br N2 O4 S -","- C16 H15 Br N2 O4 S -","- C64 H60 Br4 N8 O16 S4 -","4","1","","Chen, Jie; Zhou, Ling; Yeung, Ying-Yeung","A highly enantioselective approach towards 2-substituted 3-bromopyrrolidines","Organic & Biomolecular Chemistry","2012","10","19","3808","","10.1039/c2ob25327e","","","0.71073","MoKα","","0.0484","0.0348","","","0.0726","0.0764","","","","","","0.954","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152335","7.4711","0.0007","11.1765","0.001","19.4619","0.0017","90","","90","","90","","1625.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br N2 O4 S2 -","- C14 H13 Br N2 O4 S2 -","- C56 H52 Br4 N8 O16 S8 -","4","1","","Chen, Jie; Zhou, Ling; Yeung, Ying-Yeung","A highly enantioselective approach towards 2-substituted 3-bromopyrrolidines","Organic & Biomolecular Chemistry","2012","10","19","3808","","10.1039/c2ob25327e","","","0.71073","MoKα","","0.0292","0.0269","","","0.0646","0.0656","","","","","","0.833","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152336","6.5782","0.0004","8.7302","0.0005","21.2398","0.0012","90","","90","","90","","1219.78","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O6 -","- C14 H15 N O6 -","- C56 H60 N4 O24 -","4","1","","Ahmad, Sajjad; Swift, Michael D.; Farrugia, Louis J.; Senn, Hans Martin; Sutherland, Andrew","Stereoselective synthesis of functionalised carbocyclic amides: construction of the syn-(4aS,10bS)-phenanthridone skeleton","Organic & Biomolecular Chemistry","2012","10","19","3937","","10.1039/c2ob25334h","","x-ray","0.71073","MoKα","","0.0372","0.0334","","","0.0839","0.0857","","","","","","1.083","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152337","9.5048","0.0003","18.9754","0.0006","19.2401","0.0007","90","","90","","90","","3470.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H20 N4 O6 S -","- C34 N O10 S -","- C136 N4 O40 S4 -","4","1","","Leermann, Timo; Broutin, Pierre-Emmanuel; Leroux, Frédéric R.; Colobert, Françoise","Construction of the biaryl-part of vancomycin aglycon via atropo-diastereoselective Suzuki‒Miyaura coupling","Organic & Biomolecular Chemistry","2012","10","20","4095","","10.1039/c2ob25373a","","","0.71073","MoKα","","0.0804","0.0714","","","0.1969","0.2074","","","","","","1.393","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152338","10.6718","0.0005","11.6816","0.0006","14.2167","0.0007","90","","111.935","0.001","90","","1644.01","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H41 N O9 S -","- C33 H41 N O9 S -","- C66 H82 N2 O18 S2 -","2","1","","Leermann, Timo; Broutin, Pierre-Emmanuel; Leroux, Frédéric R.; Colobert, Françoise","Construction of the biaryl-part of vancomycin aglycon via atropo-diastereoselective Suzuki‒Miyaura coupling","Organic & Biomolecular Chemistry","2012","10","20","4095","","10.1039/c2ob25373a","","","0.71073","MoKα","","0.0296","0.0268","","","0.0666","0.0686","","","","","","1.045","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152339","11.7222","0.0014","10.3371","0.0013","12.2852","0.0016","90","","98.752","0.002","90","","1471.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.0844","0.0546","","","0.1018","0.1144","","","","","","1.053","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152340","7.7625","0.0013","10.6733","0.0018","17.788","0.003","90","","97.621","0.002","90","","1460.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.1024","0.0521","","","0.1144","0.1402","","","","","","1.017","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152341","9.4618","0.0012","11.8536","0.0015","12.1246","0.0015","117.873","0.002","91.857","0.002","110.815","0.002","1090.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N O7 S -","- C23 H27 N O7 S -","- C46 H54 N2 O14 S2 -","2","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.0453","0.0365","","","0.1045","0.1118","","","","","","1.05","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152342","15.273","0.002","14.335","0.002","9.1567","0.0013","90","","90.0282","0.0021","90","","2004.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O6 S -","- C22 H23 N O6 S -","- C88 H92 N4 O24 S4 -","4","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine","Organic & Biomolecular Chemistry","2012","10","19","3812","","10.1039/c2ob25374g","","","0.71073","MoKα","","0.0481","0.0367","","","0.0948","0.102","","","","","","1.024","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152343","9.1092","0.0018","10.189","0.002","20.517","0.004","90","","90","","90","","1904.3","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O3 S -","- C21 H26 O3 S -","- C84 H104 O12 S4 -","4","1","","Gao, YuZhe; Wang, Xue; Sun, LiDong; Xie, LongGuan; Xu, XiaoHua","Zinc or indium-mediated Barbier-type allylation of aldehydes with 3-bromomethyl-5H-furan-2-one in aqueous media: an efficient synthesis method for α-methylene-γ-butyrolactone","Organic & Biomolecular Chemistry","2012","10","20","3991","","10.1039/c2ob25397f","","","0.71073","MoKα","","0.043","0.0352","","","0.0924","0.1176","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152344","9.1436","0.0018","19.925","0.004","10.386","0.002","90","","100.85","0.03","90","","1858.4","0.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O3 S -","- C21 H26 O3 S -","- C84 H104 O12 S4 -","4","1","","Gao, YuZhe; Wang, Xue; Sun, LiDong; Xie, LongGuan; Xu, XiaoHua","Zinc or indium-mediated Barbier-type allylation of aldehydes with 3-bromomethyl-5H-furan-2-one in aqueous media: an efficient synthesis method for α-methylene-γ-butyrolactone","Organic & Biomolecular Chemistry","2012","10","20","3991","","10.1039/c2ob25397f","","","0.71073","MoKα","","0.0403","0.0357","","","0.0948","0.0988","","","","","","1.071","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152345","11.486","0.0017","7.4766","0.0011","20.639","0.003","90","","95.97","0.003","90","","1762.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br N O3 S -","- C18 H18 Br N O3 S -","- C72 H72 Br4 N4 O12 S4 -","4","1","","Zhang, Di-Han; Du, Kang; Shi, Min","Gold(i)-catalyzed intramolecular hydroamination and ring-opening of sulfonamide-substituted 2-(arylmethylene)cyclopropylcarbinols.","Organic & biomolecular chemistry","2012","10","18","3763","3766","10.1039/c2ob25512j","","","0.71073","MoKα","","0.0912","0.0579","","","0.1295","0.1423","","","","","","1.092","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152346","9.7862","0.0003","11.6935","0.0004","18.199","0.0009","90","","97.545","0.001","90","","2064.57","0.14","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C92 H112 N8 O24 -","4","1","","Voskuhl, Jens; Waller, Mark; Bandaru, Sateesh; Tkachenko, Boryslav A.; Fregonese, Carlo; Wibbeling, Birgit; Schreiner, Peter R.; Ravoo, Bart Jan","Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin-nanodiamond inclusion complexes.","Organic & biomolecular chemistry","2012","10","23","4524","4530","10.1039/c2ob06915f","","","0.71073","MoKα","","0.0833","0.0609","","","0.1372","0.1539","","","","","","1.062","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152347","8.9831","0.0001","11.8982","0.0001","13.1146","0.0001","106.512","0.001","109.88","0.001","101.331","0.001","1195.17","0.03","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C54 H64 N4 O12 -","2","1","","Voskuhl, Jens; Waller, Mark; Bandaru, Sateesh; Tkachenko, Boryslav A.; Fregonese, Carlo; Wibbeling, Birgit; Schreiner, Peter R.; Ravoo, Bart Jan","Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin-nanodiamond inclusion complexes.","Organic & biomolecular chemistry","2012","10","23","4524","4530","10.1039/c2ob06915f","","","1.54178","CuKα","","0.0579","0.0492","","","0.1358","0.1456","","","","","","1.012","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152348","8.8685","0.0002","11.1349","0.0002","14.0791","0.0003","94.026","0.001","96.563","0.001","109.563","0.001","1292.7","0.05","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H36 N2 O6 -","- C31 H36 N2 O6 -","- C62 H72 N4 O12 -","2","1","","Voskuhl, Jens; Waller, Mark; Bandaru, Sateesh; Tkachenko, Boryslav A.; Fregonese, Carlo; Wibbeling, Birgit; Schreiner, Peter R.; Ravoo, Bart Jan","Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin-nanodiamond inclusion complexes.","Organic & biomolecular chemistry","2012","10","23","4524","4530","10.1039/c2ob06915f","","","0.71073","MoKα","","0.0725","0.0603","","","0.1447","0.1574","","","","","","1.023","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152349","7.3012","0.0002","9.1671","0.0002","21.9003","0.0004","90","","90","","90","","1465.81","0.06","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N O3 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Tchabanenko, Kirill; Sloan, Colleen; Bunetel, Yves-Mael; Mullen, Philip","Diastereoselective 1,3-dipolar cycloaddition of pyrylium ylides with chiral enamides.","Organic & biomolecular chemistry","2012","10","21","4215","4219","10.1039/c2ob07007c","","","0.71073","MOKα","","0.0633","0.055","","","0.1589","0.1669","","","","","","1.247","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152350","18.687","0.005","8.149","0.005","18.235","0.005","90","0.005","115.58","0.005","90","0.005","2504.7","1.8","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","azetidine","","","- C27 H33 N O2 S Si -","- C27 H33 N O2 S Si -","- C108 H132 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0623","0.0521","","","0.1137","0.1231","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152351","11.241","0.005","13.09","0.005","19.226","0.005","90","0.005","90","0.005","90","0.005","2829","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","trans allyl azetidine","","","- C30 H37 N O2 S Si -","- C30 H37 N O2 S Si -","- C120 H148 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0408","0.0381","","","0.0941","0.0967","","","","","","0.935","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152352","10.1607","0.0007","13.0737","0.001","22.9043","0.0017","90","","90","","90","","3042.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","benzyl pyrrolidine","","","- C34 H39 N O2 S Si -","- C34 H39 N O2 S Si -","- C136 H156 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71073","MoKα","","0.0432","0.0389","","","0.0914","0.0944","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152353","10.158","0.005","13.071","0.005","22.898","0.005","90","0.005","90","0.005","90","0.005","3040","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 N O2 S Si -","- C34 H39 N O2 S Si -","- C136 H156 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0744","0.0545","","","0.1093","0.1213","","","","","","1.01","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152354","9.969","0.005","10.025","0.005","29.109","0.005","90","0.005","90","0.005","90","0.005","2909","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","4-flurophenylpyrrolidine","","","- C33 H36 F N O2 S Si -","- C33 H36 F N O2 S Si -","- C132 H144 F4 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0607","0.0474","","","0.1039","0.1125","","","","","","1.015","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152355","13.4861","0.0014","8.3629","0.0009","14.9897","0.0016","90","","110.252","0.002","90","","1586.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","sulfoxide","","","- C35 H41 N O3 S Si -","- C35 H41 N O3 S Si -","- C70 H82 N2 O6 S2 Si2 -","2","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71073","MoKα","","0.0549","0.0462","","","0.103","0.1103","","","","","","1.026","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152356","8.458","0.005","36.758","0.005","9.963","0.005","90","0.005","90.409","0.005","90","0.005","3097","2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","REUT","","","- C34 H38 F N O3 S Si -","- C34 H38 F N O3 S Si -","- C136 H152 F4 N4 O12 S4 Si4 -","4","2","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.093","0.0643","","","0.1459","0.187","","","","","","1.015","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152357","16.8073","0.0004","9.1044","0.0002","23.0328","0.0005","90","","131.716","0.001","90","","2630.86","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N2 O3 S Si2 -","- C24 H32 N2 O3 S Si2 -","- C96 H128 N8 O12 S4 Si8 -","4","1","","Zhang, Bao; Wee, Andrew G. H.","Conformational, steric and electronic effects on the site- and chemoselectivity of the metal-catalyzed reaction of N-bis(trimethylsilyl)methyl, N-(2-indolyl)methyl α-diazoamides.","Organic & biomolecular chemistry","2012","10","23","4597","4608","10.1039/c2ob25103e","","","0.71073","MoKα","","0.0543","0.0403","","","0.0938","0.1019","","","","","","1.053","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152358","9.0478","0.0009","18.6125","0.0018","14.1521","0.0014","90","","96.359","0.001","90","","2368.6","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 N2 O4 S Si2 -","- C20 H32 N2 O4 S Si2 -","- C80 H128 N8 O16 S4 Si8 -","4","1","","Zhang, Bao; Wee, Andrew G. H.","Conformational, steric and electronic effects on the site- and chemoselectivity of the metal-catalyzed reaction of N-bis(trimethylsilyl)methyl, N-(2-indolyl)methyl α-diazoamides.","Organic & biomolecular chemistry","2012","10","23","4597","4608","10.1039/c2ob25103e","","","0.71073","MoKα","","0.0479","0.0403","","","0.1086","0.1152","","","","","","1.045","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152359","6.9084","0.0019","14.098","0.004","14.21","0.004","90","","90","","90","","1384","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br N O4 -","- C14 H14 Br N O4 -","- C56 H56 Br4 N4 O16 -","4","1","","Li, Wenyi; Liu, Xiaodong; Mao, Zhifeng; Chen, Qiao; Wang, Rui","New approach to the preparation of bicyclo octane derivatives via the enantioselective cascade reaction catalyzed by chiral diamine-Ni(OAc)(2) complex.","Organic & biomolecular chemistry","2012","10","24","4767","4773","10.1039/c2ob25135c","","","0.71073","MoKα","","0.056","0.0368","","","0.0675","0.0727","","","","","","0.982","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152360","9.7923","0.0014","8.0377","0.0011","14.52","0.002","90","","93.817","0.002","90","","1140.3","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O -","- C13 H18 N O -","- C52 H72 N4 O4 -","4","1","","Hsieh, Min-Tsang; Shia, Kak-Shan; Liu, Hsing-Jang; Kuo, Sheng-Chu","Palladium(ii) acetate mediated oxidative cyclization of ω-unsaturated α-cyano ketones for facile construction of methylenecyclohexane ring system.","Organic & biomolecular chemistry","2012","10","23","4609","4617","10.1039/c2ob25161b","","","0.71073","MoKα","","0.0699","0.0575","","","0.1757","0.1905","","","","","","1.095","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152361","13.1764","0.0014","7.0909","0.0007","19.046","0.002","90","","92.154","0.003","90","","1778.3","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N5 O4 -","- C18 H19 N5 O4 -","- C72 H76 N20 O16 -","4","1","","Hsieh, Min-Tsang; Shia, Kak-Shan; Liu, Hsing-Jang; Kuo, Sheng-Chu","Palladium(ii) acetate mediated oxidative cyclization of ω-unsaturated α-cyano ketones for facile construction of methylenecyclohexane ring system.","Organic & biomolecular chemistry","2012","10","23","4609","4617","10.1039/c2ob25161b","","","0.71073","MoKα","","0.131","0.0583","","","0.1055","0.1289","","","","","","0.908","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152362","14.605","0.004","6.1389","0.0017","20.396","0.005","90","","91.627","0.018","90","","1827.9","0.8","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C92 H76 N12 O12 -","4","1","","Maurya, Hardesh K.; Gautam, Sanjay K.; Pratap, Ramendra; Tandon, Vishnu K.; Kumar, Abhinav; Bajpai, Vikas; Kumar, Brijesh; Ram, Vishnu Ji","Sequential approach to the synthesis of 'U and Z' shaped polycyclic heteroarenes.","Organic & biomolecular chemistry","2012","10","25","4977","4986","10.1039/c2ob25173f","","","0.71073","MoKα","","0.0654","0.0398","","","0.0901","0.1022","","","","","","1.004","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152363","27.9648","0.0013","9.851","0.0006","34.664","0.0017","90","","101.179","0.004","90","","9368.1","0.9","140","1","140","1","","","","","","","","3","A 1 2/a 1","-A 2ya","15","cone-3","","","- C57 H66 O6 -","- C57 H66 O6 -","- C456 H528 O48 -","8","1","","Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine.","Organic & biomolecular chemistry","2012","10","23","4618","4626","10.1039/c2ob25177a","","","0.71073","Mo-Kα","","0.0872","0.0772","","","0.1336","0.1385","","","","","","1.243","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152364","11.6724","0.0011","14.7955","0.0009","16.7566","0.0018","97.92","0.007","98.124","0.008","105.744","0.007","2709.8","0.4","293","1","293","1","","","","","","","","4","P -1","-P 1","2","cone-5","","","- C54 H87 N3 O6 -","- C54 H87 N3 O6 -","- C108 H174 N6 O12 -","2","1","","Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine.","Organic & biomolecular chemistry","2012","10","23","4618","4626","10.1039/c2ob25177a","","","0.71073","Mo-Kα","","0.0759","0.0554","","","0.1463","0.1567","","","","","","1.061","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152365","11.1369","0.0019","18.913","0.003","4.0311","0.0007","90","","90","","90","","849.1","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Amino-2,8-dimethyl-6<i>H</i>-pyrimido[1,2-<i>a</i>][1,3,5]triazin-6-one","","- C8 H9 N5 O -","- C8 H9 N5 O -","- C32 H36 N20 O4 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0588","0.0527","","","0.1137","0.1169","","","","","","1.145","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152366","9.1448","0.0013","6.7638","0.001","22.369","0.003","90","","94.61","0.003","90","","1379.1","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 N5 O4 -","- C10 H19 N5 O4 -","- C40 H76 N20 O16 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0611","0.053","","","0.1473","0.1559","","","","","","1.079","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152367","7.4179","0.0009","11.2238","0.0015","17.288","0.002","90","","90","","90","","1439.3","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H20 N6 O -","- C14 H20 N6 O -","- C56 H80 N24 O4 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0519","0.0478","","","0.1168","0.1193","","","","","","1.061","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152368","8.5632","0.0003","11.8122","0.0004","10.9084","0.0004","90","","91.69","0.001","90","","1102.91","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 B N2 O6 -","- C20 H29 B N2 O6 -","- C40 H58 B2 N4 O12 -","2","1","","Martínez-Castro, Elisa; González-Benjumea, Alejandro; López, Oscar; Maya, Inés; Alvarez, Eleuterio; Fernández-Bolaños, José G","Intramolecular cyclization of alkoxyaminosugars: access to novel glycosidase inhibitor families.","Organic & biomolecular chemistry","2012","10","21","4220","4228","10.1039/c2ob25213a","","","0.71073","MoKα","","0.0368","0.0339","","","0.0863","0.0889","","","","","","1.033","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152369","29.5615","0.001","12.2972","0.0003","10.5852","0.0004","90","","110.902","0.004","90","","3594.7","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cl2 N2 O3 -","- C19 H16 Cl2 N2 O3 -","- C152 H128 Cl16 N16 O24 -","8","1","","Harding, Sarah L.; Savage, G. Paul","Facial selectivity induced by N-aryl atropisomerism in benzonitrile oxide cycloadditions with 4-methylene-2-oxazolidinones.","Organic & biomolecular chemistry","2012","10","24","4759","4766","10.1039/c2ob25271f","","","0.71073","MoKα","","0.0515","0.0385","","","0.0915","0.1002","","","","","","1.027","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152370","9.9538","0.0003","14.0904","0.0004","9.3597","0.0003","90","","105.647","0.003","90","","1264.08","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Harding, Sarah L.; Savage, G. Paul","Facial selectivity induced by N-aryl atropisomerism in benzonitrile oxide cycloadditions with 4-methylene-2-oxazolidinones.","Organic & biomolecular chemistry","2012","10","24","4759","4766","10.1039/c2ob25271f","","","0.71073","MoKα","","0.0574","0.0447","","","0.1184","0.128","","","","","","1.052","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152371","9.3763","0.0007","11.1992","0.0009","13.5473","0.0011","90","","107.455","0.002","90","","1357.06","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl4 Pd Sn -","- C8 H12 Cl4 Pd Sn -","- C32 H48 Cl16 Pd4 Sn4 -","4","1","","Das, Debjit; Pratihar, Sanjay; Roy, Ujjal Kanti; Mal, Dipakranjan; Roy, Sujit","First example of a heterobimetallic 'Pd-Sn' catalyst for direct activation of alcohol: efficient allylation, benzylation and propargylation of arenes, heteroarenes, active methylenes and allyl-Si nucleophiles.","Organic & biomolecular chemistry","2012","10","23","4537","4542","10.1039/c2ob25275a","","","0.71073","MoKα","","0.0348","0.0251","","","0.0542","0.0574","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7152372","25.2489","0.0006","15.9776","0.0003","7.6958","0.0001","90","","90","","90","","3104.62","0.1","293","2","293","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C29 H46 O5 Si2 -","- C29 H46 O5 Si2 -","- C116 H184 O20 Si8 -","4","1","","Dubois, Sébastien; Rodier, Fabien; Blanc, Romain; Rahmani, Raphaël; Héran, Virginie; Thibonnet, Jérôme; Commeiras, Laurent; Parrain, Jean-Luc","Dramatic influence of the substitution of alkylidene-5H-furan-2-ones in Diels-Alder cycloadditions with o-quinonedimethide as diene partner: en route to the CDEF polycyclic ring system of lactonamycin.","Organic & biomolecular chemistry","2012","10","24","4712","4719","10.1039/c2ob25299f","","x-ray","0.71073","MoKα","","0.0765","0.054","","","0.1436","0.1683","","","","","","1.183","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152373","8.569","0.0002","8.7336","0.0002","11.8798","0.0003","81.646","0.001","85.931","0.001","88.264","0.002","877.23","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N O5 P -","- C19 H18 N O5 P -","- C38 H36 N2 O10 P2 -","2","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0498","0.0408","","","0.0982","0.1037","","","","","","1.052","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152374","22.2526","0.0005","7.0132","0.0002","25.1963","0.0006","90","","106.297","0.002","90","","3774.19","0.17","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H20 N O5 P -","- C23 H20 N O5 P -","- C184 H160 N8 O40 P8 -","8","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0747","0.054","","","0.1035","0.1142","","","","","","1.092","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152375","12.4096","0.0003","9.6934","0.0002","27.4755","0.0007","90","","92.943","0.001","90","","3300.7","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl2 N O5 P -","- C15 H14 Cl2 N O5 P -","- C120 H112 Cl16 N8 O40 P8 -","8","2","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0838","0.0648","","","0.1204","0.1298","","","","","","1.144","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152376","3.7524","0.0007","12.666","0.003","21.009","0.004","90","","90","","90","","998.5","0.4","120","2","120","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","","","- C11 H5 Cl2 N O2 -","- C11 H5 Cl2 N O2 -","- C44 H20 Cl8 N4 O8 -","4","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0983","0.0842","","","0.2141","0.226","","","","","","1.078","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152377","10.344","0.004","13.082","0.005","14.935","0.006","85.488","0.009","83.72","0.008","80.284","0.009","1976.3","1.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H44 N4 O Si -","- C50 H44 N4 O Si -","- C100 H88 N8 O2 Si2 -","2","1","","Toganoh, Motoki; Yamamoto, Takaaki; Hihara, Takayoshi; Akimaru, Hisanori; Furuta, Hiroyuki","Regulation of NH-tautomerism in N-confused porphyrin by N-alkylation.","Organic & biomolecular chemistry","2012","10","22","4367","4374","10.1039/c2ob25351h","","","0.71069","MoKα","","0.1429","0.062","","","0.1426","0.1653","","","","","","0.854","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152378","10.881","0.004","12.396","0.005","14.261","0.006","84.614","0.014","73.106","0.011","74.751","0.013","1775.4","1.2","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 Cl2 N4 -","- C46 H34 Cl2 N4 -","- C92 H68 Cl4 N8 -","2","1","","Toganoh, Motoki; Yamamoto, Takaaki; Hihara, Takayoshi; Akimaru, Hisanori; Furuta, Hiroyuki","Regulation of NH-tautomerism in N-confused porphyrin by N-alkylation.","Organic & biomolecular chemistry","2012","10","22","4367","4374","10.1039/c2ob25351h","","","0.71075","MoKα","","0.0806","0.0696","","","0.1837","0.1934","","","","","","1.065","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152379","9.315","0.003","10.631","0.004","15.819","0.005","90","","90","","90","","1566.5","0.9","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br N2 O3 -","- C17 H13 Br N2 O3 -","- C68 H52 Br4 N8 O12 -","4","1","","Jia, Yang; Yang, Wen; Du, Da-Ming","Asymmetric Friedel-Crafts alkylation of indoles with 3-nitro-2H-chromenes catalyzed by diphenylamine-linked bis(oxazoline) and bis(thiazoline) Zn(II) complexes.","Organic & biomolecular chemistry","2012","10","24","4739","4746","10.1039/c2ob25360g","","","0.71073","MoKα","","0.0481","0.0291","","","0.0367","0.0377","","","","","","0.988","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7152380","7.106","0.003","14.861","0.003","11.691","0.003","90","","101.499","0.016","90","","1209.8","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Defaut, Benedicte; Parsons, Thomas B.; Spencer, Neil; Male, Louise; Kariuki, Benson M.; Grainger, Richard S.","Synthesis of the trans-hydrindane core of dictyoxetane.","Organic & biomolecular chemistry","2012","10","25","4926","4932","10.1039/c2ob25384d","","","1.54178","CuKα","","0.0735","0.0497","","","0.1273","0.1473","","","","","","1.068","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152381","10.0589","0.0001","10.5323","0.0001","12.3056","0.0001","90","","100.646","0.001","90","","1281.26","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O4 S -","- C13 H18 O4 S -","- C52 H72 O16 S4 -","4","1","","Defaut, Benedicte; Parsons, Thomas B.; Spencer, Neil; Male, Louise; Kariuki, Benson M.; Grainger, Richard S.","Synthesis of the trans-hydrindane core of dictyoxetane.","Organic & biomolecular chemistry","2012","10","25","4926","4932","10.1039/c2ob25384d","","","1.54178","CuKα","","0.0314","0.0306","","","0.0849","0.0857","","","","","","1.018","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152382","7.4247","0.0007","9.3395","0.0009","16.7423","0.0015","90","","90","","90","","1160.96","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C40 H60 N4 O24 -","4","1","","Kamimura, Akio; Miyazaki, Koichiro; Suzuki, Shuzo; Ishikawa, Shingo; Uno, Hidemitsu","Total synthesis of ent-calystegine B4 via nitro-Michael/aldol reaction.","Organic & biomolecular chemistry","2012","10","22","4362","4366","10.1039/c2ob25386k","","","0.7107","MoKα","","0.0342","0.0327","","","0.0823","0.0833","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152383","10.8043","0.0004","5.7743","0.0002","14.0245","0.0005","90","","110.062","0.0018","90","","821.86","0.05","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C30 H50 N2 O12 -","2","1","","Kamimura, Akio; Miyazaki, Koichiro; Suzuki, Shuzo; Ishikawa, Shingo; Uno, Hidemitsu","Total synthesis of ent-calystegine B4 via nitro-Michael/aldol reaction.","Organic & biomolecular chemistry","2012","10","22","4362","4366","10.1039/c2ob25386k","","","1.54187","CuKα","","","0.0341","","","","0.0902","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152384","11.0257","0.0006","7.5583","0.0004","14.7907","0.0009","90","","95.487","0.004","90","","1226.94","0.12","198","2","198","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H46 O2 -","- C27 H46 O2 -","- C54 H92 O4 -","2","1","","Saini, Ratni; Boland, Sebastian; Kataeva, Olga; Schmidt, Arndt W.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Stereoselective synthesis and hormonal activity of novel dafachronic acids and naturally occurring steroids isolated from corals.","Organic & biomolecular chemistry","2012","10","21","4159","4163","10.1039/c2ob25394a","","","0.71073","MoKα","","0.1005","0.0442","","","0.0837","0.0967","","","","","","0.829","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152385","11.658","0.003","6.105","0.002","17.568","0.005","90","","106.1","0.02","90","","1201.3","0.6","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H44 O2 -","- C27 H44 O2 -","- C54 H88 O4 -","2","1","","Saini, Ratni; Boland, Sebastian; Kataeva, Olga; Schmidt, Arndt W.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Stereoselective synthesis and hormonal activity of novel dafachronic acids and naturally occurring steroids isolated from corals.","Organic & biomolecular chemistry","2012","10","21","4159","4163","10.1039/c2ob25394a","","","0.71073","MoKα","","0.1092","0.0534","","","0.085","0.0957","","","","","","0.922","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152386","19.497","0.002","5.5899","0.0007","16.139","0.002","90","","106.361","0.003","90","","1687.7","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Shiva Kumar, K.; Rambabu, D.; Prasad, Bagineni; Mujahid, Mohammad; Krishna, G. Rama; Basaveswara Rao, M. V.; Malla Reddy, C.; Vanaja, G. R.; Kalle, Arunasree M.; Pal, Manojit","A new approach to construct a fused 2-ylidene chromene ring: highly regioselective synthesis of novel chromeno quinoxalines.","Organic & biomolecular chemistry","2012","10","24","4774","4781","10.1039/c2ob25416f","","","0.71073","MoKα","","0.0936","0.0579","","","0.1549","0.1905","","","","","","1.042","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152387","22.232","0.018","10.636","0.007","17.824","0.014","90","","133.986","0.007","90","","3032","4","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 N4 -","- C41 H32 N4 -","- C164 H128 N16 -","4","0.5","","Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi","Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.","Organic & biomolecular chemistry","2012","10","25","4943","4953","10.1039/c2ob25438g","","","0.7107","MoKα","","0.1551","0.1049","","","0.1825","0.2078","","","","","","1","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152388","8.513","0.002","23.17","0.006","11.837","0.003","90","","103.189","0.003","90","","2273.2","1","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl2 N2 O -","- C28 H22 Cl2 N2 O -","- C112 H88 Cl8 N8 O4 -","4","1","","Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi","Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.","Organic & biomolecular chemistry","2012","10","25","4943","4953","10.1039/c2ob25438g","","","0.7107","MoKα","","0.0637","0.0587","","","0.1159","0.1189","","","","","","1","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152389","25.97","0.02","4.887","0.004","11.168","0.009","90","","90","","90","","1417","2","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi","Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.","Organic & biomolecular chemistry","2012","10","25","4943","4953","10.1039/c2ob25438g","","","0.7107","MoKα","","0.0532","0.0522","","","0.114","0.1145","","","","","","1","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152390","5.5779","0.0005","10.4276","0.001","31.686","0.003","90","","90","","90","","1843","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O5 S -","- C18 H22 O5 S -","- C72 H88 O20 S4 -","4","1","","Pei, Cheng-Kui; Jiang, Yu; Shi, Min","Synthesis of optically active dihydropyrans from asymmetric [4 + 2] cycloaddition of β,γ-unsaturated α-ketoesters with allenic esters.","Organic & biomolecular chemistry","2012","10","22","4355","4361","10.1039/c2ob25475a","","","0.71073","MoKα","","0.0495","0.0447","","","0.1151","0.1188","","","","","","1.075","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152391","13.71","0.005","13.748","0.005","11.855","0.005","90","0.005","100.854","0.005","90","0.005","2194.5","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C104 H100 N12 O8 -","4","1","","Lin, Shaoxia; Wei, Ying; Liang, Fushun; Zhao, Baozhong; Liu, Yanling; Liu, Pengjun","Multi-component anion relay cascade of 1-acetylcyclopropanecarboxamides, aldehydes and acrylonitrile: access to biscyanoethylated furo[3,2-c]pyridinones.","Organic & biomolecular chemistry","2012","10","23","4571","4576","10.1039/c2ob25550b","","","0.71073","MoKα","","0.1189","0.0454","","","0.0933","0.0993","","","","","","0.858","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152392","4.1304","0.0002","12.9948","0.0005","21.5358","0.0009","90","","90","","90","","1155.91","0.09","150","2","150","2","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C9 H7 I2 N3 O -","- C9 H7 I2 N3 O -","- C36 H28 I8 N12 O4 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0235","0.0228","","","0.0498","0.0502","","","","","","1.056","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152393","7.8011","0.0019","9.106","0.002","15.558","0.004","90","","90","","90","","1105.2","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 21 c n","P -2n 2a","33","","","","- C8 H4 Cl I2 N3 -","- C8 H4 Cl I2 N3 -","- C32 H16 Cl4 I8 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0182","0.0178","","","0.0386","0.0388","","","","","","1.048","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152394","4.3176","0.0003","13.3505","0.001","15.2661","0.0012","90","","90","","90","","879.97","0.11","150","2","150","2","","","","","","","synthesis as described","4","P c 21 n","P -2n -2ac","33","","","","- C8 H6 I N3 -","- C8 H6 I N3 -","- C32 H24 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0228","0.0183","","","0.0398","0.0419","","","","","","1.064","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152395","4.2056","0.0005","13.2551","0.0018","17.169","0.002","90","","90","","90","","957.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C8 H5 Cl I N3 -","- C8 H5 Cl I N3 -","- C32 H20 Cl4 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0196","0.0183","","","0.0418","0.0424","","","","","","1.056","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152396","10.3473","0.0015","7.1028","0.0008","15.555","0.002","90","","104.138","0.006","90","","1108.6","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I2 N3 -","- C9 H7 I2 N3 -","- C36 H28 I8 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0282","0.0249","","","0.0588","0.0603","","","","","","1.134","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152397","7.7817","0.0006","10.5301","0.0008","14.2726","0.0011","79.833","0.004","89.092","0.004","80.124","0.004","1133.98","0.15","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C9 H7 I2 N3 O -","- C9 H7 I2 N3 O -","- C36 H28 I8 N12 O4 -","4","2","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.049","0.0374","","","0.0895","0.0968","","","","","","1.032","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152398","10.8653","0.0004","7.707","0.0002","13.2464","0.0005","90","","93.5294","0.0018","90","","1107.13","0.07","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cl I2 N3 -","- C8 H4 Cl I2 N3 -","- C32 H16 Cl4 I8 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0243","0.0224","","","0.056","0.0567","","","","","","1.277","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152399","7.993","0.002","14.366","0.004","8.736","0.002","90","","94.686","0.013","90","","999.8","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 I N3 -","- C9 H8 I N3 -","- C36 H32 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0373","0.0337","","","0.0783","0.0799","","","","","","1.095","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152400","5.3015","0.0002","12.8502","0.0005","25.7032","0.0009","90","","90","","90","","1751.04","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-fluorophenyl)-5-(4-methylbenzyl)-3-phenyl-1H-pyrazole","","- C23 H19 F N2 -","- C23 H19 F N2 -","- C92 H76 F4 N8 -","4","1","","Borkin, Dmitry A.; Puscau, Mirela; Carlson, Alena; Solan, Agnes; Wheeler, Kraig A.; Török, Béla; Dembinski, Roman","Synthesis of diversely 1,3,5-trisubstituted pyrazoles via 5-exo-dig cyclization.","Organic & biomolecular chemistry","2012","10","23","4505","4508","10.1039/c2ob25580d","","","1.54178","CuKα","","0.0398","0.0333","","","0.0767","0.0799","","","","","","1.041","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152401","7.5034","0.0002","12.2919","0.0004","13.0178","0.0004","90","","90","","90","","1200.65","0.06","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","SAW694 IC-1","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Warren, Sarah A.; Stokes, Stephen; Frampton, Christopher S.; White, Andrew J. P.; Spivey, Alan C.","Synthesis of anti and syn hydroxy-iso-evoninic acids.","Organic & biomolecular chemistry","2012","10","24","4685","4688","10.1039/c2ob25625h","","","1.54178","CuKα","","0.0338","0.0302","","","0.0734","0.076","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152402","5.97836","0.00004","12.6707","0.00007","15.76352","0.00009","90","","90","","90","","1194.09","0.012","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Warren, Sarah A.; Stokes, Stephen; Frampton, Christopher S.; White, Andrew J. P.; Spivey, Alan C.","Synthesis of anti and syn hydroxy-iso-evoninic acids.","Organic & biomolecular chemistry","2012","10","24","4685","4688","10.1039/c2ob25625h","","","1.54184","CuKα","","0.0264","0.0262","","","0.0723","0.0726","","","","","","1.049","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152403","5.6867","0.0002","10.1514","0.0004","22.3376","0.0009","85.717","0.002","83.067","0.002","84.035","0.002","1270.62","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 Cl3 O4 -","- C11 H9 Cl3 O4 -","- C44 H36 Cl12 O16 -","4","2","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0728","0.0436","","","0.0908","0.103","","","","","","1.032","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152404","9.0784","0.0008","9.583","0.0007","9.3296","0.0009","90","","104.683","0.004","90","","785.15","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H24 O8 -","- C14 H24 O8 -","- C28 H48 O16 -","2","1","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0512","0.0393","","","0.0961","0.1047","","","","","","1.059","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152405","10.0094","0.0011","12.121","0.001","12.9524","0.0012","90","","90","","90","","1571.4","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 O8 -","- C14 H24 O8 -","- C56 H96 O32 -","4","1","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0552","0.0389","","","0.0923","0.0991","","","","","","1.078","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152406","8.7884","0.0005","9.8407","0.0004","17.4343","0.001","79.265","0.003","85.517","0.004","66.444","0.003","1357.94","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","2","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.1091","0.0505","","","0.1171","0.1428","","","","","","0.998","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152407","7.8579","0.0009","10.1629","0.0011","11.0489","0.0012","90","","90.616","0.004","90","","882.3","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Zou, Juan; Pan, Lutai; Li, Qiji; Pu, Jianxin; Yao, Ping; Zhu, Min; Banas, Jeffrey A.; Zhang, Hongjie; Sun, Handong","Rubesanolides C-E: abietane diterpenoids isolated from Isodon rubescens and evaluation of their anti-biofilm activity.","Organic & biomolecular chemistry","2012","10","26","5039","5044","10.1039/c2ob25192b","","","0.71073","MoKα","","0.054","0.0486","","","0.131","0.1358","","","","","","1.051","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152408","6.6246","0.0001","16.0121","0.0002","16.5233","0.0002","90","","90","","90","","1752.69","0.04","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Zou, Juan; Pan, Lutai; Li, Qiji; Pu, Jianxin; Yao, Ping; Zhu, Min; Banas, Jeffrey A.; Zhang, Hongjie; Sun, Handong","Rubesanolides C-E: abietane diterpenoids isolated from Isodon rubescens and evaluation of their anti-biofilm activity.","Organic & biomolecular chemistry","2012","10","26","5039","5044","10.1039/c2ob25192b","","","1.54178","CuKα","","0.0339","0.0335","","","0.0948","0.0952","","","","","","1.086","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152409","10.19","0.0009","11.952","0.0011","14.064","0.0013","83.637","0.002","82.432","0.001","68.667","0.001","1577.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 Br Cl N7 O4 -","- C29 H29 Br Cl N7 O4 -","- C58 H58 Br2 Cl2 N14 O8 -","2","1","","Li, Jing; Yu, Yan; Tu, Man-Su; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","New domino heteroannulation of enaminones: synthesis of diverse fused naphthyridines.","Organic & biomolecular chemistry","2012","10","28","5361","5365","10.1039/c2ob25349f","","","0.71073","MoKα","","0.2931","0.1395","","","0.3371","0.4255","","","","","","1.039","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152410","13.63","0.0005","10.2681","0.0003","22.3237","0.0006","90","","119.548","0.002","90","","2717.96","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N P2 S -","- C30 H33 N P2 S -","- C120 H132 N4 P8 S4 -","4","1","","El Hajjouji, Hajar; Belmonte, Eva; García-López, Jesús; Fernández, Ignacio; Iglesias, María José; Roces, Laura; García-Granda, Santiago; El Laghdach, Anas; López Ortiz, Fernando","Transformations of diphenylphosphinothioic acid tertiary amides mediated by directed ortho metallation.","Organic & biomolecular chemistry","2012","10","29","5647","5658","10.1039/c2ob25395j","","","0.71073","MoKα","","0.0443","0.0423","","","0.108","0.1095","","","","","","1.027","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152411","10.6237","0.0001","16.3773","0.0002","15.8989","0.0002","90","","125.406","0.001","90","","2254.65","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N P S Sn -","- C21 H32 N P S Sn -","- C84 H128 N4 P4 S4 Sn4 -","4","1","","El Hajjouji, Hajar; Belmonte, Eva; García-López, Jesús; Fernández, Ignacio; Iglesias, María José; Roces, Laura; García-Granda, Santiago; El Laghdach, Anas; López Ortiz, Fernando","Transformations of diphenylphosphinothioic acid tertiary amides mediated by directed ortho metallation.","Organic & biomolecular chemistry","2012","10","29","5647","5658","10.1039/c2ob25395j","","","1.54184","CuKα","","0.0301","0.0272","","","0.0686","0.0708","","","","","","1.045","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152412","5.7182","0.0003","12.0175","0.0007","30.1828","0.0017","90","","90","","90","","2074.1","0.2","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl2 N2 O2 -","- C20 H30 Cl2 N2 O2 -","- C80 H120 Cl8 N8 O8 -","4","1","","Ortiz, Adrian; Young, Ian S.; Sawyer, James R.; Hsiao, Yi; Singh, Amarjit; Sugiyama, Masano; Corbett, R. Michael; Chau, Melissa; Shi, Zhongping; Conlon, David A.","Synthetic approaches to a chiral 4-amino-3-hydroxy piperidine with pharmaceutical relevance.","Organic & biomolecular chemistry","2012","10","27","5253","5257","10.1039/c2ob25411e","","","1.54178","CuKα","","0.0402","0.0372","","","0.0966","0.0979","","","","","","1.101","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152413","7.5722","0.0004","9.8018","0.0005","10.6602","0.0005","75.7436","0.0014","72.7353","0.0014","80.784","0.0013","729.05","0.06","123","","123","","","","101","","","","4,4-dimethylpyrrolidine-3-carboxylic acid","5","P 1","P 1","1","N-nosyl 4,4-dimethylpyrrolidine-3-carboxylic acid","(S)-N-(2-nitrophenylsulphonyl)-4,4-dimethylpyrrolidine-3-carboxylic acid","","- C13 H16 N2 O6 S -","- C13 H16 N2 O6 S -","- C26 H32 N4 O12 S2 -","2","2","","Yoshida, Masanori; Masaki, Erika; Ikehara, Hiroto; Hara, Shoji","Enantioselective synthesis of gabapentin analogues via organocatalytic asymmetric Michael addition of α-branched aldehydes to β-nitroacrylates.","Organic & biomolecular chemistry","2012","10","27","5289","5297","10.1039/c2ob25413a","","x-ray","0.71075","MoKa","","","0.044","","","","0.1235","","","","","","1.09","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152414","7.6251","0.0004","10.1757","0.0005","12.2433","0.0006","104.314","0.001","91.763","0.001","100.041","0.001","903.66","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 N12 O S2 -","- C20 H21 N6 O0.5 S -","- C40 H42 N12 O S2 -","2","1","","Adepu, Raju; Rambabu, D.; Prasad, Bagineni; Meda, Chandana Lakshmi T.; Kandale, Ajit; Rama Krishna, G.; Malla Reddy, C.; Chennuru, Lakshmi N.; Parsa, Kishore V. L.; Pal, Manojit","Novel thieno[2,3-d]pyrimidines: their design, synthesis, crystal structure analysis and pharmacological evaluation.","Organic & biomolecular chemistry","2012","10","29","5554","5569","10.1039/c2ob25420d","","","0.71073","MoKα","","0.0527","0.0429","","","0.1316","0.1426","","","","","","0.998","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152415","11.092","0.005","11.448","0.005","15.672","0.007","89.924","0.008","89.583","0.009","62.283","0.007","1761.7","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N3 O3 S -","- C19 H19 N3 O3 S -","- C76 H76 N12 O12 S4 -","4","2","","Adepu, Raju; Rambabu, D.; Prasad, Bagineni; Meda, Chandana Lakshmi T.; Kandale, Ajit; Rama Krishna, G.; Malla Reddy, C.; Chennuru, Lakshmi N.; Parsa, Kishore V. L.; Pal, Manojit","Novel thieno[2,3-d]pyrimidines: their design, synthesis, crystal structure analysis and pharmacological evaluation.","Organic & biomolecular chemistry","2012","10","29","5554","5569","10.1039/c2ob25420d","","","0.71073","MoKα","","0.1761","0.138","","","0.3287","0.3472","","","","","","1.92","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152416","14.266","0.008","13.805","0.004","12.483","0.003","73.773","0.014","69.52","0.03","71.78","0.03","2147.3","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H58 O11 -","- C46 H58 O11 -","- C92 H116 O22 -","2","1","","Galli, Marzia; Berrocal, José Augusto; Di Stefano, Stefano; Cacciapaglia, Roberta; Mandolini, Luigi; Baldini, Laura; Casnati, Alessandro; Ugozzoli, Franco","Highly efficient intramolecular Cannizzaro reaction between 1,3-distal formyl groups at the upper rim of a cone-calix[4]arene.","Organic & biomolecular chemistry","2012","10","26","5109","5112","10.1039/c2ob25458a","","","1.54178","CuKα","","0.1216","0.0894","","","0.2518","0.2914","","","","","","1.065","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152417","56.216","0.011","4.9368","0.001","15.39","0.003","90","","101.42","0.03","90","","4186.6","1.5","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C21 H31 O6.5 -","- C21 H31 O6.5 -","- C168 H248 O52 -","8","2","","Zhang, Fan; Ding, Gang; Li, Li; Cai, Xiaoyue; Si, Yikang; Guo, Liangdong; Che, Yongsheng","Isolation, antimicrobial activity, and absolute configuration of the furylidene tetronic acid core of pestalotic acids A-G.","Organic & biomolecular chemistry","2012","10","27","5307","5314","10.1039/c2ob25469g","","","0.71073","MoKα","","0.1076","0.0853","","","0.1754","0.1886","","","","","","1.169","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152418","12.535","0.004","14.086","0.005","16.533","0.006","95.902","0.014","105.791","0.013","91.983","0.013","2788.2","1.7","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C51 H57 N15 O11 S3 -","- C51 H57 N15 O11 S3 -","- C102 H114 N30 O22 S6 -","2","1","","Aldrey, Anxela; Macías, Alejandro; Bastida, Rufina; Zaragoza, Guillermo; Rama, Gustavo; López, Miguel Vázquez","A chemosensor for dihydrogenphosphate based on an oxoazamacrocycle possessing three thiourea arms.","Organic & biomolecular chemistry","2012","10","28","5379","5384","10.1039/c2ob25498k","","x-ray","0.7107","MoKα","","0.1516","0.1011","","","0.2647","0.2891","","","","","","0.997","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152419","10.6022","0.0007","13.4737","0.001","18.5141","0.0014","79.826","0.004","84.575","0.004","89.938","0.004","2591.2","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C49 H51 F3 N12 O10 S3 -","- C49 H51 F3 N12 O10 S3 -","- C98 H102 F6 N24 O20 S6 -","2","1","","Aldrey, Anxela; Macías, Alejandro; Bastida, Rufina; Zaragoza, Guillermo; Rama, Gustavo; López, Miguel Vázquez","A chemosensor for dihydrogenphosphate based on an oxoazamacrocycle possessing three thiourea arms.","Organic & biomolecular chemistry","2012","10","28","5379","5384","10.1039/c2ob25498k","","x-ray","0.7107","MoKα","","0.1072","0.0568","","","0.1172","0.1416","","","","","","1.029","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152420","11.308","0.0009","11.3298","0.0009","15.5036","0.0008","76.884","0.003","88.093","0.002","85.182","0.002","1927.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H45 N O2 P2 -","- C47.5 H45 N O2 P2 -","- C95 H90 N2 O4 P4 -","2","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","","0.71073","MoKα","","0.0495","0.0376","","","0.114","0.1211","","","","","","1.18","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152421","10.231","0.003","14.736","0.004","20.826","0.005","90","","102.29","0.004","90","","3067.9","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 N O2 P2 -","- C35 H37 N O2 P2 -","- C140 H148 N4 O8 P8 -","4","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","","0.71073","MoKα","","0.0694","0.0427","","","0.106","0.116","","","","","","0.962","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152422","10.726","0.001","19.139","0.002","19.555","0.002","90","","96.13","0.006","90","","3991.4","0.7","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 O1.5 P4 -","- C48 H44 O1.5 P4 -","- C192 H176 O6 P16 -","4","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","","0.71073","MoKα","","0.2242","0.0517","","","0.0586","0.0836","","","","","","0.696","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152423","10.185","0.002","10.3","0.002","15.865","0.004","72.942","0.002","82.792","0.002","67.62","0.002","1471.1","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Dipolar cycloaddition reactions of 1-alkyl-1,2-diphospholes","","- C37 H32 P2 -","- C37 H32 P2 -","- C74 H64 P4 -","2","1","","Zagidullin, Almaz; Ganushevich, Yulia; Miluykov, Vasili; Krivolapov, Dmitry; Kataeva, Olga; Sinyashin, Oleg; Hey-Hawkins, Evamarie","Reactions of 1-alkyl-1,2-diphospholes with 1,3-dipoles: diphenyldiazomethane and nitrones.","Organic & biomolecular chemistry","2012","10","27","5298","5306","10.1039/c2ob25532d","","x-ray","0.71073","MoKα","","0.0598","0.0464","","","0.1397","0.1536","","","","","","0.873","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152424","25.7271","0.0018","5.6497","0.0004","13.2772","0.0009","90","","112.41","0.001","90","","1784.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Williams, D Bradley G; Simelane, Sandile B.; Kinfe, Henok H.","Aluminium triflate catalysed O-glycosidation: temperature-switched selective Ferrier rearrangement or direct addition with alcohols.","Organic & biomolecular chemistry","2012","10","29","5636","5642","10.1039/c2ob25540e","","","0.71073","MoKα","","0.0299","0.0291","","","0.0782","0.0794","","","","","","1.024","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152425","5.771","0.0011","10.93","0.002","28.102","0.006","90","","90","","90","","1772.6","0.6","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Ramachary, Dhevalapally B.; Mondal, Rumpa; Madhavachary, R.","Direct catalytic asymmetric synthesis of highly functionalized (2-ethynylphenyl)alcohols via Barbas-List aldol reaction: scope and synthetic applications.","Organic & biomolecular chemistry","2012","10","26","5094","5101","10.1039/c2ob25563d","","","0.71073","MoKα","","0.0668","0.0556","","","0.1239","0.1295","","","","","","1.116","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152426","9.26806","0.00016","13.0043","0.0002","16.2697","0.0002","90","","90","","90","","1960.9","0.05","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Br N4 O3 -","- C22 H15 Br N4 O3 -","- C88 H60 Br4 N16 O12 -","4","1","","Wei, Wen-Tao; Chen, Chun-Xia; Lu, Rui-Jiong; Wang, Jin-Jia; Zhang, Xue-Jing; Yan, Ming","Enantioselective synthesis of 3,3'-dihydropyrryl-spirooxindoles via an organocatalytic three-component reaction.","Organic & biomolecular chemistry","2012","10","27","5245","5252","10.1039/c2ob25629k","","","1.5418","CuKα","","0.0312","0.0272","","","0.0694","0.0853","","","","","","1.125","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152427","19.3107","0.0004","17.019","0.0004","23.1391","0.0004","90","","93.5198","0.001","90","","7590.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H82 N2 S2 Si4 -","- C68 H82 N2 S2 Si4 -","- C272 H328 N8 S8 Si16 -","4","1","","Maeda, Chihiro; Yoshioka, Naoki","Peripherally ethynylated carbazole-based core-modified porphyrins.","Organic & biomolecular chemistry","2012","10","27","5182","5185","10.1039/c2ob25645b","","","1.54187","CuKα","","0.1199","0.0991","","","0.2981","0.3224","","","","","","1.15","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7152428","8.1931","0.0002","11.5561","0.0003","13.5965","0.0004","65.465","0.001","89.457","0.001","70.356","0.001","1090.13","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","ethyl (2RS,3RS,5RS)-4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,3,4,5-tetrohydro-2,5- epoxy-1,4-benzoxazepine-3-carboxylate","","- C25 H22 Br N O5 -","- C25 H22 Br N O5 -","- C50 H44 Br2 N2 O10 -","2","1","","Kadina, Anastasia P.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Pérez, Pedro J; Yufit, Dmitry S.","Intramolecular cycloaddition of azomethine ylides, from imines of O-acylsalicylic aldehyde and ethyl diazoacetate, to ester carbonyl - experimental and DFT computational study.","Organic & biomolecular chemistry","2012","10","29","5582","5591","10.1039/c2ob25676b","","","0.71073","MOKα","","0.0358","0.0283","","","0.0671","0.07","","","","","","1.097","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152429","11.9682","0.0003","13.505","0.0003","14.0716","0.0004","91.862","0.001","92.106","0.001","111.135","0.001","2117.42","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H63 N5 O3 -","- C47 H63 N5 O3 -","- C94 H126 N10 O6 -","2","1","","Mateus, Pedro; Delgado, Rita; Brandão, Paula; Félix, Vítor","A polyoxapolyaza macrobicyclic receptor for the recognition of zwitterions.","Organic & biomolecular chemistry","2012","10","29","5529","5532","10.1039/c2ob25725d","","","0.71073","MoKα","","0.0652","0.0495","","","0.1276","0.1387","","","","","","1.02","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152430","5.5086","0.0004","8.9755","0.0007","11.5642","0.0009","103.51","0.001","95.81","0.001","101.073","0.001","539.16","0.07","185","2","185","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","","Liu, Xu; Xin, Xin; Xiang, Dexuan; Zhang, Rui; Kumar, Santosh; Zhou, Fenguo; Dong, Dewen","Facile and efficient synthesis of quinolin-2(1H)-ones via cyclization of penta-2,4-dienamides mediated by H(2)SO(4).","Organic & biomolecular chemistry","2012","10","29","5643","5646","10.1039/c2ob25767j","","","0.71073","MoKα","","0.0501","0.0432","","","0.1167","0.1239","","","","","","1.043","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152431","9.4738","0.0006","17.4767","0.0012","26.9117","0.0017","90","","90","","90","","4455.8","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 Cl2 Fe2 N2 O4 -","- C40 H62 Cl2 Fe2 N2 O4 -","- C160 H248 Cl8 Fe8 N8 O16 -","4","1","","Muthupandi, Pandi; Sekar, Govindasamy","Synthesis of an unusual dinuclear chiral iron complex and its application in asymmetric hydrophosphorylation of aldehydes.","Organic & biomolecular chemistry","2012","10","28","5347","5352","10.1039/c2ob25810b","","","0.71073","MoKα","","0.0577","0.037","","","0.0855","0.0999","","","","","","1.033","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152432","9.2365","0.0004","9.7935","0.0004","17.7681","0.0008","90","","101.569","0.003","90","","1574.61","0.12","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C68 H56 Cl4 N4 O20 -","4","2","","Aitken, David J.; Bernard, Angela M.; Capitta, Francesca; Frongia, Angelo; Guillot, Régis; Ollivier, Jean; Piras, Pier Paolo; Secci, Francesco; Spiga, Marco","Very high stereoselectivity in organocatalyzed desymmetrizing aldol reactions of 3-substituted cyclobutanones.","Organic & biomolecular chemistry","2012","10","26","5045","5048","10.1039/c2ob25813g","","x-ray","0.71073","MoKα","","0.1446","0.0671","","","0.1311","0.1606","","","","","","1.023","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152433","8.7119","0.0013","12.724","0.0018","15.85","0.002","66.646","0.003","80.311","0.003","70.794","0.003","1521.8","0.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","2","","Aitken, David J.; Bernard, Angela M.; Capitta, Francesca; Frongia, Angelo; Guillot, Régis; Ollivier, Jean; Piras, Pier Paolo; Secci, Francesco; Spiga, Marco","Very high stereoselectivity in organocatalyzed desymmetrizing aldol reactions of 3-substituted cyclobutanones.","Organic & biomolecular chemistry","2012","10","26","5045","5048","10.1039/c2ob25813g","","x-ray","0.71073","MoKα","","0.0805","0.0484","","","0.1216","0.138","","","","","","1.044","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152434","9.1476","0.0009","10.5282","0.0011","19.4696","0.0018","90","","103.17","0.001","90","","1825.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 S -","- C22 H16 N2 O2 S -","- C88 H64 N8 O8 S4 -","4","1","","Liu, Jia-Yan; Zhang, Hao; Feng, Bao-Ming; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","A multicomponent synthetic strategy for two-carbon-tethered 1,3-oxathiole-indole pairs.","Organic & biomolecular chemistry","2012","10","26","5036","5038","10.1039/c2ob25817j","","","0.71073","MoKα","","0.085","0.0448","","","0.0875","0.0993","","","","","","1.014","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152435","8.0391","0.0017","18.123","0.003","11.275","0.002","90","","105.499","0.009","90","","1582.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O6 -","- C19 H15 N O6 -","- C76 H60 N4 O24 -","4","1","","Siva Swaroop, Pandrangi; Raut, Gajanan N.; Gonnade, Rajesh G.; Verma, Priyanka; Gokhale, Rajesh S.; Srinivasa Reddy, D.","Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues.","Organic & biomolecular chemistry","2012","10","28","5385","5394","10.1039/c2ob25831e","","","0.71073","MoKα","","0.0967","0.0718","","","0.1112","0.1192","","","","","","1.171","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152436","7.6833","0.0005","12.1129","0.0008","13.7371","0.0009","97.44","0.003","97.44","0.003","102.311","0.003","1222.16","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Br2 O4 -","- C12 H10 Br2 O4 -","- C48 H40 Br8 O16 -","4","2","","Siva Swaroop, Pandrangi; Raut, Gajanan N.; Gonnade, Rajesh G.; Verma, Priyanka; Gokhale, Rajesh S.; Srinivasa Reddy, D.","Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues.","Organic & biomolecular chemistry","2012","10","28","5385","5394","10.1039/c2ob25831e","","","0.71073","MoKα","","0.0306","0.0225","","","0.0492","0.0521","","","","","","1.045","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152437","13.574","0.006","17.699","0.008","21.533","0.009","90","","90","","90","","5173","4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br2 O4 -","- C12 H10 Br2 O4 -","- C192 H160 Br32 O64 -","16","4","","Siva Swaroop, Pandrangi; Raut, Gajanan N.; Gonnade, Rajesh G.; Verma, Priyanka; Gokhale, Rajesh S.; Srinivasa Reddy, D.","Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues.","Organic & biomolecular chemistry","2012","10","28","5385","5394","10.1039/c2ob25831e","","","0.71073","MoKα","","0.0702","0.0352","","","0.0513","0.0589","","","","","","1.02","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152438","11.27","0.002","12.954","0.002","13.331","0.001","90","","108.9","0.01","90","","1841.3","0.5","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl N O3 S -","- C21 H18 Cl N O3 S -","- C84 H72 Cl4 N4 O12 S4 -","4","1","","Börger, Carsten; Krahl, Micha P.; Gruner, Margit; Kataeva, Olga; Knölker, Hans-Joachim","First total synthesis of the biscarbazole alkaloid oxydimurrayafoline.","Organic & biomolecular chemistry","2012","10","27","5189","5193","10.1039/c2ob25842k","","","0.71073","MoKα","","0.065","0.0352","","","0.0728","0.0809","","","","","","1.018","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152439","10.5103","0.0013","13.662","0.0016","25.537","0.003","90","","90","","90","","3666.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhou, Feng; Fu, Haoliang; Ong, Wei Qiang; Ye, Ruijuan; Yuan, Weixing; Lu, Yu-Jing; Huo, Yan-Ping; Zhang, Kun; Su, Haibin; Zeng, Huaqiang","Locking high energy 1D chain of dichloromethane molecules containing abnormally short ClCl contacts of 2.524 Å inside organic crystals.","Organic & biomolecular chemistry","2012","10","29","5525","5528","10.1039/c2ob25888a","","","0.71073","MoKα","","0.1167","0.0866","","","0.185","0.2012","","","","","","1.101","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152440","10.5003","0.0013","13.6695","0.0017","25.51","0.003","90","","90","","90","","3661.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhou, Feng; Fu, Haoliang; Ong, Wei Qiang; Ye, Ruijuan; Yuan, Weixing; Lu, Yu-Jing; Huo, Yan-Ping; Zhang, Kun; Su, Haibin; Zeng, Huaqiang","Locking high energy 1D chain of dichloromethane molecules containing abnormally short ClCl contacts of 2.524 Å inside organic crystals.","Organic & biomolecular chemistry","2012","10","29","5525","5528","10.1039/c2ob25888a","","","0.71073","MoKα","","0.0764","0.0641","","","0.1579","0.1665","","","","","","1.067","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152441","12.3304","0.0017","12.3304","0.0017","38.821","0.008","90","","90","","90","","5902.3","1.7","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C33 H42 Cl N O4 -","- C33 H42 Cl N O4 -","- C264 H336 Cl8 N8 O32 -","8","1","","Chen, Song; Rong, Chao; Feng, Pengju; Li, Songlei; Shi, Yian","Stereoselective construction of the tetracyclic core of Cryptotrione.","Organic & biomolecular chemistry","2012","10","29","5518","5520","10.1039/c2ob25923k","","","0.71073","MoKα","","0.0932","0.0906","","","0.1577","0.1587","","","","","","1.321","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152442","7.2914","0.0002","13.7723","0.0003","17.2777","0.0004","90","","99.684","0.002","90","","1710.29","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 O2 -","- C18 H20 N6 O2 -","- C72 H80 N24 O8 -","4","1","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71073","MoKα","","0.0523","0.0444","","","0.1151","0.1222","","","","","","1.024","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152443","21.464","0.015","8.35","0.006","20.873","0.014","90","","98.375","0.012","90","","3701","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 F5 N5 O4 -","- C37 H50 F5 N5 O4 -","- C148 H200 F20 N20 O16 -","4","1","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71075","MoKα","","0.1445","0.1173","","","0.1791","0.1917","","","","","","1.269","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152444","16.627","0.004","8.9654","0.0018","17.878","0.004","90","","93.051","0.004","90","","2661.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 F5 N4 O -","- C14 H7 F5 N4 O -","- C112 H56 F40 N32 O8 -","8","2","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71075","MoKα","","0.068","0.0571","","","0.1081","0.113","","","","","","1.143","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152445","29.489","0.005","7.2109","0.0011","18.264","0.003","90","","119.114","0.008","90","","3393","1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 N6 O3.5 -","- C17 H21 N6 O3.5 -","- C136 H168 N48 O28 -","8","1","","Gale, Philip A.; Hiscock, Jennifer R.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.; Wenzel, Marco","Benzimidazole-based anion receptors: tautomeric switching and selectivity.","Organic & biomolecular chemistry","2012","10","30","5909","5915","10.1039/c1ob06800h","","","0.71073","MoKα","","0.0693","0.0567","","","0.1514","0.1606","","","","","","1.08","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7152446","8.2256","0.0014","11.0205","0.0018","18.212","0.003","90","","90","","90","","1650.9","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br F3 N O -","- C18 H13 Br F3 N O -","- C72 H52 Br4 F12 N4 O4 -","4","1","","Ye, Ke-Yin; Dai, Li-Xin; You, Shu-Li","Enantioselective synthesis of 2,5-dihydrobenzo[b]azepine derivatives via iridium-catalyzed asymmetric allylic amination with 2-allylanilines and ring-closing-metathesis reaction.","Organic & biomolecular chemistry","2012","10","30","5932","5939","10.1039/c2ob00036a","","","0.71073","MoKα","","0.0382","0.0302","","","0.0719","0.0751","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152447","6.0553","0.0002","13.8095","0.0005","15.5347","0.0005","90","","90","","90","","1299.02","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Ramachary, Dhevalapally B.; Madhavachary, R.; Prasad, M. Shiva","Observation of neighboring ortho-hydroxyl group participation in organocatalytic asymmetric sequential Michael-lactonization reactions: synthesis of highly substituted chiral spirodihydrocoumarins.","Organic & biomolecular chemistry","2012","10","30","5825","5829","10.1039/c2ob07122c","","","1.54184","CuKα","","0.0539","0.0438","","","0.1094","0.1146","","","","","","1.075","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152448","9.2659","0.0004","14.2973","0.0005","29.1661","0.0011","90","","90","","90","","3863.8","0.3","213.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H62 N2 O6 -","- C43 H62 N2 O6 -","- C172 H248 N8 O24 -","4","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0862","","","","0.1872","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152449","9.3208","0.0004","14.1964","0.0006","29.1726","0.0013","90","","90","","90","","3860.2","0.3","213.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H62 N2 O5 -","- C43 H62 N2 O5 -","- C172 H248 N8 O20 -","4","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0613","","","","0.1779","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152450","15.1052","0.0002","6.5375","0.0001","23.8816","0.0004","90","","95.864","0.0006","90","","2345.97","0.06","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H77 N2 O8 -","- C51 H78 N2 O8 -","- C102 H156 N4 O16 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","0.7","synchrotron","","","0.1076","","","","0.3477","","","","","","1.9","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152451","11.406","0.0006","7.8884","0.0004","27.0427","0.0014","90","","96.296","0.003","90","","2418.5","0.2","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H80 N2 O10 -","- C51 H80 N2 O10 -","- C102 H160 N4 O20 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0865","","","","0.2553","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152452","11.2617","0.0005","7.6842","0.0003","27.7084","0.0012","90","","93.487","0.002","90","","2393.37","0.18","213.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H80 N2 O10 -","- C52 H80 N2 O10 -","- C104 H160 N4 O20 -","2","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.1664","","","","0.475","","","","","","1.327","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152453","4.641","0.002","10.535","0.003","15.936","0.004","90","","90","","90","","779.2","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 F O3 -","- C7 H9 F O3 -","- C28 H36 F4 O12 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.0547","0.0448","","","0.1107","0.1151","","","","","","1.052","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152454","8.2716","0.0012","10.4218","0.0018","10.0531","0.0018","90","","106.384","0.013","90","","831.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 F O6 -","- C17 H21 F O6 -","- C34 H42 F2 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.0303","0.0276","","","0.0786","0.0806","","","","","","1.026","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152455","12.125","0.002","4.8704","0.0015","14.1","0.003","90","","92.283","0.006","90","","832","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H9 Cl O3 -","- C7 H9 Cl O3 -","- C28 H36 Cl4 O12 -","4","2","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.085","0.0503","","","0.1098","0.1266","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152456","11.185","0.005","11.218","0.01","10.307","0.005","104.76","0.05","91.6","0.04","100.21","0.05","1227.1","1.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Cl3 N O4 -","- C22 H30 Cl3 N O4 -","- C44 H60 Cl6 N2 O8 -","2","1","","Hallett, David J.; Tanikkul, Nongluk; Thomas, Eric J.","Remote stereocontrol in reactions between 4- and 5-alkoxyalk-2-enylstannanes and 1-alkoxycarbonylimines and analogues: stereoselective approaches to novel α-amino acids.","Organic & biomolecular chemistry","2012","10","30","6130","6158","10.1039/c2ob25097g","","","1.54178","CuKα","","0.101","0.0725","","","0.204","0.2327","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152457","9.681","0.003","28.33","0.01","6.26","0.002","90","","90","","90","","1716.9","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Hallett, David J.; Tanikkul, Nongluk; Thomas, Eric J.","Remote stereocontrol in reactions between 4- and 5-alkoxyalk-2-enylstannanes and 1-alkoxycarbonylimines and analogues: stereoselective approaches to novel α-amino acids.","Organic & biomolecular chemistry","2012","10","30","6130","6158","10.1039/c2ob25097g","","","1.5418","CuKα","","0.1436","0.0735","","","0.1465","0.1915","","","","","","1.201","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152458","22.1832","0.0006","5.8375","0.0002","14.5119","0.0004","90","","105.895","0.0012","90","","1807.36","0.09","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C64 H124 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0494","0.0465","","0.121","0.1165","0.121","","","","","","0.9701","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152459","5.7565","0.0002","19.43","0.0008","8.1386","0.0003","90","","96.168","0.002","90","","905.02","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C32 H62 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0433","0.0365","","0.0936","0.0839","0.0936","","","","","","0.9192","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152460","7.9717","0.0002","12.5518","0.0003","13.0678","0.0003","90","","95.5854","0.0009","90","","1301.35","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C56 H78 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0457","0.0432","","0.1173","0.1153","0.1173","","","","","","0.9837","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152461","9.326","0.0002","13.7383","0.0003","20.3169","0.0006","90","","90","","90","","2603.07","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C112 H156 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0451","0.0364","","0.0984","0.089","0.0984","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152462","16.0394","0.0003","16.0394","0.0003","21.4724","0.0006","90","","90","","90","","5524","0.2","120","2","120","2","","","","","","","","4","P 41","P 4w","76","","","","- C47 H77 Cl5 O15 -","- C47 H77 Cl5 O15 -","- C188 H308 Cl20 O60 -","4","1","","Paterson, Ian; Anderson, Edward A.; Dalby, Stephen M.; Lim, Jong Ho; Maltas, Philip","The stereocontrolled total synthesis of spirastrellolide A methyl ester. Fragment coupling studies and completion of the synthesis.","Organic & biomolecular chemistry","2012","10","30","5873","5886","10.1039/c2ob25101a","","","0.71073","MoKα","","0.0637","0.0508","","","0.1168","0.1239","","","","","","1.083","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152463","6.95676","0.00013","12.7545","0.0003","24.6435","0.0005","90","","90","","90","","2186.62","0.08","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 O5 S -","- C24 H21 N3 O5 S -","- C96 H84 N12 O20 S4 -","4","1","","Tsukano, Chihiro; Yokouchi, Shinsuke; Girard, Anne-Lise; Kuribayashi, Toshifumi; Sakamoto, Shota; Enomoto, Taro; Takemoto, Yoshiji","Platinum catalyzed 7-endo cyclization of internal alkynyl amides and its application to synthesis of the caprazamycin core.","Organic & biomolecular chemistry","2012","10","30","6074","6086","10.1039/c2ob25111f","","","1.54187","CuKα","","","0.0388","","","","0.0627","","","","","","1.829","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152464","8.831","0.002","9.455","0.003","21.605","0.006","90","","99.62","0.008","90","","1778.6","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Marek-70 (Bishnu)","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","","Mejuch, Tom; Dutta, Bishnu; Botoshansky, Mark; Marek, Ilan","Convergent diastereoselective preparation of adjacent quaternary stereocenters in an acyclic system.","Organic & biomolecular chemistry","2012","10","30","5803","5806","10.1039/c2ob25121c","","","0.71073","MoKα","","0.161","0.0795","","","0.2151","0.2578","","","","","","0.921","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152465","8.032","0.001","9.304","0.001","11.542","0.001","103.644","0.004","92.877","0.004","97.279","0.003","828.56","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Marek-88 ( Tom)","","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","","Mejuch, Tom; Dutta, Bishnu; Botoshansky, Mark; Marek, Ilan","Convergent diastereoselective preparation of adjacent quaternary stereocenters in an acyclic system.","Organic & biomolecular chemistry","2012","10","30","5803","5806","10.1039/c2ob25121c","","","0.71073","MoKα","","0.0773","0.0599","","","0.1827","0.1958","","","","","","1.116","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152466","10.09","0.002","30.792","0.006","31.472","0.006","103.63","0.03","91.68","0.03","93.67","0.03","9473","3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H94 N12 O4 Zn2 -","- C120 H94 N12 O4 Zn2 -","- C480 H376 N48 O16 Zn8 -","4","2","","Mulholland, Amy R.; Thordarson, Pall; Mensforth, Emily J.; Langford, Steven J.","Porphyrin dyads linked by a rotatable 3,3'-biphenyl scaffold: a new binding motif for small ditopic molecules.","Organic & biomolecular chemistry","2012","10","30","6045","6053","10.1039/c2ob25147g","","","0.71254","synchrotron","","0.1346","0.0992","","","0.2726","0.3072","","","","","","1.016","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152467","13.087","0.003","13.192","0.002","14.62","0.003","103.23","0.02","107.21","0.03","108.81","0.02","2130.5","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Compound X","","","- C82 H100 Cl12 N6 O6 -","- C82 H100 Cl12 N6 O6 -","- C82 H100 Cl12 N6 O6 -","1","0.5","","Kaufmann, Lena; Dzyuba, Egor V.; Malberg, Friedrich; Löw, Nora L; Groschke, Matthias; Brusilowskij, Boris; Huuskonen, Juhani; Rissanen, Kari; Kirchner, Barbara; Schalley, Christoph A.","Substituent effects on axle binding in amide pseudorotaxanes: comparison of NMR titration and ITC data with DFT calculations.","Organic & biomolecular chemistry","2012","10","30","5954","5964","10.1039/c2ob25196e","","","1.54178","CuKα","","0.0956","0.0758","","","0.1974","0.216","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152468","25.976","0.005","19.61","0.004","19.93","0.004","90","","126.21","0.03","90","","8191","4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound X","","","- C88 H102 Cl6 N6 O6 -","- C88 H102 Cl6 N6 O6 -","- C352 H408 Cl24 N24 O24 -","4","0.5","","Kaufmann, Lena; Dzyuba, Egor V.; Malberg, Friedrich; Löw, Nora L; Groschke, Matthias; Brusilowskij, Boris; Huuskonen, Juhani; Rissanen, Kari; Kirchner, Barbara; Schalley, Christoph A.","Substituent effects on axle binding in amide pseudorotaxanes: comparison of NMR titration and ITC data with DFT calculations.","Organic & biomolecular chemistry","2012","10","30","5954","5964","10.1039/c2ob25196e","","","0.71073","MoKα","","0.1135","0.0695","","","0.1553","0.1742","","","","","","1.046","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152469","16.478","0.004","17.317","0.004","22.065","0.005","78.786","0.003","78.864","0.003","65.622","0.003","5580","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C107 H119.5 F12 N7.5 O25.5 S4 -","- C107 H118.5 F12 N7.5 O25.5 S4 -","- C214 H237 F24 N15 O51 S8 -","2","1","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1636","0.1114","","","0.3178","0.3647","","","","","","1.291","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152470","20.057","0.003","22.223","0.003","18.474","0.003","90","","109.497","0.002","90","","7762","2","173","2","173","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C119 H169 B6 Cd F24 N31 O60 -","- C96 H100 B6 Cd F24 N8 O14 -","- C192 H200 B12 Cd2 F48 N16 O28 -","2","1","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1188","0.0855","","","0.2214","0.2405","","","","","","0.926","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152471","18.248","0.009","20.018","0.01","28.528","0.014","90","","92.355","0.008","90","","10412","9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C172 H158 F24 N18 O47 Ru2 S8 -","- C172 H152 F24 N18 O47 Ru2 S8 -","- C344 H304 F48 N36 O94 Ru4 S16 -","2","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.4242","0.2267","","","0.4545","0.5573","","","","","","1.292","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152472","21.417","0.003","25.553","0.003","13.838","0.002","90","","103.228","0.002","90","","7372.2","1.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H144 F12 N12 O39 S4 -","- C138 H126 F12 N12 O39 S4 -","- C276 H252 F24 N24 O78 S8 -","2","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.2414","0.1361","","","0.2818","0.3449","","","","","","1.104","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152473","37.627","0.006","12.68","0.002","20.775","0.003","90","","123.038","0.002","90","","8309","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H94 B2 F8 N8 O24 -","- C76 H76 B2 F8 N2 O12 -","- C304 H304 B8 F32 N8 O48 -","4","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1669","0.1216","","","0.3558","0.3818","","","","","","1.259","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152474","12.554","0.004","13.774","0.005","15.329","0.005","80.404","0.005","68.495","0.004","89.969","0.005","2426.3","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H57 Cl3 O12 -","- C52 H56 O12 -","- C104 H112 O24 -","2","1","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.2106","0.1434","","","0.356","0.3936","","","","","","1.165","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152475","27.729","0.003","16.8628","0.0019","23.505","0.003","90","","106.757","0.001","90","","10524","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H116 F12 N4 O26 S4 -","- C104 H114 F12 N4 O26 S4 -","- C416 H456 F48 N16 O104 S16 -","4","0.5","","Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.","[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.","Organic & biomolecular chemistry","2012","10","30","6094","6104","10.1039/c2ob25200g","","","0.71073","MoKα","","0.1499","0.109","","","0.291","0.3206","","","","","","1.086","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152476","6.8058","0.0003","8.713","0.0004","13.1696","0.0005","90","","91.746","0.003","90","","780.58","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 S -","- C15 H22 O3 S -","- C30 H44 O6 S2 -","2","1","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0816","0.0621","","","0.1676","0.1852","","","","","","1.102","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152477","8.6495","0.0006","8.6869","0.0006","13.4401","0.0009","72.062","0.004","89.472","0.004","85.803","0.005","958.09","0.12","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C44 H44 O6 S2 -","2","2","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0852","0.0709","","","0.2023","0.2362","","","","","","1.107","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152478","9.3018","0.0003","16.8469","0.0005","25.9616","0.0008","90","","90","","90","","4068.4","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C88 H81 Br2 Cu2 Fe2 N3 P4 -","- C88 H81 Br2 Cu2 Fe2 N3 P4 -","- C176 H162 Br4 Cu4 Fe4 N6 P8 -","2","0.5","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0811","0.0566","","","0.1375","0.1487","","","","","","1.072","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152479","36.714","0.004","36.714","0.004","15.1151","0.0015","90","","90","","120","","17644","3","193","2","193","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C46 H32 O2 -","- C46 H32 O2 -","- C828 H576 O36 -","18","1","","Fort, Eric H.; Scott, Lawrence T.","Facile air-oxidation of large aromatic hydrocarbon bay regions to bay region quinones: predicted oxygen-sensitivity of hydrogen-terminated carbon nanotubes.","Organic & biomolecular chemistry","2012","10","30","5747","5749","10.1039/c2ob25208b","","","0.71073","MoKα","","0.0874","0.0628","","","0.1718","0.1886","","","","","","1.069","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152480","17.8976","0.0004","11.2875","0.0003","18.4543","0.0005","90","","95.4952","0.0012","90","","3710.99","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl 3-(3-(3-(but-3-en-1-yl)-3-(3-(2-(tert-butoxy)-2-oxoethoxy) -5-isopropoxybenzoyl)ureido)-4-isopropoxyphenyl)propanoate","","- C37 H52 N2 O9 -","- C37 H52 N2 O9 -","- C148 H208 N8 O36 -","4","1","","Thompson, Sam; Hamilton, Andrew D.","Amphiphilic α-helix mimetics based on a benzoylurea scaffold.","Organic & biomolecular chemistry","2012","10","30","5780","5782","10.1039/c2ob25273b","","","0.71073","MoKα","","0.1212","0.0612","","0.0788","0.0524","0.0478","","","","","","1.1257","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152481","8.8237","0.0007","12.5753","0.0009","24.9768","0.0016","83.919","0.006","83.43","0.006","69.943","0.007","2579.6","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N7 O4 -","- C26 H25 N7 O4 -","- C104 H100 N28 O16 -","4","2","","Shafran, Yuri; Rozin, Yuri; Beryozkina, Tetyana; Zhidovinov, Sergei; Eltsov, Oleg; Subbotina, Julia; Leban, Johann; Novikova, Rashida; Bakulev, Vasiliy","Self condensation of enamines mediated by acetylation. A novel approach to 1-(azol-5-yl)-(1E,3Z)-butadiene-4-N,N-dimethylamines.","Organic & biomolecular chemistry","2012","10","30","5795","5798","10.1039/c2ob25331c","","","0.71073","MoKα","","0.1135","0.0408","","","0.0751","0.0814","","","","","","1","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152482","4.9211","0.0003","12.5759","0.0008","23.0138","0.0015","90","","90","","90","","1424.26","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.0815","0.0784","","","0.1707","0.1722","","","","","","1.784","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152483","17.193","0.004","4.8775","0.0012","17.519","0.004","90","","102.213","0.014","90","","1435.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N3 O2 -","- C18 H16 N3 O2 -","- C72 H64 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.1448","0.0553","","","0.1221","0.1628","","","","","","0.929","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152484","4.9819","0.0005","6.5576","0.0006","28.039","0.003","90","","90","","90","","916.01","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C44 H36 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.0462","0.0366","","","0.0897","0.0933","","","","","","1.058","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152485","11.1962","0.001","13.6978","0.0016","20.614","0.002","87.116","0.007","76.553","0.007","68.06","0.007","2849.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N5 O10 -","- C28 H29 N5 O10 -","- C112 H116 N20 O40 -","4","2","","Escribano-Cuesta, Ana; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Sekine, Masaki; Braga, Ataualpa A. C.; Maseras, Feliu; Echavarren, Antonio M.","The role of cyclobutenes in gold(i)-catalysed skeletal rearrangement of 1,6-enynes.","Organic & biomolecular chemistry","2012","10","30","6105","6111","10.1039/c2ob25419k","","","1.54178","CuKα","","0.1353","0.1066","","","0.2549","0.2805","","","","","","0.999","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152486","8.549","0.004","8.811","0.004","14.226","0.006","88.044","0.016","87.18","0.019","85.651","0.018","1066.7","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O8 -","- C22 H27 N O8 -","- C44 H54 N2 O16 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.066","0.0611","","","0.2191","0.2317","","","","","","1.99","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152487","8.5986","0.0008","9.3898","0.001","26.681","0.003","90","","90.782","0.003","90","","2154","0.4","169","2","169","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O8 -","- C22 H27 N O8 -","- C88 H108 N4 O32 -","4","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0719","0.0564","","","0.1369","0.1436","","","","","","1.082","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152488","6.8683","0.0012","9.2342","0.0015","10.5078","0.0019","111.922","0.004","90.897","0.004","96.504","0.004","613.06","0.18","168","2","168","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0528","0.0436","","","0.1227","0.1339","","","","","","1.114","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152489","10.301","0.005","8.437","0.004","23.76","0.011","90","","100.05","0.04","90","","2033.3","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O8 -","- C21 H23 N O8 -","- C84 H92 N4 O32 -","4","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0595","0.049","","","0.1535","0.1622","","","","","","1.262","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152490","7.3141","0.0014","11.871","0.003","12.579","0.002","72.852","0.01","83.715","0.008","89.902","0.011","1036.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O9 -","- C22 H25 N O9 -","- C44 H50 N2 O18 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","x-ray","0.71075","MoKα","","0.0536","0.0445","","","0.1155","0.1277","","","","","","1.068","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152491","14.467","0.006","9.266","0.003","15.337","0.004","90","","96.767","0.016","90","","2041.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O8 -","- C21 H23 N O8 -","- C84 H92 N4 O32 -","4","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0638","0.0577","","","0.2092","0.2153","","","","","","1.795","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152492","8.4243","0.0018","8.6769","0.0016","9.173","0.0017","108.968","0.005","103.816","0.006","94.519","0.006","606.8","0.2","169","2","169","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C26 H30 N2 O10 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0467","0.0406","","","0.1068","0.11","","","","","","1.057","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152493","13.062","0.0011","12.0982","0.0008","16.2166","0.0013","90","","90","","90","","2562.7","0.3","169","2","169","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C104 H120 N8 O40 -","8","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0562","0.044","","","0.1169","0.1234","","","","","","1.059","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152494","7.573","0.006","8.394","0.005","18.258","0.012","87.48","0.02","83.12","0.03","69.44","0.03","1078.9","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O8 -","- C22 H25 N O8 -","- C44 H50 N2 O16 -","2","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.1636","0.1503","","","0.444","0.4465","","","","","","2.821","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152495","7.633","0.002","8.046","0.002","14.859","0.005","77.08","0.02","88.83","0.02","62.32","0.02","784","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Rueping, Magnus; Merino, Estíbaliz; Bolte, Michael","Efficient proline and prolinol ether mediated 3-component synthesis of 3- and 3,4-substituted chromenone derivatives.","Organic & biomolecular chemistry","2012","10","30","6201","6210","10.1039/c2ob25443c","","","0.71073","MoKα","","0.2177","0.1039","","","0.2413","0.3108","","","","","","0.96","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152496","10.7772","0.0008","6.5073","0.0005","25.4062","0.0019","90","","90.353","0.006","90","","1781.7","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 Br O4 -","- C19 H21 Br O4 -","- C76 H84 Br4 O16 -","4","1","","Rueping, Magnus; Merino, Estíbaliz; Bolte, Michael","Efficient proline and prolinol ether mediated 3-component synthesis of 3- and 3,4-substituted chromenone derivatives.","Organic & biomolecular chemistry","2012","10","30","6201","6210","10.1039/c2ob25443c","","","0.71073","MoKα","","0.0572","0.0528","","","0.1355","0.1394","","","","","","1.005","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152497","8.8972","0.0002","12.2375","0.0003","12.7413","0.0003","90","","90","","90","","1387.27","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Gregg, Claire; Perkins, Michael V.","Total synthesis and structural elucidation of ent-micropyrone and (+)-ascosalipyrone.","Organic & biomolecular chemistry","2012","10","32","6547","6553","10.1039/c2ob25501d","","","0.7107","MoKα","","0.064","0.0451","","","0.1149","0.1196","","","","","","0.964","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152498","8.1642","0.0003","12.0184","0.0005","14.2772","0.0005","90","","90","","90","","1400.89","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Gregg, Claire; Perkins, Michael V.","Total synthesis and structural elucidation of ent-micropyrone and (+)-ascosalipyrone.","Organic & biomolecular chemistry","2012","10","32","6547","6553","10.1039/c2ob25501d","","","0.7107","MoKα","","0.0487","0.0374","","","0.0907","0.0935","","","","","","0.973","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152499","30.181","0.003","9.9266","0.0008","14.6281","0.0012","90","","118.99","","90","","3833.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 B2 N2 -","- C20 H32 B2 N2 -","- C160 H256 B16 N16 -","8","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0432","0.038","","","0.101","0.1051","","","","","","1.053","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152500","8.6278","0.0007","11.1348","0.0008","13.2544","0.001","71.123","0.001","89.295","0.001","87.433","0.001","1203.64","0.16","247","2","247","2","","","","","","","","4","P -1","-P 1","2","BBN-picoline-dimer","","","- C28 H40 B2 N2 -","- C28 H40 B2 N2 -","- C56 H80 B4 N4 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.1029","0.0511","","","0.1161","0.1372","","","","","","1.028","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152501","20.0937","0.0016","9.9331","0.0008","15.1773","0.0012","90","","112.871","0.001","90","","2791.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","diphenylboronpicoline-dimer","","","- C36 H32 B2 N2 -","- C36 H32 B2 N2 -","- C144 H128 B8 N8 -","4","0.5","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0501","0.0363","","","0.0827","0.0907","","","","","","1.033","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152502","19.7442","0.0008","8.9337","0.0004","16.7141","0.0007","90","","103.467","0.001","90","","2867.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","borafluorenylpicoline-CH3CN-solvate","","","- C38 H26 B2 N3 -","- C38 H26 B2 N3 -","- C152 H104 B8 N12 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0656","0.0531","","","0.1483","0.1596","","","","","","1.044","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152503","10.166","0.004","13.303","0.006","15.011","0.006","90","","90","","90","","2030.1","1.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","diethylboronpicoline-LiOMe-TMEDA","","","- C17 H35 B Li N3 O -","- C17 H35 B Li N3 O -","- C68 H140 B4 Li4 N12 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0446","0.041","","","0.1014","0.1044","","","","","","1.105","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152504","9.537","0.002","19.523","0.005","11.571","0.003","90","","91.102","0.003","90","","2154","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BBN-picoline-LiOMe-TMEDA","","","- C21 H39 B Li N3 O -","- C21 H39 B Li N3 O -","- C84 H156 B4 Li4 N12 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0974","0.0915","","","0.2621","0.2649","","","","","","1.292","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152505","9.1997","0.0005","10.062","0.0005","13.7746","0.0007","75.513","0.001","85.615","0.001","66.257","0.001","1129.62","0.1","101","2","101","2","","","","","","","","6","P -1","-P 1","2","BBNpicoline-LiOMe-2THF","","","- C23 H39 B Li N O3 -","- C23 H39 B Li N O3 -","- C46 H78 B2 Li2 N2 O6 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0708","0.0585","","","0.1394","0.1486","","","","","","1.051","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152506","7.4473","0.0004","9.7852","0.0006","20.4386","0.0012","90","","90","","90","","1489.43","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diethylboronpicoline-benzaldehyde","","","- C17 H21 B N2 -","- C17 H21 B N2 -","- C68 H84 B4 N8 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0324","0.0288","","","0.0676","0.0696","","","","","","1.052","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152507","10.285","0.002","24.538","0.005","10.285","0.002","90","","93.67","","90","","2590.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diethylboronpicoline-13dicyanobenzene","","","- C28 H36 B2 N4 -","- C28 H36 B2 N4 -","- C112 H144 B8 N16 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0692","0.0409","","","0.0993","0.1104","","","","","","0.94","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152508","6.7145","0.0004","15.9589","0.0009","23.1949","0.0013","90","","90","","90","","2485.5","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","diethylboronpicoline-14dicyanobenzene","","","- C28 H36 B2 N4 -","- C28 H36 B2 N4 -","- C112 H144 B8 N16 -","4","0.5","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0568","0.0399","","","0.0892","0.0986","","","","","","1.015","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152509","8.6575","0.0005","14.9677","0.0009","14.9962","0.0009","90","","90","","90","","1943.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","diethylboronpicoline-benzophenone","","","- C23 H26 B N O -","- C23 H26 B N O -","- C92 H104 B4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0289","0.0275","","","0.068","0.0691","","","","","","1.06","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152510","8.2474","0.0006","18.4202","0.0013","11.0654","0.0008","90","","97.891","0.001","90","","1665.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","diethylboronpicoline-2chloroacetophenone","","","- C18 H23 B Cl N O -","- C18 H23 B Cl N O -","- C72 H92 B4 Cl4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0417","0.0341","","","0.0838","0.0879","","","","","","1.054","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152511","13.0246","0.0011","7.6223","0.0007","16.3135","0.0014","90","","91.507","0.001","90","","1619","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","diethylboronpicoline-4Chlorobenzaldehyde","","","- C17 H21 B Cl N O -","- C17 H21 B Cl N O -","- C68 H84 B4 Cl4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0354","0.0333","","","0.086","0.0874","","","","","","0.984","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152512","9.2247","0.001","16.045","0.0018","10.9529","0.0012","90","","93.999","0.001","90","","1617.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diethylboronpicoline-4nitrobenzaldehyde","","","- C17 H21 B N2 O3 -","- C17 H21 B N2 O3 -","- C68 H84 B4 N8 O12 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0639","0.0568","","","0.1399","0.1454","","","","","","0.902","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152513","8.3937","0.0006","10.2137","0.0007","11.238","0.0012","108.665","0.001","102.699","0.001","100.782","0.001","855.21","0.12","109","2","109","2","","","","","","","","6","P -1","-P 1","2","diethylboronpicoline-4trifluorotolualdehyde","","","- C18 H21 B F3 N O -","- C18 H21 B F3 N O -","- C36 H42 B2 F6 N2 O2 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0402","0.0351","","","0.0891","0.0928","","","","","","1.051","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152514","8.2346","0.001","8.449","0.001","20.337","0.002","90","","99.733","0.002","90","","1394.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diethylboronpicoline-crotonaldehyde","","","- C14 H22 B N O -","- C14 H22 B N O -","- C56 H88 B4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.071","0.0436","","","0.0842","0.0947","","","","","","1.069","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152515","8.4677","0.0004","11.4989","0.0005","14.424","0.0007","90","","101.503","0.001","90","","1376.24","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BBNpicoline-n,n-dimethylacetamide","","","- C16 H22 B N O -","- C16 H22 B N O -","- C64 H88 B4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0395","0.0353","","","0.0842","0.0879","","","","","","0.972","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152516","10.5949","0.0007","7.6737","0.0005","24.2686","0.0016","90","","100.587","0.001","90","","1939.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diphenylboronpicoline-acetonitrile","","","- C21 H21 B Cl2 N2 -","- C21 H21 B Cl2 N2 -","- C84 H84 B4 Cl8 N8 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0532","0.0346","","","0.0806","0.0894","","","","","","1.074","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152517","17.8677","0.0008","20.0262","0.0009","10.9651","0.0005","90","","102.768","0.001","90","","3826.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diphenylboronpicoline-benzonitrile","","","- C25 H21 B N2 -","- C25 H21 B N2 -","- C200 H168 B8 N16 -","8","2","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0462","0.0346","","","0.0833","0.0917","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152518","8.4273","0.0008","10.2028","0.0009","12.7409","0.0012","95.769","0.001","105.923","0.001","104.904","0.001","1000.62","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","diphenylboronpicoline-4chlorobenzaldehyde","","","- C25 H21 B Cl N O -","- C25 H21 B Cl N O -","- C50 H42 B2 Cl2 N2 O2 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0558","0.0434","","","0.1015","0.1085","","","","","","1.05","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152519","8.4944","0.0004","9.8689","0.0005","10.9392","0.0006","63.499","0.001","87.637","0.001","81.64","0.001","811.67","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","diphenylboronpicoline-n,n-dimethylacetamide","","","- C20 H18 B N O -","- C20 H18 B N O -","- C40 H36 B2 N2 O2 -","2","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0399","0.0337","","","0.0854","0.0901","","","","","","1.05","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152520","38.885","0.002","7.5009","0.0004","24.1696","0.0013","90","","123.084","0.002","90","","5906.7","0.6","100","2","","","","","","","","","Dipeptide synthesized according to Mutters procedure followed by acylation with the Fmoc alanine fluoride.","4","C 1 2 1","C 2y","5","","Fmoc-Ala-(R)-MeSer(psipro)-Ala-OtBu","","- C60 H74 N6 O14 -","- C60 H74 N6 O14 -","- C240 H296 N24 O56 -","4","1","","Katarzyńska, Joanna; Mazur, Adam; Wolf, Wojciech M.; Teat, Simon J.; Jankowski, Stefan; Leplawy, Mirosław T; Zabrocki, Janusz","4-Methylpseudoproline derived from α-methylserine - synthesis and conformational studies.","Organic & biomolecular chemistry","2012","10","33","6705","6716","10.1039/c2ob25732g","","","","","","0.0647","0.0608","","","0.1712","0.1763","","","","","","","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152521","14.9433","0.0004","16.7585","0.0004","17.4804","0.0004","109.705","0.001","98.331","0.001","112.991","0.001","3595.46","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H86 Cl6 O9 Se6 -","- C65 H86 Cl6 O9 Se6 -","- C130 H172 Cl12 O18 Se12 -","2","1","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","1.54178","CuKα","","0.0701","0.0497","","","0.1095","0.1188","","","","","","1.033","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152522","28.31","0.004","28.31","0.004","14.618","0.003","90","","90","","90","","11716","3","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C60 H88 O6 Se4 -","- C60 H88 O6 Se4 -","- C480 H704 O48 Se32 -","8","0.5","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","0.71073","MoKα","","0.0539","0.0364","","","0.0844","0.0928","","","","","","1.079","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152523","13.801","0.007","27.671","0.012","31.568","0.016","90","","93.689","0.014","90","","12030","10","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H72 Ag F3 O7 S Se4 -","- C53 H72 Ag F3 O7 S Se4 -","- C424 H576 Ag8 F24 O56 S8 Se32 -","8","2","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","1.54178","CuKα","","0.094","0.0837","","","0.1718","0.1779","","","","","","1.071","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152524","13.994","0.002","13.994","0.002","14.223","0.003","90","","90","","90","","2785.3","0.8","100","2","100","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C52 H72 Ag F6 O4 P Se4 -","- C52 H72 Ag F6 O4 P Se4 -","- C104 H144 Ag2 F12 O8 P2 Se8 -","2","0.25","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","0.71073","MoKα","","0.1032","0.0512","","","0.0887","0.0937","","","","","","0.988","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152525","10.8677","0.0013","12.6155","0.001","26.392","0.005","90","","95.784","0.008","90","","3600","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H90 Cl6 O8 Se4 -","- C64 H90 Cl6 O8 Se4 -","- C128 H180 Cl12 O16 Se8 -","2","0.5","","Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim","Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.","Organic & biomolecular chemistry","2012","10","32","6526","6536","10.1039/c2ob25760b","","","1.54178","CuKα","","0.0548","0.0456","","","0.1082","0.1137","","","","","","1.055","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152526","12.8286","0.0007","12.1802","0.0007","11.4263","0.0006","90","","111.313","0.001","90","","1663.31","0.16","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R*,4aS*,10aS*)-1-(3,4-dimethoxyphenyl)-1,3,4,4a,10,10a-hexahydropyrano [4,3-b]chromene","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Subba Reddy, B. V.; Jalal, Sayed; Borkar, Prashant; Yadav, J. S.; Reddy, P. P.; Kunwar, A. C.; Sridhar, B.","The stereoselective synthesis of cis-/trans-fused hexahydropyrano[4,3-b]chromenes via Prins cyclization trapping by a tethered nucleophile.","Organic & biomolecular chemistry","2012","10","32","6562","6568","10.1039/c2ob25771h","","","0.71073","MoKα","","0.0358","0.0327","","","0.09","0.0938","","","","","","1.047","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152527","11.086","0.002","12.727","0.003","13.649","0.003","73.23","0.03","84.08","0.03","83.37","0.03","1826.6","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","2","","Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.","Organic & biomolecular chemistry","2012","10","31","6266","6270","10.1039/c2ob25799h","","","0.71073","MoKα","","0.0755","0.0655","","","0.13","0.1364","","","","","","1.143","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152528","8.8707","0.0018","10.082","0.002","18.499","0.004","90","","90","","90","","1654.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N3 O2 -","- C15 H18 Br N3 O2 -","- C60 H72 Br4 N12 O8 -","4","1","","Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.","Organic & biomolecular chemistry","2012","10","31","6266","6270","10.1039/c2ob25799h","","","0.71073","MoKα","","0.1173","0.0398","","","0.0521","0.061","","","","","","0.735","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152529","11.082","0.002","8.7","0.0017","16.612","0.003","90","","100.67","0.03","90","","1573.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.","Organic & biomolecular chemistry","2012","10","31","6266","6270","10.1039/c2ob25799h","","","0.71073","MoKα","","0.137","0.0598","","","0.1324","0.1391","","","","","","1.008","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152530","9.869","0.002","14.785","0.003","16.173","0.003","90","","95.51","0.03","90","","2348.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,8-bis(4-phenoxyphenyl)-1,5-naphthyridine","","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C128 H88 N8 O8 -","4","1","","Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong","Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.","Organic & biomolecular chemistry","2012","10","33","6693","6704","10.1039/c2ob25926e","","","0.71073","MoKα","","0.1729","0.0756","","","0.1411","0.1725","","","","","","1.004","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152531","8.942","0.0018","10.249","0.002","21.626","0.004","90","","96.87","0.03","90","","1967.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,8-bis(9,9-dibutyl-9H-fluoren-2-yl)-1,5-naphthyridine","","","- C25 H27 N -","- C25 H27 N -","- C100 H108 N4 -","4","1","","Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong","Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.","Organic & biomolecular chemistry","2012","10","33","6693","6704","10.1039/c2ob25926e","","","0.71073","MoKα","","0.1535","0.0766","","","0.1626","0.1974","","","","","","1.005","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152532","11.973","0.002","7.802","0.0016","12.534","0.003","90","","102.95","0.03","90","","1141.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,8-bis(4-(tert-butyl)phenyl)-1,5-naphthyridine","","","- C14 H15 N -","- C14 H15 N -","- C56 H60 N4 -","4","1","","Wang, Kun-Yan; Chen, Chen; Liu, Jin-Fang; Wang, Qin; Chang, Jin; Zhu, Hong-Jun; Li, Chong","Novel multifunctional organic semiconductor materials based on 4,8-substituted 1,5-naphthyridine: synthesis, single crystal structures, opto-electrical properties and quantum chemistry calculation.","Organic & biomolecular chemistry","2012","10","33","6693","6704","10.1039/c2ob25926e","","","0.71073","MoKα","","0.181","0.0759","","","0.1069","0.134","","","","","","1.002","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152533","8.9397","0.0006","11.7671","0.0008","17.0494","0.0012","96.72","0.003","97.088","0.003","103.4","0.003","1711.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","2","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.055","","","0.1548","0.177","","","","","","1.065","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152534","9.0853","0.0007","9.0853","0.0007","23.592","0.004","90","","90","","90","","1947.3","0.4","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H20 Cl N O5 -","- C20 H20 Cl N O5 -","- C80 H80 Cl4 N4 O20 -","4","1","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.0592","","","0.1586","0.1862","","","","","","1.045","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152535","12.4785","0.0004","13.3392","0.0005","10.0137","0.0004","90","","103.019","0.002","90","","1623.97","0.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","1","","Zhang, Ya-Ru; Xie, Jian-Wu; Huang, Xu-Jiao; Zhu, Wei-Dong","Construction of functionalized 2,3-dihydro-1,4-benzoxazines via [5 + 1] annulations of 2-halo-1,3-dicarbonyl compounds with imines.","Organic & biomolecular chemistry","2012","10","32","6554","6561","10.1039/c2ob25927c","","","0.71073","MoKα","","","0.0386","","","0.1052","0.1113","","","","","","1.046","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152536","12.0158","0.0005","9.3261","0.0004","14.7056","0.0006","90","","98.3","0.003","90","","1630.66","0.12","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O S -","- C18 H16 Br N O S -","- C72 H64 Br4 N4 O4 S4 -","4","1","","Bertolasi, Valerio; Bortolini, Olga; Donvito, Adelaide; Fantin, Giancarlo; Fogagnolo, Marco; Giovannini, Pier Paolo; Massi, Alessandro; Pacifico, Salvatore","Unexpected reactivity of diaryl α-diketones with thiazolium carbenes: discovery of a novel multicomponent reaction for the facile synthesis of 1,4-thiazin-3-ones.","Organic & biomolecular chemistry","2012","10","32","6579","6586","10.1039/c2ob25928a","","","0.71073","MoKα","","0.0688","0.0438","","","0.0982","0.1098","","","","","","1.051","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152537","26.031","0.0009","5.2668","0.0002","25.435","0.0011","90","","114.261","0.002","90","","3179.2","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N2 S -","- C20 H16 N2 S -","- C160 H128 N16 S8 -","8","1","","Wu, Hung-Chou; Yang, Chia-Wen; Hwang, Long-Chih; Wu, Ming-Jung","Au(i)-catalyzed and iodine-mediated cyclization of enynylpyrazoles to provide pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2012","10","33","6640","6648","10.1039/c2ob25973g","","","0.71073","MoKα","","0.1318","0.0664","","","0.1323","0.1602","","","","","","1.054","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152538","11.123","0.005","7.632","0.004","12.7","0.005","90","","90.39","0.01","90","","1078.1","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C54 H44 N4 O4 -","2","1","","Wu, Hung-Chou; Yang, Chia-Wen; Hwang, Long-Chih; Wu, Ming-Jung","Au(i)-catalyzed and iodine-mediated cyclization of enynylpyrazoles to provide pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2012","10","33","6640","6648","10.1039/c2ob25973g","","","0.71073","MoKα","","0.0847","0.0534","","","0.1428","0.1896","","","","","","0.789","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152539","17.055","0.003","7.5478","0.0012","19.591","0.003","90","","100.937","0.002","90","","2476.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N4 O3 -","- C29 H26 N4 O3 -","- C116 H104 N16 O12 -","4","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.6889","synchrotron","","0.0742","0.0614","","","0.1782","0.1871","","","","","","1.043","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152540","10.988","0.01","7.353","0.007","29.7","0.03","90","","95.027","0.008","90","","2390","4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 F3 N3 O5 -","- C27 H24 F3 N3 O5 -","- C108 H96 F12 N12 O20 -","4","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.6889","synchrotron","","0.2693","0.2297","","","0.6078","0.6335","","","","","","2.681","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152541","10.8328","0.0006","12.7806","0.0008","13.3203","0.0006","72.909","0.005","79.316","0.004","71.622","0.006","1664.08","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 F3 N3 O6 Si -","- C34 H40 F3 N3 O6 Si -","- C68 H80 F6 N6 O12 Si2 -","2","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.71073","MoKα","","0.0544","0.041","","","0.0919","0.1012","","","","","","1.031","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152542","8.0807","0.0003","11.5619","0.0005","12.786","0.0005","79.423","0.003","86.322","0.003","82.872","0.003","1164.15","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O5 -","- C26 H25 N3 O5 -","- C52 H50 N6 O10 -","2","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.71073","MoKα","","0.0429","0.0348","","","0.0996","0.102","","","","","","1.122","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152543","13.9615","0.0006","6.7669","0.0002","19.4128","0.0008","90","","100.967","0.004","90","","1800.55","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C88 H76 N12 O8 -","4","1","","Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.","Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.","Organic & biomolecular chemistry","2012","10","33","6649","6655","10.1039/c2ob26009c","","","0.71073","MoKα","","0.05","0.0402","","","0.0952","0.102","","","","","","1.026","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152544","8.0564","0.0005","14.5528","0.0008","15.2944","0.0008","61.687","0.002","87.605","0.002","88.859","0.002","1577.27","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Benzamide","","","- C66 H78 N6 O19 -","- C66 H78 N6 O19 -","- C66 H78 N6 O19 -","1","0.5","","Azzarito, Valeria; Prabhakaran, Panchami; Bartlett, Alice I.; Murphy, Natasha S.; Hardie, Michaele J.; Kilner, Colin A.; Edwards, Thomas A.; Warriner, Stuart L.; Wilson, Andrew J.","2-O-Alkylated para-benzamide α-helix mimetics: the role of scaffold curvature.","Organic & biomolecular chemistry","2012","10","32","6469","6472","10.1039/c2ob26262b","","","0.71073","MoKα","","0.1102","0.0518","","","0.1092","0.1316","","","","","","0.977","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152545","9.0441","0.0007","13.9383","0.001","17.5956","0.0012","90","","99.421","0.004","90","","2188.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzamide","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","Azzarito, Valeria; Prabhakaran, Panchami; Bartlett, Alice I.; Murphy, Natasha S.; Hardie, Michaele J.; Kilner, Colin A.; Edwards, Thomas A.; Warriner, Stuart L.; Wilson, Andrew J.","2-O-Alkylated para-benzamide α-helix mimetics: the role of scaffold curvature.","Organic & biomolecular chemistry","2012","10","32","6469","6472","10.1039/c2ob26262b","","","0.71073","MoKα","","0.1298","0.0743","","","0.2001","0.2362","","","","","","1.024","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152546","7.938","0.003","23.823","0.004","9.277","0.003","90","","104.96","0.03","90","","1694.9","0.9","294","2","294","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C72 H100 N4 O8 -","4","1","","Amat, Mercedes; Semak, Vladislav; Escolano, Carmen; Molins, Elies; Bosch, Joan","Enantioselective, protecting group-free synthesis of 1S-ethyl-4-substituted quinolizidines.","Organic & biomolecular chemistry","2012","10","34","6866","6875","10.1039/c2ob25392e","","x-ray","0.71073","MoKα","","0.1709","0.0528","","","0.1158","0.1479","","","","","","0.888","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152547","5.7061","0.0005","17.048","0.0015","18.4614","0.0016","90","","90","","90","","1795.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O -","- C22 H20 Br N O -","- C88 H80 Br4 N4 O4 -","4","1","","Liu, Xin-Yuan; Xiao, Ya-Ping; Siu, Fung-Ming; Ni, Li-Chen; Chen, Yong; Wang, Lin; Che, Chi-Ming","Highly regio-, diastereo- and enantioselective one-pot gold/chiral Brønsted acid-catalysed cascade synthesis of bioactive diversely substituted tetrahydroquinolines.","Organic & biomolecular chemistry","2012","10","35","7208","7219","10.1039/c2ob25753j","","","1.54178","CuKα","","0.0231","0.0228","","","0.0637","0.064","","","","","","1.069","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152548","8.4384","0.0003","5.3564","0.0002","16.3563","0.0005","90","","93.619","0.002","90","","737.82","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C34 H32 Br2 N2 O2 -","2","1","","Liu, Xin-Yuan; Xiao, Ya-Ping; Siu, Fung-Ming; Ni, Li-Chen; Chen, Yong; Wang, Lin; Che, Chi-Ming","Highly regio-, diastereo- and enantioselective one-pot gold/chiral Brønsted acid-catalysed cascade synthesis of bioactive diversely substituted tetrahydroquinolines.","Organic & biomolecular chemistry","2012","10","35","7208","7219","10.1039/c2ob25753j","","","1.54178","CuKα","","0.0587","0.0435","","","0.1099","0.1189","","","","","","1.048","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152549","11.135","0.002","11.251","0.002","14.491","0.003","106.087","0.004","90.501","0.004","114.229","0.004","1575.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N2 O10 S2 -","- C33 H32 N2 O10 S -","- C66 H64 N4 O20 S2 -","2","1","","Medina, Sandra; González-Gómez, Alvaro; Domínguez, Gema; Pérez-Castells, Javier","Medium-sized and strained heterocycles from non-catalysed and gold-catalysed conversions of β-carbolines.","Organic & biomolecular chemistry","2012","10","35","7167","7176","10.1039/c2ob25755f","","","0.71073","MoKα","","0.2642","0.0754","","","0.1846","0.2485","","","","","","0.805","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152550","10.39","0.002","17.643","0.003","8.429","0.002","92.81","0.02","113.88","0.01","90.83","0.01","1410.2","0.5","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","C31 H31 Br1 O2 Sn1","","","- C31 H31 Br O2 Sn -","- C31 H31 Br O2 Sn -","- C62 H62 Br2 O4 Sn2 -","2","1","","Hobson, Lindsay A.; Thomas, Eric J.","Concerning the 1,5-stereocontrol in tin(iv) chloride promoted reactions of 4- and 5-alkoxyalk-2-enylstannanes: trapping intermediate allyltin trichlorides using phenyllithium.","Organic & biomolecular chemistry","2012","10","37","7510","7526","10.1039/c2ob25765c","","","0.7107","MoKα","","0.0853","0.0403","","0.0473","0.0381","","","","1.744","1.724","1.724","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152551","10.7933","0.0014","16.163","0.002","13.5195","0.0019","90","","94.48","0.004","90","","2351.3","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H66 O6 Si3 -","- C43 H66 O6 Si3 -","- C86 H132 O12 Si6 -","2","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.2282","0.1046","","","0.2684","0.3501","","","","","","1.024","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152552","14.316","0.003","15.96","0.004","16.397","0.004","90","","90","","90","","3746.4","1.5","571","2","571","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 O8 Si2 -","- C34 H52 O8 Si2 -","- C136 H208 O32 Si8 -","4","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","x-ray","0.71073","MoKα","","0.1459","0.0784","","","0.2038","0.2354","","","","","","1.3","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152553","14.2378","0.0013","16.4937","0.0016","19.1231","0.0019","90","","90","","90","","4490.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 N O7 Si2 -","- C41 H59 N O7 Si2 -","- C164 H236 N4 O28 Si8 -","4","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","x-ray","0.71073","MoKα","","0.2039","0.0582","","","0.1235","0.1856","","","","","","0.997","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152554","10.1116","0.001","16.5521","0.0016","13.8615","0.0013","90","","99.705","0.003","90","","2286.8","0.4","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H65 N O6 Si2 -","- C46 H65 N O6 Si2 -","- C92 H130 N2 O12 Si4 -","2","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.0864","0.0439","","","0.0907","0.1052","","","","","","0.992","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152555","10.734","0.002","11.293","0.002","11.423","0.002","110.54","0.03","90.72","0.03","108.91","0.03","1214.1","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C47 H63 N O7 Si2 -","- C47 H63 N O7 Si2 -","- C47 H63 N O7 Si2 -","1","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.1701","0.0814","","","0.2259","0.3089","","","","","","1.003","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152556","7.4889","0.0015","12.379","0.003","45.45","0.009","90","","90.04","0.03","90","","4213.4","1.6","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H61 N O6 Si2 -","- C40 H61 N O6 Si2 -","- C160 H244 N4 O24 Si8 -","4","2","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","","0.71073","MoKα","","0.2755","0.1152","","","0.281","0.3674","","","","","","1.013","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152557","9.8965","0.0017","8.9206","0.0015","11.355","0.002","90","","113.274","0.002","90","","920.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O3 -","- C20 H22 Br N O3 -","- C40 H44 Br2 N2 O6 -","2","1","","Barry, Sarah M.; Mueller-Bunz, Helge; Rutledge, Peter J.","Investigating the oxidation of alkenes by non-heme iron enzyme mimics.","Organic & biomolecular chemistry","2012","10","36","7372","7381","10.1039/c2ob25834j","","","0.71073","MoKα","","0.049","0.0438","","","0.1007","0.102","","","","","","1.004","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152558","10.0288","0.0013","15.96","0.002","16.609","0.002","90","","90","","90","","2658.4","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O3 -","- C32 H32 N2 O3 -","- C128 H128 N8 O12 -","4","1","","Barry, Sarah M.; Mueller-Bunz, Helge; Rutledge, Peter J.","Investigating the oxidation of alkenes by non-heme iron enzyme mimics.","Organic & biomolecular chemistry","2012","10","36","7372","7381","10.1039/c2ob25834j","","","0.71073","MoKα","","0.0297","0.0291","","","0.0733","0.074","","","","","","1.039","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152559","16.8468","0.0003","14.7846","0.0002","24.5438","0.0004","90","","90","","90","","6113.2","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H40 B2 F4 N4 -","- C34 H40 B2 F4 N4 -","- C272 H320 B16 F32 N32 -","8","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0489","0.0421","","","0.1072","0.1109","","","","","","1.075","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152560","24.4208","0.0004","11.8609","0.0002","29.0741","0.0005","90","","118","0.001","90","","7435.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C160 H180 B8 Cl4 F16 N16 -","- C160.005 H180.004 B8 Cl4.0008 F16 N16 -","- C320.01 H360.008 B16 Cl8.0016 F32 N32 -","2","0.5","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0552","0.0438","","","0.1236","0.1326","","","","","","1.177","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152561","16.5658","0.0016","15.3933","0.0015","14.378","0.0012","90","","95.115","0.004","90","","3651.8","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 B2 Cl3 F4 N4 -","- C39 H37 B2 Cl3 F4 N4 -","- C156 H148 B8 Cl12 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.1747","0.0951","","","0.1861","0.2128","","","","","","1.039","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152562","13.753","0.003","13.11","0.003","25.759","0.005","90","","119.635","0.003","90","","4036.9","1.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 B2 Cl6 F4 N4 -","- C40 H38 B2 Cl6 F4 N4 -","- C160 H152 B8 Cl24 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","0.7107","MoKα","","0.0784","0.06","","","0.1569","0.1722","","","","","","1.078","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152563","11.0884","0.0003","23.5088","0.0009","13.9282","0.0005","90","","102.606","0.0014","90","","3543.2","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 B2 F4 N4 -","- C39 H44 B2 F4 N4 -","- C156 H176 B8 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.1076","0.0785","","","0.1978","0.2203","","","","","","1.059","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152564","7.944","0.003","10.964","0.004","13.432","0.004","98.902","0.013","93.514","0.013","104.888","0.014","1110.7","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 B2 Cl2 F4 N4 -","- C52 H50 B2 Cl2 F4 N4 -","- C52 H50 B2 Cl2 F4 N4 -","1","0.5","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","0.71075","MoKα","","0.1916","0.1653","","","0.3905","0.3974","","","","","","1.233","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152565","11.3126","0.0002","29.2235","0.0006","17.1103","0.0003","90","","92.3136","0.0011","90","","5651.95","0.18","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 B2 Cl6 F4 N4 -","- C60 H62 B2 Cl6 F4 N4 -","- C240 H248 B8 Cl24 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0817","0.0667","","","0.1806","0.1916","","","","","","1.064","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152566","11.247","0.004","27.084","0.009","17.815","0.006","90","","94.678","0.006","90","","5409","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H65 B2 Cl F4 N4 -","- C64 H65 B2 Cl F4 N4 -","- C256 H260 B8 Cl4 F16 N16 -","4","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","0.7107","MoKα","","0.086","0.0619","","","0.1394","0.1538","","","","","","1.082","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152567","12.9946","0.0003","13.0045","0.0003","17.9199","0.0004","74.7391","0.0008","88.1657","0.0009","62.091","0.001","2566.87","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C123 H122 B4 Cl2 F8 N8 O -","- C123 H122 B4 Cl2 F8 N8 O -","- C123 H122 B4 Cl2 F8 N8 O -","1","0.5","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0595","0.0554","","","0.1527","0.1572","","","","","","1.085","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152568","24.4208","0.0005","11.8609","0.0003","27.8392","0.0005","90","","112.763","0.0008","90","","7435.7","0.3","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 B2 F4 N4 -","- C34 H40 B2 F4 N4 -","- C272 H320 B16 F32 N32 -","8","2","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0547","0.0455","","","0.126","0.1302","","","","","","1.135","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152569","9.0943","0.001","11.3949","0.0012","16.064","0.0018","90.442","0.002","97.86","0.002","94.117","0.002","1644.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Cl2 N2 O5 S2 -","- C33 H30 Cl2 N2 O5 S2 -","- C66 H60 Cl4 N4 O10 S4 -","2","1","","Yang, Yuan-Liang; Wei, Yin; Shi, Min","New multifunctional chiral phosphines and BINOL derivatives co-catalyzed enantioselective aza-Morita-Baylis-Hillman reaction of 5,5-disubstituted cyclopent-2-enone and N-sulfonated imines.","Organic & biomolecular chemistry","2012","10","36","7429","7438","10.1039/c2ob25932j","","","0.71073","MoKα","","0.0734","0.056","","","0.1503","0.1631","","","","","","1.057","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152570","13.424","0.002","9.9313","0.0018","20.607","0.004","90","","92.308","0.004","90","","2745.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Br N O3 S -","- C31 H26 Br N O3 S -","- C124 H104 Br4 N4 O12 S4 -","4","1","","Yang, Yuan-Liang; Wei, Yin; Shi, Min","New multifunctional chiral phosphines and BINOL derivatives co-catalyzed enantioselective aza-Morita-Baylis-Hillman reaction of 5,5-disubstituted cyclopent-2-enone and N-sulfonated imines.","Organic & biomolecular chemistry","2012","10","36","7429","7438","10.1039/c2ob25932j","","","0.71073","MoKα","","0.179","0.0841","","","0.1619","0.1948","","","","","","1.034","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152571","11.4072","0.0009","10.0831","0.0004","10.674","0.0009","90","","117.075","0.011","90","","1093.18","0.17","150","","150","","","","","","","","synthesized","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N12 -","- C20 H28 N12 -","- C40 H56 N24 -","2","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","1.54184","CuKα","","0.0876","0.083","","0.2574","0.2523","0.2574","","","","","","1.0816","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152572","5.5624","0.0002","9.412","0.0003","12.0631","0.0005","76.0194","0.0016","86.5052","0.0015","81.839","0.002","606.4","0.04","150","","150","","","","","","","","synthesized","3","P -1","-P 1","2","","","","- C26 H24 N12 -","- C26 H24 N12 -","- C26 H24 N12 -","1","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","0.71073","MoKα","","0.0692","0.0459","","0.1475","0.1185","0.1475","","","","","","0.9471","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152573","16.4629","0.001","10.8655","0.0008","15.7413","0.0011","90","","107.516","0.004","90","","2685.2","0.3","150","","150","","","","","","","","synthesized","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 N12 O3 -","- C26 H30 N12 O3 -","- C104 H120 N48 O12 -","4","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","0.71073","MoKα","","0.1124","0.0611","","0.1504","0.1206","0.1504","","","","","","0.995","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152574","7.67099","0.00016","18.1327","0.0005","14.7503","0.0003","90","","90.726","0.002","90","","2051.54","0.08","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 B4 F16 N14 -","- C28 H46 B4 F16 N14 -","- C56 H92 B8 F32 N28 -","2","0.5","","White, Nicholas G.; Carvalho, Sílvia; Félix, Vítor; Beer, Paul D.","Anion binding in aqueous media by a tetra-triazolium macrocycle.","Organic & biomolecular chemistry","2012","10","34","6951","6959","10.1039/c2ob25934f","","","1.5418","CuKα","","0.0608","0.0463","","0.0826","0.0737","0.0826","","","","","","0.9762","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152575","25.438","0.002","10.671","0.0005","7.125","0.0002","90","","90","","90","","1934.07","0.19","200","2","200","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","(meso)1-methyl-2,5-diphenethylpyrrolidin-1-ium chloride","","- C21 H28 Cl N -","- C21 H28 Cl N -","- C84 H112 Cl4 N4 -","4","","","Amara, Zacharias; Drège, Emmanuelle; Troufflard, Claire; Retailleau, Pascal; Joseph, Delphine","Solvent-free double aza-Michael under ultrasound irradiation: diastereoselective sequential one-pot synthesis of pyrrolidine Lobelia alkaloids analogues.","Organic & biomolecular chemistry","2012","10","35","7148","7157","10.1039/c2ob25963j","","","1.54187","CuKα","","0.0718","0.0544","","","0.1467","0.1763","","","","","","1.136","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152576","8.806","0.004","11.377","0.005","26.118","0.008","90","","90","","90","","2616.7","1.8","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","2,2'-(1-benzhydryl-2,5-dihydro-1H-pyrrole-2,5-diyl)bis(1- phenylethanone)","2,2'-(1-benzhydryl-2,5-dihydro-1H-pyrrole-2,5-diyl)bis(1-phenylethanone)","","- C33 H29 N O2 -","- C33 H29 N O2 -","- C132 H116 N4 O8 -","4","0.5","","Amara, Zacharias; Drège, Emmanuelle; Troufflard, Claire; Retailleau, Pascal; Joseph, Delphine","Solvent-free double aza-Michael under ultrasound irradiation: diastereoselective sequential one-pot synthesis of pyrrolidine Lobelia alkaloids analogues.","Organic & biomolecular chemistry","2012","10","35","7148","7157","10.1039/c2ob25963j","","","0.71069","MoKα","","0.0885","0.0635","","","0.1708","0.1925","","","","","","1.05","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152577","9.0546","0.0007","13.7185","0.001","16.4462","0.0012","103.527","0.002","90.913","0.001","100.227","0.001","1951.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C90 H60 N12 O18 -","6","3","","Zhou, Wei; Zhang, Yicheng; Li, Pinhua; Wang, Lei","Synthesis of (Z)-3-aryloxy-acrylonitriles, (E)-3-aryloxy-acrylonitriles and 3-cyanobenzofurans through the sequential reactions of phenols with propiolonitriles.","Organic & biomolecular chemistry","2012","10","35","7184","7196","10.1039/c2ob25969a","","","0.71073","MoKα","","0.0811","0.0465","","","0.1457","0.1867","","","","","","1.01","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152578","8.6348","0.0006","14.476","0.0006","10.0498","0.0005","90","","101.186","0.005","90","","1232.33","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 N2 O3 -","- C15 H8 N2 O3 -","- C60 H32 N8 O12 -","4","1","","Zhou, Wei; Zhang, Yicheng; Li, Pinhua; Wang, Lei","Synthesis of (Z)-3-aryloxy-acrylonitriles, (E)-3-aryloxy-acrylonitriles and 3-cyanobenzofurans through the sequential reactions of phenols with propiolonitriles.","Organic & biomolecular chemistry","2012","10","35","7184","7196","10.1039/c2ob25969a","","","0.71073","MoKα","","0.0555","0.0378","","","0.0908","0.101","","","","","","1.023","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152579","6.6502","0.0019","8.0811","0.0019","18.466","0.005","80.28","0.03","84.36","0.03","66.24","0.03","894.7","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C44 H44 O4 -","2","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.1034","0.0579","","","0.1443","0.1664","","","","","","0.9","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152580","9.7328","0.001","11.2756","0.0008","35.715","0.004","90","","90","","90","","3919.5","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O2 Si2 -","- C20 H22 O2 Si2 -","- C160 H176 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0639","0.0402","","","0.1021","0.1109","","","","","","1.014","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152581","20.5765","0.0009","11.1441","0.0005","8.1245","0.0004","90","","98.927","0.001","90","","1840.43","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0553","0.0422","","","0.1121","0.1216","","","","","","1.072","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152582","60.024","0.005","11.4478","0.0008","8.7407","0.0006","90","","95.534","0.004","90","","5978.1","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H22 O3 Si2 -","- C20 H22 O3 Si2 -","- C240 H264 O36 Si24 -","12","3","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0688","0.0549","","","0.1359","0.1458","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152583","14.635","0.004","10.5599","0.0016","11.643","0.003","90","","94.5","0.03","90","","1793.8","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Si3 -","- C14 H26 Si3 -","- C56 H104 Si12 -","4","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0719","0.0425","","","0.0981","0.1084","","","","","","0.913","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152584","6.227","0.0008","10.0764","0.0018","14.0512","0.0019","90","","91.347","0.016","90","","881.4","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H24 O Si3 -","- C13 H24 O Si3 -","- C26 H48 O2 Si6 -","2","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0585","0.0433","","","0.1094","0.1232","","","","","","1.053","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152585","12.8871","0.0017","8.8099","0.0011","14.4156","0.0014","90","","116.374","0.012","90","","1466.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O2 Si2 -","- C13 H20 O2 Si2 -","- C52 H80 O8 Si8 -","4","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0541","0.0446","","","0.1194","0.1252","","","","","","1.06","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152586","17.973","0.004","5.5806","0.0008","27.605","0.006","90","","90.75","0.03","90","","2768.5","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 O2 Si2 -","- C12 H18 O2 Si2 -","- C96 H144 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0417","0.037","","","0.1054","0.108","","","","","","1.104","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152587","10.3734","0.0006","11.1736","0.0007","36.103","0.002","90","","90","","90","","4184.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 O2 Si2 -","- C22 H24 O2 Si2 -","- C176 H192 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0634","0.0469","","","0.1125","0.1229","","","","","","1.03","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152588","24.717","0.002","4.8349","0.0004","15.6744","0.0013","90","","113.833","0.002","90","","1713.4","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H11 I N O2 -","- C6 H10 I N O2.25 -","- C48 H80 I8 N8 O18 -","8","2","","Deshmukh, Sharad Chandrakant; Roy, Arundhati; Talukdar, Pinaki","Diastereoselective construction of syn-α-oxyamines via three-component α-oxyaldehyde-dibenzylamine-alkyne coupling reaction: application in the synthesis of (+)-β-conhydrine and its analogues.","Organic & biomolecular chemistry","2012","10","37","7536","7544","10.1039/c2ob26007g","","","0.71073","MoKα","","0.037","0.03","","","0.0674","0.0716","","","","","","0.904","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152589","9.0684","0.0018","14.326","0.003","15.214","0.003","83.83","0.03","89.85","0.03","89.66","0.03","1965","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H39 N7 O6 -","- C44 H39 N7 O6 -","- C88 H78 N14 O12 -","2","1","","Zhang, Yuping; Jiang, Shimei","Fluoride-responsive gelator and colorimetric sensor based on simple and easy-to-prepare cyano-substituted amide.","Organic & biomolecular chemistry","2012","10","34","6973","6979","10.1039/c2ob26016f","","","0.71073","MoKα","","0.1633","0.0778","","","0.1998","0.2352","","","","","","1.019","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152590","8.157","0.0006","10.1367","0.0007","10.8698","0.0008","90","","101.185","0.001","90","","881.7","0.11","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","sbudh01","","","- C8 H11 N O5 -","- C8 H11 N O5 -","- C32 H44 N4 O20 -","4","1","","Samuel, David; Norrell, Kirsten; Hilmey, David G.","Novel ring chemistry of vitamin B(6) with singlet oxygen and an activated ene: isolated products and identified intermediates suggesting an operable [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2012","10","36","7278","7281","10.1039/c2ob26067k","","","0.71073","MoKα","","0.0351","0.0322","","","0.0931","0.0954","","","","","","1.077","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152591","7.8267","0.0006","11.7766","0.0008","26.1425","0.0019","90","","90","","90","","2409.6","0.3","100","0.5","100","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","sbudh02","","","- C13 H13 D3 N2 O5 -","- C13 H13 D3 N2 O5 -","- C104 H104 D24 N16 O40 -","8","1","","Samuel, David; Norrell, Kirsten; Hilmey, David G.","Novel ring chemistry of vitamin B(6) with singlet oxygen and an activated ene: isolated products and identified intermediates suggesting an operable [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2012","10","36","7278","7281","10.1039/c2ob26067k","","","0.71073","MoKα","","0.0577","0.0434","","","0.1174","0.1236","","","","","","1.053","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152592","5.276","0.0012","14.278","0.003","17.698","0.004","90","","90","","90","","1333.2","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Br N O3 S -","- C11 H12 Br N O3 S -","- C44 H48 Br4 N4 O12 S4 -","4","1","","Yang, Wen; Du, Da-Ming","Squaramide-catalysed enantio- and diastereoselective sulfa-Michael addition of thioacetic acid to α,β-disubstituted nitroalkenes.","Organic & biomolecular chemistry","2012","10","34","6876","6884","10.1039/c2ob26068a","","","0.71073","MoKα","","0.0477","0.0316","","","0.0263","0.0278","","","","","","0.783","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152593","7.5526","0.0011","8.7285","0.0013","17.68","0.003","85.539","0.003","82.149","0.003","87.533","0.003","1150.5","0.3","291","2","291","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C23 H35 O3 Si -","- C23 H35 O3 Si -","- C46 H70 O6 Si2 -","2","1","","Mehta, Goverdhan; Samineni, Ramesh; Srihari, Pabbaraja; Reddy, R. Gajendra; Chakravarty, Sumana","Diverted organic synthesis (DOS): accessing a new, natural product inspired, neurotrophically active scaffold through an intramolecular Pauson-Khand reaction.","Organic & biomolecular chemistry","2012","10","34","6830","6833","10.1039/c2ob26107c","","","0.71073","MoKa","","0.19","0.1084","","","0.2088","0.243","","","","","","1.07","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152594","10.026","0.004","12.876","0.004","21.444","0.007","90","","90","","90","","2768.3","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F6 O6 S -","- C28 H24 F6 O6 S -","- C112 H96 F24 O24 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","0.71073","MoKα","","0.1436","0.0613","","","0.1065","0.136","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152595","10.186","0.003","12.692","0.004","10.984","0.003","90","","93.75","0.02","90","","1417","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 F6 O6 S -","- C28 H22 F6 O6 S -","- C56 H44 F12 O12 S2 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","0.71073","MoKα","","0.1793","0.0626","","","0.0912","0.1215","","","","","","1.033","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152596","6.783","0.002","16.637","0.006","23.581","0.009","90","","90","","90","","2661.1","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 F6 O7 -","- C28 H22 F6 O7 -","- C112 H88 F24 O28 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","1.54178","CuKα","","0.1033","0.069","","","0.1732","0.2055","","","","","","1.021","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152597","10.0397","0.0008","7.5575","0.0006","20.5113","0.0015","90","","97.104","0.002","90","","1544.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 B Br O2 -","- C15 H20 B Br O2 -","- C60 H80 B4 Br4 O8 -","4","1","","Yuan, Weiming; Ma, Shengming","CuCl-K(2)CO(3)-catalyzed highly selective borylcupration of internal alkynes - ligand effect.","Organic & biomolecular chemistry","2012","10","36","7266","7268","10.1039/c2ob26147b","","","0.71073","MoKα","","0.0563","0.0369","","","0.0892","0.099","","","","","","1.036","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152598","12.1475","0.0011","6.0763","0.0006","24.653","0.002","90","","90.38","0.003","90","","1819.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 B O2 -","- C19 H29 B O2 -","- C76 H116 B4 O8 -","4","1","","Yuan, Weiming; Ma, Shengming","CuCl-K(2)CO(3)-catalyzed highly selective borylcupration of internal alkynes - ligand effect.","Organic & biomolecular chemistry","2012","10","36","7266","7268","10.1039/c2ob26147b","","","0.71073","MoKα","","0.0651","0.0494","","","0.1186","0.1302","","","","","","1.056","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152599","7.6581","0.0001","8.0433","0.0002","50.1404","0.0007","90","","90","","90","","3088.47","0.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O -","- C21 H17 N O -","- C168 H136 N8 O8 -","8","1","","Jiang, Xin-Dong; Gao, Ruina; Yue, Yi; Sun, Guo-Tao; Zhao, Weili","A NIR BODIPY dye bearing 3,4,4a-trihydroxanthene moieties.","Organic & biomolecular chemistry","2012","10","34","6861","6865","10.1039/c2ob26218e","","","0.71073","MoKα","","0.1188","0.0937","","","0.2036","0.216","","","","","","1.152","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152600","8.8228","0.0003","20.4039","0.0007","9.9068","0.0004","90","","106.586","0.002","90","","1709.21","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Br N O3 -","- C19 H20 Br N O3 -","- C76 H80 Br4 N4 O12 -","4","1","","Börger, Carsten; Kataeva, Olga; Knölker, Hans-Joachim","Novel approach to biscarbazole alkaloids via Ullmann coupling - synthesis of murrastifoline-A and bismurrayafoline-A.","Organic & biomolecular chemistry","2012","10","36","7269","7273","10.1039/c2ob26229k","","","0.71073","MoKα","","0.0545","0.0335","","","0.0693","0.0733","","","","","","0.904","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152601","7.6851","0.0003","16.8705","0.0005","16.3611","0.0005","90","","90","","90","","2121.24","0.12","123","","123","","","","","","","","see text","3","P b c n","-P 2n 2ab","60","","","","- C28 H30 O -","- C28 H30 O -","- C112 H120 O4 -","4","0.5","","Posavec, Damir; Zabel, Manfred; Bogner, Udo; Bernhardt, Günther; Knör, Günther","Functionalized derivatives of 1,4-dimethylnaphthalene as precursors for biomedical applications: synthesis, structures, spectroscopy and photochemical activation in the presence of dioxygen.","Organic & biomolecular chemistry","2012","10","35","7062","7069","10.1039/c2ob26236c","","x-ray","1.54184","CuKα","","0.051","0.0444","","","0.1234","0.1282","","","","","","1.059","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152602","8.1442","0.0003","4.8533","0.0002","27.81","0.0011","90","","94.01","0.004","90","","1096.53","0.07","123","","123","","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O -","- C14 H16 O -","- C56 H64 O4 -","4","1","","Posavec, Damir; Zabel, Manfred; Bogner, Udo; Bernhardt, Günther; Knör, Günther","Functionalized derivatives of 1,4-dimethylnaphthalene as precursors for biomedical applications: synthesis, structures, spectroscopy and photochemical activation in the presence of dioxygen.","Organic & biomolecular chemistry","2012","10","35","7062","7069","10.1039/c2ob26236c","","x-ray","1.54184","CuKα","","0.0464","0.0392","","","0.1094","0.1136","","","","","","1.051","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152603","18.3395","0.0006","19.6643","0.0005","8.8486","0.0002","90","","100.766","0.003","90","","3134.93","0.15","100","","100","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 N2 O7 -","- C34 H42 N2 O7 -","- C136 H168 N8 O28 -","4","1","","Spence, Graeme T.; White, Nicholas G.; Beer, Paul D.","Investigating the effect of macrocycle size in anion templated imidazolium-based interpenetrated and interlocked assemblies.","Organic & biomolecular chemistry","2012","10","36","7282","7291","10.1039/c2ob26237a","","","0.6889","synchrotron","","0.086","0.0738","","0.1692","0.158","0.1692","","","","","","0.9337","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152604","9.0382","0.0004","16.6844","0.0006","19.2103","0.0012","79.817","0.004","77.978","0.004","89.217","0.003","2787.9","0.2","150","","150","","","","","","","","synthesized","5","P 1","P 1","1","","","","- C51.5 H74.5 Cl5.5 N4 O7 -","- C51.5 H74.5 Cl5.5 N4 O7 -","- C103 H149 Cl11 N8 O14 -","2","2","","Spence, Graeme T.; White, Nicholas G.; Beer, Paul D.","Investigating the effect of macrocycle size in anion templated imidazolium-based interpenetrated and interlocked assemblies.","Organic & biomolecular chemistry","2012","10","36","7282","7291","10.1039/c2ob26237a","","","1.5418","CuKα","","0.121","0.1155","","0.3195","0.3081","0.3195","","","","","","1.4241","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152605","5.9235","0.0003","8.7289","0.0005","41.0305","0.0019","90","","90","","90","","2121.51","0.19","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O2 S -","- C25 H2 O2 S -","- C100 H8 O8 S4 -","4","1","","Kitanosono, Taku; Sakai, Masaru; Ueno, Masaharu; Kobayashi, Shū","Chiral-Sc catalyzed asymmetric Michael addition/protonation of thiols with enones in water.","Organic & biomolecular chemistry","2012","10","35","7134","7147","10.1039/c2ob26264a","","","0.71075","MoKα","","","0.107","","","","0.3185","","","","","","2.022","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152606","5.7153","0.0008","7.9637","0.0012","32.145","0.005","90","","90","","90","","1463.1","0.4","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O S -","- C17 O S -","- C68 O4 S4 -","4","1","","Kitanosono, Taku; Sakai, Masaru; Ueno, Masaharu; Kobayashi, Shū","Chiral-Sc catalyzed asymmetric Michael addition/protonation of thiols with enones in water.","Organic & biomolecular chemistry","2012","10","35","7134","7147","10.1039/c2ob26264a","","","0.71075","MoKα","","","0.0953","","","","0.2809","","","","","","1.65","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152607","9.1969","0.001","11.1313","0.0012","12.8767","0.0014","90","","100.477","0.002","90","","1296.3","0.2","100","0.5","100","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ritmc01","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.055","0.0417","","","0.1139","0.1247","","","","","","1.018","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152608","8.0488","0.0008","12.3096","0.0012","14.1598","0.0014","104.845","0.002","101.999","0.002","92.355","0.002","1319.8","0.2","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","ritmc04","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","2","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.1102","0.0575","","","0.1259","0.1515","","","","","","0.999","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152609","23.271","0.003","7.479","0.0011","25.546","0.004","90","","99.779","0.002","90","","4381.5","1.1","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ritmc06","","","- C21 H30 O5 Si -","- C21 H30 O5 Si -","- C168 H240 O40 Si8 -","8","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.1073","0.0516","","","0.1164","0.1425","","","","","","1","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152610","7.9801","0.0005","9.5704","0.0006","11.5449","0.0007","105.321","0.001","108.834","0.001","101.854","0.001","762.94","0.08","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","ritmc08","","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.0672","0.0492","","","0.1323","0.1457","","","","","","1.046","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152611","8.3285","0.0005","9.7137","0.0006","10.228","0.0006","102.466","0.001","109.023","0.001","97.827","0.001","744.45","0.08","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","ritmc09","","","- C17 H18 O6 -","- C17 H18 O6 -","- C34 H36 O12 -","2","1","","Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.","Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.","Organic & biomolecular chemistry","2012","10","37","7483","7486","10.1039/c2ob26295a","","","0.71073","MoKα","","0.0867","0.0497","","","0.1189","0.1404","","","","","","1.02","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152612","5.551","0.003","11.084","0.006","24.666","0.014","90","","90","","90","","1517.6","1.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Yang, Lihua; Xie, Peizhong; Li, Erqing; Li, Xin; Huang, You; Chen, Ruyu","Phosphine-catalyzed domino reaction: an efficient method for the synthesis of highly functionalized spirooxazolines.","Organic & biomolecular chemistry","2012","10","37","7628","7634","10.1039/c2ob26338f","","","0.71073","MoKα","","0.0602","0.0483","","","0.0872","0.0927","","","","","","1.021","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152613","8.6996","0.0003","9.4687","0.0003","11.8581","0.0004","87.36","0.002","71.996","0.001","77.073","0.001","905.14","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H13 N O8 -","- C22 H13 N O8 -","- C44 H26 N2 O16 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0571","0.0453","","","0.1158","0.1239","","","","","","1.043","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152614","16.028","0.0012","14.4028","0.0012","21.1809","0.0018","90","","90","","90","","4889.6","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H23 N O6 -","- C32 H23 N O6 -","- C256 H184 N8 O48 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0823","0.0553","","","0.1514","0.1638","","","","","","1.032","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152615","8.9975","0.0008","10.6797","0.0011","11.4242","0.0017","107.022","0.008","99.434","0.008","111.65","0.005","928.8","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O9 -","- C20 H18 O9 -","- C40 H36 O18 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.082","0.0465","","","0.1176","0.1294","","","","","","1.052","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152616","11.3807","0.0005","8.1698","0.0004","40.685","0.0016","90","","90","","90","","3782.8","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 O10 -","- C20 H18 O10 -","- C160 H144 O80 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0611","0.0516","","","0.1209","0.1248","","","","","","1.09","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152617","10.7404","0.0019","7.6871","0.0015","12.188","0.002","90","","91.526","0.012","90","","1005.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H13 F7 O7 -","- C20 H13 F7 O7 -","- C40 H26 F14 O14 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0564","0.0397","","","0.0895","0.0975","","","","","","1.025","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152618","22.8935","0.0006","8.2045","0.0002","21.6152","0.0005","90","","98.132","0.001","90","","4019.15","0.17","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 F O7 -","- C23 H17 F O7 -","- C184 H136 F8 O56 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0772","0.0492","","","0.1252","0.1353","","","","","","1.047","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152619","18.4149","0.0009","5.8081","0.0003","21.3309","0.0012","90","","96.645","0.003","90","","2266.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 O3 S -","- C29 H20 O3 S -","- C116 H80 O12 S4 -","4","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.1405","0.0612","","","0.1038","0.1322","","","","","","1.029","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152620","8.0894","0.0004","8.8477","0.0004","11.6944","0.0005","95.198","0.002","97.489","0.002","90.9","0.002","826.13","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 O6 -","- C22 H14 O6 -","- C44 H28 O12 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0703","0.0436","","","0.1064","0.1233","","","","","","1.043","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152621","10.5603","0.0005","8.7419","0.0004","25.2998","0.0011","90","","94.71","0.002","90","","2327.72","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H24 O3.5 -","- C31 H22 O3 -","- C124 H88 O12 -","4","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0915","0.0527","","","0.1121","0.126","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152622","9.4746","0.0004","10.2347","0.0004","11.4323","0.0004","65.728","0.002","71.993","0.002","82.309","0.002","961.06","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 O7 -","- C23 H18 O7 -","- C46 H36 O14 -","2","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.07","0.0461","","","0.1131","0.128","","","","","","1.032","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152623","36.4369","0.0012","40.2125","0.0014","6.8319","0.0002","90","","90","","90","","10010.2","0.6","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H21 N O5 -","- C31 H21 N O5 -","- C496 H336 N16 O80 -","16","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0894","0.0519","","","0.0914","0.1055","","","","","","1.089","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152624","7.6625","0.0007","22.434","0.002","25.438","0.003","90","","90","","90","","4372.8","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H20 O3 S -","- C29 H20 O3 S -","- C232 H160 O24 S8 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.1469","0.0646","","","0.1225","0.1549","","","","","","1.003","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152625","8.6837","0.0003","12.849","0.0004","13.8588","0.0005","103.171","0.002","93.108","0.002","106.795","0.002","1429.42","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Hydroxy-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium trifluoroacetate","","- C15 H14 F3 N O3 -","- C15 H14 F3 N O3 -","- C60 H56 F12 N4 O12 -","4","2","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0772","0.0704","","","0.1572","0.163","","","","","","1.153","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152626","9.9646","0.0004","11.9986","0.0005","19.3145","0.0007","90","","90","","90","","2309.27","0.16","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Hydroxy-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium chloride","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C104 H112 Cl8 N8 O8 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0569","0.0447","","","0.0928","0.098","","","","","","1.138","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152627","18.5849","0.0007","9.1076","0.0003","19.5453","0.0008","90","","112.68","0.002","90","","3052.5","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-2,5 -dioxocyclopentan-1-ide monohydrate","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","2","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0777","0.0503","","","0.1149","0.1272","","","","","","1.037","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152628","8.4223","0.0002","9.4076","0.0003","10.8996","0.0003","85.508","0.002","73.336","0.002","68.462","0.002","769.22","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-2,6- dioxocyclohexan-1-ide monhydrate","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0577","0.0434","","","0.105","0.1141","","","","","","1.028","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152629","9.6118","0.0004","10.0248","0.0006","18.7717","0.001","90","","103.18","0.003","90","","1761.13","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-4,4- dimethyl-2,6-dioxocyclohexan-1-ide","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.1063","0.0597","","","0.1305","0.1583","","","","","","1.039","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152630","8.336","0.0004","8.7036","0.0003","12.122","0.0006","89.456","0.003","85.19","0.002","65.248","0.003","795.56","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C38 H38 N6 O6 -","2","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0631","0.0489","","","0.1265","0.135","","","","","","1.108","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152631","8.8717","0.0003","11.5384","0.0003","15.619","0.0005","90","","95.98","0.003","90","","1590.14","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0529","0.0387","","","0.0933","0.0966","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152632","10.1338","0.0003","16.0686","0.0005","10.9554","0.0004","90","","95.661","0.003","90","","1775.23","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(1!,1!-Diethyl-1!,2!-dihydrobenzo[cd]indol-1!-ium-2!-yl)-4,6- dioxo-1,3-dioxan-5-ide","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0554","0.0376","","","0.0901","0.0942","","","","","","1.023","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152633","6.827","0.0004","8.763","0.0005","13.1899","0.0007","102.408","0.004","98.689","0.004","94.696","0.003","756.45","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1(1-(dimethylamino)naphth-8-yl)-2,2-bis(acetyl)ethene","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C36 H38 N2 O4 -","2","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.095","0.0571","","","0.1261","0.1392","","","","","","1.056","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152634","31.2818","0.0006","7.0957","0.0001","16.7814","0.0003","90","","107.374","0.001","90","","3554.96","0.11","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1!-Ethyl-2,2,2!-trimethyl-2!,4!-dihydro-1!H-spiro((1,3)dioxane- 5,3!-naphtho[1,8-bc]azepine)-4,6-dione","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C168 H184 N8 O32 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0531","0.0447","","","0.1151","0.1204","","","","","","1.102","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152635","15.0771","0.0005","6.6633","0.0002","15.52","0.0006","90","","109.378","0.004","90","","1470.86","0.09","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Ethyl-2-methyl-1,2-dihydronaphtho[1,8-bc]azepine-3,3(4H)-dicarbonitrile","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0496","0.0381","","","0.0949","0.0981","","","","","","1.088","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152636","15.9448","0.0012","7.743","0.0006","26.4365","0.0018","90","","90","","90","","3263.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1!-Methyl-2!,4!-dihydro-1!H-spiro(indene-2,3!-naphtho[1,8-bc]azepine)-1,3-dione","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C176 H136 N8 O16 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0919","0.0472","","","0.1088","0.1192","","","","","","0.993","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152637","8.8403","0.0005","11.1099","0.0007","35.459","0.002","90","","90","","90","","3482.6","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H43 N O11 P2 -","- C30 H43 N O11 P2 -","- C120 H172 N4 O44 P8 -","4","1","","Zhao, Mei-Xin; Dai, Tong-Lei; Liu, Ran; Wei, Deng-Ke; Zhou, Hao; Ji, Fei-Hu; Shi, Min","Enantioselective Michael addition of 3-aryloxindoles to a vinyl bisphosphonate ester catalyzed by a cinchona alkaloid derived thiourea catalyst.","Organic & biomolecular chemistry","2012","10","39","7970","7979","10.1039/c2ob25966d","","","0.71073","MoKα","","0.0632","0.054","","","0.1483","0.1578","","","","","","1.058","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152638","9.5751","0.0003","14.6142","0.0005","10.3886","0.0003","90","","102.503","0.002","90","","1419.23","0.08","100","","100","","","","","","","","LOC ETH Zurich","6","P 1 21 1","P 2yb","4","","","","- C31 H25 N O4 S2 Si -","- C31 H25 N O4 S2 Si -","- C62 H50 N2 O8 S4 Si2 -","2","1","","Wu, Yi-Lin; Ferroni, Fiammetta; Pieraccini, Silvia; Schweizer, W. Bernd; Frank, Brian B.; Spada, Gian Piero; Diederich, François","1,2-Di(phenylethynyl)ethenes with axially chiral, 2,2'-bridged 1,1'-binaphthyl substituents: potent cholesteric liquid-crystal inducers.","Organic & biomolecular chemistry","2012","10","39","8016","8026","10.1039/c2ob25983d","","","0.71073","MoKα","","0.0411","0.0371","","","0.0911","0.0943","","","","","","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152639","9.243","0.003","7.153","0.002","8.902","0.003","90","","91.489","0.004","90","","588.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","1","","Ha, Khanh; Monbaliu, Jean-Christophe M; Williams, Byron C.; Pillai, Girinath G.; Ocampo, Charles E.; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.","A convenient synthesis of difficult medium-sized cyclic peptides by Staudinger mediated ring-closure.","Organic & biomolecular chemistry","2012","10","40","8055","8058","10.1039/c2ob25996f","","","0.71073","MoKα","","0.037","0.0346","","","0.0943","0.0965","","","","","","1.053","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152640","5.65","0.0016","7.884","0.002","9.777","0.003","110.051","0.003","90.33","0.004","109.728","0.003","381.45","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C14 H24 N4 O4 -","2","1","","Ha, Khanh; Monbaliu, Jean-Christophe M; Williams, Byron C.; Pillai, Girinath G.; Ocampo, Charles E.; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.","A convenient synthesis of difficult medium-sized cyclic peptides by Staudinger mediated ring-closure.","Organic & biomolecular chemistry","2012","10","40","8055","8058","10.1039/c2ob25996f","","","0.71073","MoKα","","0.0367","0.0353","","","0.0954","0.0965","","","","","","1.039","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152641","32.024","0.003","10.619","0.0009","21.2363","0.0015","90","","90.467","0.003","90","","7221.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 Cl2 N5 O11 Zn -","- C33 H39 Cl2 N5 O11 Zn -","- C264 H312 Cl16 N40 O88 Zn8 -","8","1","","Rao, Alla Sreenivasa; Singha, Subhankar; Choi, Wonyoung; Ahn, Kyo Han","Studies on acedan-based mononuclear zinc complexes toward selective fluorescent probes for pyrophosphate.","Organic & biomolecular chemistry","2012","10","42","8410","8417","10.1039/c2ob26000j","","","0.71073","MoKα","","0.1454","0.0599","","","0.1148","0.1449","","","","","","0.997","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152642","15.2071","0.0006","31.4686","0.0013","15.2236","0.0006","90","","97.554","0.004","90","","7222","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5,10,15,20-tetratolyl-2-aza-3,21-bis(diphenylphosphoryl)-21- carbaporphiryn 3.25 dichloromethane solvate","5,10,15,20-tetratolyl-2-aza-3,21-bis(diphenylphosphoryl)-21-carbaporphiryn 3.25 dichloromethane solvate","","- C75.25 H62.5 Cl6.5 N4 O2 P2 -","- C74 H60 Cl4 N4 O2 P2 -","- C296 H240 Cl16 N16 O8 P8 -","4","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.211","0.0996","","","0.2146","0.2344","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152643","22.7262","0.0008","9.7497","0.0004","29.1825","0.0015","90","","122.445","0.003","90","","5456.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Silver(III) complex of 5,10,15,20-tetratolyl-2-aza-3-diphenylphosphoryl-21-carbaporphiryn hexane and dichloromethane solvate","","- C67.1 H70.2 Ag Cl2.2 Cs0 N4 O P -","- C61.1 H46.2 Ag Cl2.2 N4 O P -","- C244.4 H184.8 Ag4 Cl8.8 N16 O4 P4 -","4","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.1919","0.0579","","","0.0901","0.0976","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152644","14.482","0.003","13.25","0.003","29.776","0.007","90","","116.67","0.03","90","","5106","2","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","5,10,15,20-tetratolyl-2-aza-21-diphenylthiophosphoryl-21-carbaporphiryn 2.6 dichloromethane solvate","","- C122.58 H99.16 Cl5.16 N8 P2 S2 -","- C122.581 H99.162 Cl5.162 N8 P2 S2 -","- C245.162 H198.324 Cl10.324 N16 P4 S4 -","2","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.0947","0.0627","","","0.1517","0.1615","","","","","","1.001","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152645","14.678","0.004","15.687","0.004","20.796","0.006","90","","100.53","0.03","90","","4708","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,10,15,20-Tetratolyl-2-aza-21-carbaporphiryno-21-diphenylphosphinodithioate","","- C60 H47 N4 P S2 -","- C60 H47 N4 P S2 -","- C240 H188 N16 P4 S8 -","4","1","","Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła","Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.","Organic & biomolecular chemistry","2012","10","40","8064","8075","10.1039/c2ob26019k","","","0.71073","MoKα","","0.1149","0.0553","","","0.1111","0.1174","","","","","","1.012","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152646","11.966","0.002","10.7644","0.0019","17.134","0.003","90","","107.503","0.003","90","","2104.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 F N3 O2 -","- C23 H22 F N3 O2 -","- C92 H88 F4 N12 O8 -","4","1","","Nair, Vijay; Jose, Anu; Lakshmi, K. C. Seetha; Rajan, Rejithamol; Suresh, Eringathodi","A facile four component protocol for the synthesis of dihydropyridine derivatives.","Organic & biomolecular chemistry","2012","10","38","7747","7752","10.1039/c2ob26074c","","","0.71073","MoKα","","0.1192","0.105","","","0.2015","0.208","","","","","","1.343","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152647","19.2003","0.0006","6.7203","0.0002","11.034","0.0004","90","","99.379","0.002","90","","1404.7","0.08","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","0.5","","Pillay, Adushan; Rousseau, Amanda L.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.","Organic & biomolecular chemistry","2012","10","38","7809","7819","10.1039/c2ob26126j","","","0.71073","MoKα","","0.0561","0.0439","","","0.1176","0.1261","","","","","","1.069","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152648","13.913","0.004","13.475","0.004","8.404","0.003","90","","94.246","0.009","90","","1571.2","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O9 -","- C16 H15 N O9 -","- C64 H60 N4 O36 -","4","1","","Pillay, Adushan; Rousseau, Amanda L.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.","Organic & biomolecular chemistry","2012","10","38","7809","7819","10.1039/c2ob26126j","","","0.71073","MoKα","","0.1857","0.0497","","","0.0821","0.116","","","","","","0.874","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152649","8.4652","0.0002","9.605","0.0002","9.634","0.0002","111.536","0.001","90.649","0.002","98.224","0.002","719.41","0.03","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C34 H32 O12 -","2","1","","Pillay, Adushan; Rousseau, Amanda L.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.","Organic & biomolecular chemistry","2012","10","38","7809","7819","10.1039/c2ob26126j","","","0.71073","MoKα","","0.0665","0.0421","","","0.115","0.1269","","","","","","1.017","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152650","10.659","0.0014","11.1175","0.0008","11.4796","0.0008","115.03","0.003","100.751","0.004","101.47","0.004","1150.5","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H24 N2 O4 Se -","- C28 H23.5 N2 O4 Se -","- C56 H47 N4 O8 Se2 -","2","2","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0524","0.0343","","","0.0784","0.0851","","","","","","1.014","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152651","21.023","0.002","13.153","0.002","11.8836","0.0018","90","","121.836","0.007","90","","2791.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H16 Br2 N2 O6 Se -","- C27 H16 Br2 N2 O6 Se -","- C108 H64 Br8 N8 O24 Se4 -","4","0.5","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.1612","0.0638","","","0.1485","0.1843","","","","","","0.961","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152652","27.425","0.006","5.1133","0.0009","17.468","0.004","90","","109.987","0.013","90","","2302","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O2 Se -","- C28 H24 N2 O2 Se -","- C112 H96 N8 O8 Se4 -","4","0.5","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.1427","0.0513","","","0.1194","0.1565","","","","","","0.93","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152653","10.1344","0.0003","10.3521","0.0003","12.1801","0.0004","82.512","0.002","78.896","0.002","79.956","0.002","1228.5","0.07","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H N2 O4 Se -","- C28 H21.5 N2 O4 Se -","- C56 H43 N4 O8 Se2 -","2","2","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0761","0.0429","","","0.1011","0.1155","","","","","","1.01","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152654","15.0038","0.0007","9.2872","0.0004","17.4994","0.0007","90","","105.64","0.002","90","","2348.14","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 O4 Se -","- C28 H22 N2 O4 Se -","- C112 H88 N8 O16 Se4 -","4","1","","Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy","Spirodiazaselenuranes: synthesis, structure and antioxidant activity.","Organic & biomolecular chemistry","2012","10","39","7933","7943","10.1039/c2ob26156a","","","0.71073","MoKα","","0.0401","0.0263","","","0.0592","0.0651","","","","","","1.007","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152655","9.7433","0.0003","11.3443","0.0004","18.273","0.0007","90","","90","","90","","2019.73","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O8 -","- C18 H20 Cl N O8 -","- C72 H80 Cl4 N4 O32 -","4","1","","Guo, Zhi-Wei; Xie, Jian-Wu; Chen, Ce; Zhu, Wei-Dong","Asymmetric catalytic [4 + 1] annulations catalyzed by quinidine: enantioselective synthesis of multi-functionalized isoxazoline N-oxides.","Organic & biomolecular chemistry","2012","10","42","8471","8477","10.1039/c2ob26165k","","","0.71073","MoKα","","","0.0525","","","0.1088","0.1305","","","","","","1.024","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152656","6.4262","0.0003","9.951","0.0003","10.4639","0.0004","73.787","0.002","86.704","0.002","75.894","0.002","623.11","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 F5 N O4 -","- C10 H10 F5 N O4 -","- C20 H20 F10 N2 O8 -","2","1","","Kondratov, Ivan S.; Dolovanyuk, Violetta G.; Tolmachova, Nataliya A.; Gerus, Igor I.; Bergander, Klaus; Fröhlich, Roland; Haufe, Günter","Reactions of β-alkoxyvinyl polyfluoroalkyl ketones with ethyl isocyanoacetate and its use for the synthesis of new polyfluoroalkyl pyrroles and pyrrolidines.","Organic & biomolecular chemistry","2012","10","44","8778","8785","10.1039/c2ob26176f","","","0.71073","MoKα","","0.0763","0.0646","","","0.1438","0.1566","","","","","","1.066","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152657","7.2879","0.0001","18.6931","0.0003","21.3386","0.0004","90","","90","","90","","2907.03","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 Cl2 Pd2 -","- C28 H42 Cl2 Pd2 -","- C112 H168 Cl8 Pd8 -","4","1","","Fernandes, Rodney A.; Nallasivam, Jothi L.","Enantioselective allylation of imines catalyzed by newly developed (-)-β-pinene-based π-allylpalladium catalyst: an efficient synthesis of (R)-α-propylpiperonylamine and (R)-pipecolic acid.","Organic & biomolecular chemistry","2012","10","38","7789","7800","10.1039/c2ob26188j","","","0.71073","MoKα","","0.029","0.0255","","","0.0625","0.0632","","","","","","1.005","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152658","18.8854","0.0016","18.8854","0.0016","12.9167","0.0011","90","","90","","120","","3989.6","0.6","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C25 H31 N O9 -","- C25 H31 N O9 -","- C150 H186 N6 O54 -","6","1","","Huang, Xiao-Fei; Liu, Zhao-Min; Geng, Zhi-Cong; Zhang, Shao-Yun; Wang, Yong; Wang, Xing-Wang","Enantioselective construction of multifunctionalized spirocyclohexaneoxindoles through organocatalytic Michael-Aldol cyclization of isatin derived alkenes with linear dialdehydes.","Organic & biomolecular chemistry","2012","10","44","8794","8799","10.1039/c2ob26205c","","","0.7107","MoKα","","0.0961","0.0819","","","0.2295","0.2389","","","","","","1.091","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152659","17.79","0.004","20.166","0.004","6.7371","0.0013","90","","90","","90","","2417","0.9","273","2","273","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C13 H6 F3 N3 S -","- C13 H6 F2.97 N3 S -","- C104 H48 F23.76 N24 S8 -","8","","","Zhang, Xinhai; Jia, Jiong; Ma, Chen","A one-pot regioselective synthesis of benzo[d]imidazo[2,1-b]thiazoles.","Organic & biomolecular chemistry","2012","10","39","7944","7948","10.1039/c2ob26211h","","","0.71073","MoKα","","0.045","0.0317","","","0.076","0.0841","","","","","","1.038","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152660","18.198","0.004","13.615","0.003","17.77","0.004","90","","94.937","0.003","90","","4386.5","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 N7 O5 -","- C49 H45 N7 O5 -","- C196 H180 N28 O20 -","4","1","","Huang, Liang; Hou, Fengping; Cheng, Ju; Xi, Pinxian; Chen, Fengjuan; Bai, Decheng; Zeng, Zhengzhi","Selective off-on fluorescent chemosensor for detection of Fe(3+) ions in aqueous media.","Organic & biomolecular chemistry","2012","10","48","9634","9638","10.1039/c2ob26258d","","","0.71073","MoKα","","0.0937","0.0538","","","0.1546","0.1854","","","","","","1.102","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152661","13.6753","0.0018","8.3473","0.0011","15.493","0.002","90","","90","","90","","1768.6","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C76 H68 Cl4 N8 O12 -","4","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0766","0.0541","","","0.1323","0.1484","","","","","","1.027","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152662","7.1538","0.0006","8.3848","0.0007","15.2827","0.0013","78.938","0.001","87.667","0.001","75.921","0.001","872.63","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br Cl N2 O3 -","- C18 H14 Br Cl N2 O3 -","- C36 H28 Br2 Cl2 N4 O6 -","2","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0514","0.0431","","","0.1072","0.1128","","","","","","1.04","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152663","19.125","0.005","7.3751","0.0019","22.492","0.006","90","","90","","90","","3172.5","1.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C144 H128 N16 O24 -","8","2","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0598","0.0521","","","0.1346","0.1442","","","","","","1.012","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152664","15.8541","0.0016","7.1382","0.0007","16.7066","0.0017","90","","114.406","0.002","90","","1721.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C76 H68 Cl4 N8 O12 -","4","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0462","0.0438","","","0.1219","0.1245","","","","","","1.018","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152665","12.238","0.004","8.006","0.003","28.867","0.01","90","","90","","90","","2828.3","1.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C128 H112 N16 O32 -","8","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.1151","0.0641","","","0.159","0.1919","","","","","","1.062","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152666","8.853","0.007","15.935","0.013","17.189","0.014","113.95","0.004","100.455","0.008","100.051","0.009","2095","3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H40 Cl2 S8 Si2 -","- C35 H40 Cl2 S8 Si2 -","- C70 H80 Cl4 S16 Si4 -","2","1","","Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming","Conformational control of TTFV π-frameworks through naphthyl substituents.","Organic & biomolecular chemistry","2012","10","38","7673","7676","10.1039/c2ob26275d","","","0.71075","MoKα","","0.1067","0.0834","","","0.2162","0.2453","","","","","","1.075","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152667","10.433","0.008","12.641","0.008","12.954","0.008","66.52","0.03","73.94","0.02","83.87","0.03","1505.8","1.8","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 S8 -","- C32 H26 S8 -","- C64 H52 S16 -","2","1","","Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming","Conformational control of TTFV π-frameworks through naphthyl substituents.","Organic & biomolecular chemistry","2012","10","38","7673","7676","10.1039/c2ob26275d","","","0.71075","MoKα","","0.1235","0.0987","","","0.2593","0.3004","","","","","","1.089","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152668","20.472","0.008","9.432","0.003","15.9","0.006","90","","93.519","0.005","90","","3064.4","1.9","163","2","163","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 S8 -","- C32 H26 S8 -","- C128 H104 S32 -","4","0.5","","Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming","Conformational control of TTFV π-frameworks through naphthyl substituents.","Organic & biomolecular chemistry","2012","10","38","7673","7676","10.1039/c2ob26275d","","","0.71075","MoKα","","0.0586","0.0568","","","0.1624","0.1647","","","","","","1.182","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152669","10.667","0.002","9.913","0.002","20.138","0.004","90","","111.543","0.009","90","","1980.7","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 O4 P S -","- C21 H23 O4 P S -","- C84 H92 O16 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0728","0.0697","","","0.1355","0.1371","","","","","","1.301","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152670","9.127","0.002","17.133","0.003","12.58","0.003","90","","93.34","0.02","90","","1963.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 O4 P S -","- C21 H23 O4 P S -","- C84 H92 O16 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0822","0.0415","","","0.0871","0.0963","","","","","","0.871","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152671","12.3185","0.0007","12.0813","0.0007","18.8019","0.0008","90","","130.587","0.002","90","","2125","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 O5 P S -","- C22 H25 O5 P S -","- C88 H100 O20 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.08","0.0687","","","0.1544","0.1606","","","","","","1.168","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152672","5.952","0.002","9.834","0.004","36.141","0.014","90","","94.321","0.007","90","","2109.4","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 O5 P S -","- C22 H25 O5 P S -","- C88 H100 O20 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0797","0.0593","","","0.1458","0.1616","","","","","","1.077","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152673","6.8884","0.0005","22.6134","0.0016","11.3005","0.0007","90","","111.284","0.003","90","","1640.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 O4 P S -","- C16 H21 O4 P S -","- C64 H84 O16 P4 S4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0542","0.0497","","","0.1166","0.1195","","","","","","1.132","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152674","21.0466","0.0015","11.4539","0.0008","9.9034","0.0007","90","","91.019","0.001","90","","2387","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N2 O4 P -","- C28 H27 N2 O4 P -","- C112 H108 N8 O16 P4 -","4","1","","Phani Pavan, M.; Nagarjuna Reddy, M.; Bhuvan Kumar, N. N.; Kumara Swamy, K. C.","Base catalysed synthesis of thiochromans and azo-linked chromenes using allenylphosphonates.","Organic & biomolecular chemistry","2012","10","40","8113","8118","10.1039/c2ob26285a","","","0.71073","MoKα","","0.0508","0.0474","","","0.1156","0.1178","","","","","","1.082","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152675","9.0438","0.0008","12.1015","0.0012","14.1578","0.0014","98.54","0.05","108.13","0.04","110.06","0.03","1325.5","0.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N4 O3 -","- C29 H32 N4 O3 -","- C58 H64 N8 O6 -","2","1","","Wang, Jingze; Yang, Qiwu; Song, Haibin; Zhang, Wenqin","A fluorescent probe of N'-formyl-rhodamine B hydrazide: structure and spectral properties of protonation behaviour.","Organic & biomolecular chemistry","2012","10","38","7677","7680","10.1039/c2ob26288f","","","0.71073","MoKα","","0.0652","0.0424","","","0.0954","0.1037","","","","","","0.94","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152676","8.3211","0.0005","9.7981","0.0006","10.1922","0.0006","73.183","0.002","70.006","0.002","85.591","0.002","747.27","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Chen, Bo; Wang, Nan; Fan, Wu; Ma, Shengming","Efficient synthesis of N-(buta-2,3-dienyl) amides from terminal N-propargyl amides and their synthetic potential towards oxazoline derivatives.","Organic & biomolecular chemistry","2012","10","42","8465","8470","10.1039/c2ob26291f","","","0.71073","MoKα","","0.0494","0.0374","","","0.0934","0.1008","","","","","","1.065","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152677","37.471","0.004","23.257","0.003","23.235","0.003","90","","90","","90","","20248","4","100","2","100","2","","","","","","","Jenny Hiscock","5","P n a 21","P 2c -2n","33","","","","- C160 H354 N18 O46 P8 -","- C160 H330 N18 O46 P8 -","- C640 H1320 N72 O184 P32 -","4","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.1476","0.1207","","","0.313","0.3509","","","","","","1.257","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152678","8.515","0.005","19.245","0.01","21.792","0.012","72.207","0.019","83.15","0.03","80.58","0.02","3345","3","100","2","100","2","","","","","","","Jenny Hiscock","4","P 1","P 1","1","","","","- C71 H101 N9 O6 -","- C71 H101 N9 O6 -","- C142 H202 N18 O12 -","2","2","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.111","0.0951","","","0.1811","0.191","","","","","","1.164","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152679","21.771","0.011","8.336","0.004","21.888","0.011","90","","119.815","0.005","90","","3447","3","100","2","100","2","","","","","","","Jenny Hiscock","4","P 1 n 1","P -2yac","7","","","","- C72 H105 N9 O7 -","- C72 H105 N9 O7 -","- C144 H210 N18 O14 -","2","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.116","0.0956","","","0.1508","0.1706","","","","","","1.088","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152680","18.588","0.008","13.759","0.006","23.034","0.01","90","","96.793","0.006","90","","5850","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H93 N9 O6 S -","- C58 H93 N9 O6 S -","- C232 H372 N36 O24 S4 -","4","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.1849","0.1126","","","0.264","0.3135","","","","","","1.108","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152681","11.756","","14.575","","11.52","","90","","90","","90","","1973.88","","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 Br O5 -","- C22 H17 Br O5 -","- C88 H68 Br4 O20 -","4","1","","Wang, Ying; Yu, Zhi-Hua; Zheng, Hu-Fei; Shi, De-Qing","DABCO and Bu3P catalyzed [4 + 2] and [3 + 2] cycloadditions of 3-acyl-2H-chromen-ones and ethyl 2,3-butadienoate.","Organic & biomolecular chemistry","2012","10","38","7739","7746","10.1039/c2ob26300a","","","0.71073","MoKα","","0.092","0.0394","","","0.0809","0.0971","","","","","","0.986","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152682","9.7129","0.0016","10.5113","0.0017","10.7041","0.0017","107.55","0.002","105.744","0.002","98.461","0.002","971.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 Cl O5 -","- C22 H17 Cl O5 -","- C44 H34 Cl2 O10 -","2","1","","Wang, Ying; Yu, Zhi-Hua; Zheng, Hu-Fei; Shi, De-Qing","DABCO and Bu3P catalyzed [4 + 2] and [3 + 2] cycloadditions of 3-acyl-2H-chromen-ones and ethyl 2,3-butadienoate.","Organic & biomolecular chemistry","2012","10","38","7739","7746","10.1039/c2ob26300a","","","0.71073","MoKα","","0.0618","0.0499","","","0.1514","0.1632","","","","","","1.086","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152683","13.17","0.0007","12.2955","0.0005","20.5036","0.0009","90","","103.669","0.005","90","","3226.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 N5 O -","- C37 H45 N5 O -","- C148 H180 N20 O4 -","4","1","","Gotor, Raúl; Costero, Ana M.; Gil, Salvador; Parra, Margarita; Ochando, Luis E.; Chulvi, Katherine","Inversion of selectivity in anion recognition with conformationally blocked calix[4]pyrroles.","Organic & biomolecular chemistry","2012","10","42","8445","8451","10.1039/c2ob26309b","","","0.71073","MoKα","","0.1243","0.0603","","","0.1196","0.1513","","","","","","1.035","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152684","10.051","0.003","10.22","0.005","20.088","0.007","76.98","0.04","76.86","0.03","86.88","0.03","1957.8","1.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 N6 O2 -","- C46 H54 N6 O2 -","- C92 H108 N12 O4 -","2","1","","Gotor, Raúl; Costero, Ana M.; Gil, Salvador; Parra, Margarita; Ochando, Luis E.; Chulvi, Katherine","Inversion of selectivity in anion recognition with conformationally blocked calix[4]pyrroles.","Organic & biomolecular chemistry","2012","10","42","8445","8451","10.1039/c2ob26309b","","","0.71073","MoKα","","0.2362","0.1","","","0.1336","0.1997","","","","","","0.972","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152685","9.7636","0.0008","9.9508","0.0009","11.0156","0.0013","108.945","0.002","99.716","0.001","104.409","0.001","943.33","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H29 N4 O5.5 -","- C24 H22 N2 O -","- C48 H44 N4 O2 -","2","1","","Jiang, Bo; Wang, Xue; Li, Meng-Yuan; Wu, Qiong; Ye, Qin; Xu, Hai-Wei; Tu, Shu-Jiang","A domino synthetic strategy leading to two-carbon-tethered fused acridine/indole pairs and fused acridine derivatives.","Organic & biomolecular chemistry","2012","10","42","8533","8538","10.1039/c2ob26315g","","","0.71073","MoKα","","0.0832","0.0527","","","0.1306","0.1448","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152686","9.8221","0.0009","10.078","0.001","11.4409","0.0012","109.877","0.002","103.016","0.001","102.588","0.001","982.6","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C46 H38 Cl2 N4 O2 -","2","1","","Jiang, Bo; Wang, Xue; Li, Meng-Yuan; Wu, Qiong; Ye, Qin; Xu, Hai-Wei; Tu, Shu-Jiang","A domino synthetic strategy leading to two-carbon-tethered fused acridine/indole pairs and fused acridine derivatives.","Organic & biomolecular chemistry","2012","10","42","8533","8538","10.1039/c2ob26315g","","","0.71073","MoKα","","0.0908","0.0489","","","0.1012","0.1139","","","","","","1.041","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152687","11.7549","0.0006","13.7175","0.0009","20.1662","0.0013","84.294","0.003","75.25","0.004","89.894","0.004","3128.1","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 Cl N O2 Si -","- C33 H44 Cl N O2 Si -","- C132 H176 Cl4 N4 O8 Si4 -","4","2","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.1063","0.0729","","","0.1677","0.1828","","","","","","1.128","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152688","7.7031","0.0003","9.8991","0.0006","15.8805","0.0008","90","","98.831","0.003","90","","1196.59","0.11","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H41 N O2 Si -","- C24 H41 N O2 Si -","- C48 H82 N2 O4 Si2 -","2","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.0586","0.0439","","","0.1016","0.1107","","","","","","1.048","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152689","9.6609","0.0009","11.5354","0.0011","9.136","0.0005","90","","90","","90","","1018.14","0.15","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C44 H64 N8 O4 -","4","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.71073","MoKα","","0.0803","0.0401","","","0.0754","0.0878","","","","","","0.982","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152690","8.4675","0.0015","11.662","0.002","8.682","0.0016","90","","103.279","0.005","90","","834.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C38 H48 N4 O4 -","2","1","","Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.","Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.","Organic & biomolecular chemistry","2012","10","45","8963","8974","10.1039/c2ob26333e","","","0.6885","synchrotron","","0.0745","0.0643","","","0.1524","0.1555","","","","","","0.999","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152691","5.7251","0.001","12.062","0.002","12.371","0.002","82.492","0.003","80.563","0.003","81.462","0.003","828.4","0.2","25","","25","","","","","","","","","4","P -1","-P 1","2","carboline","(3-benzyl-2-ethyl-7-methoxy-9H-pyrido[2,3-b]indole)","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C42 H40 N4 O2 -","2","1","","Basavaiah, Deevi; Mallikarjuna Reddy, Daggula","Baylis-Hillman acetates in organic synthesis: convenient one-pot synthesis of α-carboline framework - a concise synthesis of neocryptolepine.","Organic & biomolecular chemistry","2012","10","44","8774","8777","10.1039/c2ob26339d","","","0.71073","MoKα","","0.0793","0.0601","","","0.1227","0.1314","","","","","","1.15","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152692","7.9981","0.0014","10.353","0.0018","16.174","0.003","90","","92.804","0.003","90","","1337.7","0.4","25","","25","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2-[2-Cyano-2-(2-nitrophenyl)]ethylcyclohex-2-en-1-one)","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Basavaiah, Deevi; Mallikarjuna Reddy, Daggula","Baylis-Hillman acetates in organic synthesis: convenient one-pot synthesis of α-carboline framework - a concise synthesis of neocryptolepine.","Organic & biomolecular chemistry","2012","10","44","8774","8777","10.1039/c2ob26339d","","","0.71073","MoKα","","0.0637","0.0585","","","0.1535","0.1589","","","","","","0.948","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152693","26.28","0.01","10.188","0.004","16.786","0.006","90","","124.377","0.007","90","","3709","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N3 O2 S -","- C20 H21 N3 O2 S -","- C160 H168 N24 O16 S8 -","8","1","","Zhang, Zhe; Wang, Fang-Wu; Wang, Sheng-Qing; Ge, Fei; Zhao, Bao-Xiang; Miao, Jun-Ying","A highly sensitive fluorescent probe based on simple pyrazoline for Zn(2+) in living neuron cells.","Organic & biomolecular chemistry","2012","10","43","8640","8644","10.1039/c2ob26375k","","","0.71073","MoKα","","0.1492","0.0624","","","0.1474","0.1924","","","","","","0.989","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152694","14.8086","0.0016","8.8273","0.001","12.8851","0.0014","90","","108.871","0.002","90","","1593.8","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Zhang, Zhe; Wang, Fang-Wu; Wang, Sheng-Qing; Ge, Fei; Zhao, Bao-Xiang; Miao, Jun-Ying","A highly sensitive fluorescent probe based on simple pyrazoline for Zn(2+) in living neuron cells.","Organic & biomolecular chemistry","2012","10","43","8640","8644","10.1039/c2ob26375k","","","0.71073","MoKα","","0.0649","0.0459","","","0.1328","0.153","","","","","","0.959","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152695","10.673","0.005","8.677","0.004","12.475","0.006","90","","90.403","0.007","90","","1155.3","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H20 Cl N3 O2 S -","- C27 H20 Cl N3 O2 S -","- C54 H40 Cl2 N6 O4 S2 -","2","1","","Jiang, Lingyong; Yu, Xingxin; Fang, Bing; Wu, Jie","Silver triflate-catalyzed tandem reaction of N'-(2-alkynylbenzylidene)hydrazide with pyridyne.","Organic & biomolecular chemistry","2012","10","40","8102","8107","10.1039/c2ob26379c","","","0.71073","MoKα","","0.0484","0.045","","","0.1308","0.1346","","","","","","0.914","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152696","7.271","0.0004","13.0197","0.0006","22.3322","0.0011","90","","90","","90","","2114.11","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl F4 N -","- C22 H22 Cl F4 N -","- C88 H88 Cl4 F16 N4 -","4","1","","Chia, Poh Wai; Brennan, Sarah C.; Slawin, Alexandra M. Z.; Riccardi, Daniela; O'Hagan, David","Allosteric agonists of the calcium receptor (CaR): fluorine and SF5 analogues of cinacalcet.","Organic & biomolecular chemistry","2012","10","39","7922","7927","10.1039/c2ob26402a","","","1.54178","CuKα","","0.0726","0.0704","","","0.1892","0.1918","","","","","","1.039","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152697","20.206","0.004","8.8525","0.0016","22.032","0.004","90","","94.898","0.003","90","","3926.6","1.3","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C176 H176 N16 O48 -","8","2","","Yang, Hai-Bin; Shi, Min","Yb(NTf(2))(3)-catalyzed [3 + 3] cycloaddition between isatin ketonitrones and cyclopropanes to construct novel spiro[tetrahydro-1,2-oxazine]oxindoles.","Organic & biomolecular chemistry","2012","10","41","8236","8243","10.1039/c2ob26413g","","","0.71073","MoKα","","0.0864","0.0487","","","0.1397","0.1786","","","","","","1.095","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152698","8.7826","0.0018","9.574","0.002","13.717","0.003","89.306","0.004","81.155","0.004","83.165","0.004","1131.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C48 H48 N4 O12 -","2","1","","Yang, Hai-Bin; Shi, Min","Yb(NTf(2))(3)-catalyzed [3 + 3] cycloaddition between isatin ketonitrones and cyclopropanes to construct novel spiro[tetrahydro-1,2-oxazine]oxindoles.","Organic & biomolecular chemistry","2012","10","41","8236","8243","10.1039/c2ob26413g","","","0.71073","MoKα","","0.0672","0.05","","","0.1324","0.1445","","","","","","1.032","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152699","10.122","0.006","10.799","0.006","20.017","0.011","90","","90","","90","","2188","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O8 -","- C20 H24 Br N O8 -","- C80 H96 Br4 N4 O32 -","4","1","","Wang, Yao; Luo, Yong-Chun; Zhang, Hong-Bo; Xu, Peng-Fei","Concise construction of the tetracyclic core of lycorine-type alkaloids and the formal synthesis of α-lycorane based on asymmetric bifunctional thiourea-catalyzed cascade reaction.","Organic & biomolecular chemistry","2012","10","41","8211","8215","10.1039/c2ob26422f","","","0.71073","MoKα","","0.1185","0.0546","","","0.1393","0.1905","","","","","","0.767","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152700","17.6423","0.0005","7.4224","0.0002","13.8157","0.0004","90","","109.299","0.0012","90","","1707.48","0.08","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0341","0.0329","","0.0804","0.0791","0.0804","","","","","","0.9999","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152701","11.5793","0.0002","9.778","0.0002","23.1685","0.0004","90","","101.922","0.0007","90","","2566.61","0.08","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","2","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0796","0.0625","","0.1736","0.1507","0.1735","","","","","","0.9698","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152702","26.1913","0.0002","7.9118","0.0001","23.6522","0.0003","90","","122.556","0.0005","90","","4131.06","0.08","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C160 H208 N16 O64 -","16","2","","Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.","Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.","Organic & biomolecular chemistry","2012","10","39","7863","7868","10.1039/c2ob26423d","","","0.71073","MoKα","","0.0587","0.0446","","0.1314","0.1106","0.1314","","","","","","0.9355","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152703","7.7576","0.0003","6.007","0.0002","14.7572","0.0006","90","","93.71","0.002","90","","686.24","0.04","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C36 H24 N4 O2 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0295","0.0275","","","0.067","0.0687","","","","","","1.089","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152704","11.0917","0.0005","17.5158","0.0006","16.208","0.0006","90","","109.615","0.002","90","","2966.2","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H11 Cl N2 O -","- C18 H11 Cl N2 O -","- C144 H88 Cl8 N16 O8 -","8","2","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0503","0.0449","","","0.131","0.1369","","","","","","1.068","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152705","7.446","0.004","7.67","0.003","16.378","0.01","96.97","0.04","102.06","0.02","118.99","0.02","772.5","0.7","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C38 H28 N4 O4 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.102","0.0897","","","0.2758","0.292","","","","","","1.173","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152706","6.355","","8.01","","24.798","","90","","90","","90","","1262.31","","200","2","200","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0546","0.0391","","","0.0921","0.103","","","","","","0.946","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152707","11.0681","0.0003","9.2126","0.0003","13.3847","0.0003","90","","90.01","0.001","90","","1364.78","0.07","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 O3 -","- C14 H9 Cl N2 O3 -","- C56 H36 Cl4 N8 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0511","0.0372","","","0.0906","0.098","","","","","","1.058","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152708","8.5077","0.0004","9.6154","0.0005","9.324","0.0004","90","","116.932","0.007","90","","680.03","0.07","200","2","200","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C30 H24 N4 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0411","0.0346","","","0.0784","0.0832","","","","","","1.085","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152709","6.545","","10.072","","11.676","","107.83","","101.23","","92.8","","713.831","","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C15 H11 Cl N2 O3 -","- C15 H11 Cl N2 O3 -","- C30 H22 Cl2 N4 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0973","0.047","","","0.0972","0.1211","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152710","8.6482","0.0003","9.8196","0.0004","11.8305","0.0005","76.306","0.002","82.629","0.002","65.289","0.002","886.24","0.06","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C40 H42 N2 O4 S2 -","2","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0534","0.0418","","","0.1051","0.1154","","","","","","1.045","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152711","28.8723","0.0011","8.1821","0.0003","17.9935","0.0007","90","","124.445","0.001","90","","3505.4","0.2","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 F N O2 S -","- C20 H20 F N O2 S -","- C160 H160 F8 N8 O16 S8 -","8","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0618","0.0434","","","0.1219","0.1434","","","","","","1.113","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152712","8.154","0.0003","11.686","0.0005","22.9788","0.001","90","","94.734","0.003","90","","2182.13","0.16","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 S -","- C26 H25 N O2 S -","- C104 H100 N4 O8 S4 -","4","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0651","0.046","","","0.1144","0.1288","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152713","14.6259","0.0002","8.4133","0.0002","18.8218","0.0003","90","","94.804","0.001","90","","2307.93","0.07","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Br2 N O2 S -","- C26 H23 Br2 N O2 S -","- C104 H92 Br8 N4 O8 S4 -","4","1","","Huang, Chuhui; Kothandaraman, Prasath; Koh, Bing Qin; Chan, Philip Wai Hong","Study of substrate dependence on the chemoselectivity of the gold-catalysed cycloisomerisation of aryl substituted 1,7-enynes.","Organic & biomolecular chemistry","2012","10","45","9067","9078","10.1039/c2ob26458g","","","0.71073","MoKα","","0.0614","0.035","","","0.0832","0.101","","","","","","1.047","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152714","8.2735","0.0003","9.7455","0.0004","9.7543","0.0004","90","","90","","90","","786.48","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O -","- C6 H14 Cl N O -","- C24 H56 Cl4 N4 O4 -","4","1","","Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Sulfur, oxygen, and nitrogen mustards: stability and reactivity.","Organic & biomolecular chemistry","2012","10","44","8786","8793","","","","1.54178","CuKα","","0.0154","0.0154","","","0.0418","0.0418","","","","","","1.154","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152715","21.0466","0.0007","5.8427","0.0002","12.7574","0.0004","90","","104.37","0.001","90","","1519.68","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H28 Cl2 N2 O2 -","- C10 H28 Cl2 N2 O2 -","- C40 H112 Cl8 N8 O8 -","4","1","","Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Sulfur, oxygen, and nitrogen mustards: stability and reactivity.","Organic & biomolecular chemistry","2012","10","44","8786","8793","10.1039/c2ob26482j","","","1.54178","CuKα","","0.024","0.0239","","","0.0585","0.0586","","","","","","1.096","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152716","13.4626","0.0007","14.6803","0.0008","15.9634","0.0007","94.288","0.004","98.319","0.004","115.215","0.005","2791.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C67 H68 N2 -","- C67 H68 N2 -","- C134 H136 N4 -","2","1","","Li, Jichao; Hu, Binbin; Hu, Gongfang; Li, Xihui; Lu, Ping; Wang, Yanguang","An efficient synthesis of heptaaryldipyrromethenes from tetraarylcyclopentadienones and ammonium acetate and their extension to the corresponding BODIPYs.","Organic & biomolecular chemistry","2012","10","44","8848","8859","10.1039/c2ob26509e","","","0.71073","MoKα","","0.1353","0.0603","","","0.1286","0.1629","","","","","","0.953","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152717","8.5856","0.0003","13.3808","0.001","13.8389","0.0009","66.612","0.007","77.281","0.004","77.711","0.005","1409.37","0.17","298","1","298","1","","","","","","","","4","P -1","-P 1","2","","2-{(E)-5-[(E)-3-{4-(Diethylamino)phenyl}-1-{4-(dimethylamino)phenyl}allylidene]-4-phenylthiazol-2-ylidene}malononitrile","","- C33 H31 N5 S -","- C33 H31 N5 S -","- C66 H62 N10 S2 -","2","1","","Galán, Elena; Andreu, Raquel; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.","Cycloaddition reactions of polyenic donor-π-acceptor systems with an electron-rich alkyne: access to new chromophores with second-order optical nonlinearities.","Organic & biomolecular chemistry","2012","10","43","8684","8691","10.1039/c2ob26515j","","","0.71073","MoKα","","0.1598","0.0419","","","0.0365","0.0424","","","","","","0.805","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152718","9.8471","0.0005","28.4321","0.0015","11.7509","0.0008","90","","106.763","0.006","90","","3150.1","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3E,5Z)-7-(2,6-Di-tert-butyl-4H-pyran-4-ylidene)-6-(4-(dimethylamino)phenyl)2-phenylhepta-1,3,5-triene-1,1,3-tricarbonitrile","","- C37 H38 N4 O -","- C37 H38 N4 O -","- C148 H152 N16 O4 -","4","1","","Galán, Elena; Andreu, Raquel; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.","Cycloaddition reactions of polyenic donor-π-acceptor systems with an electron-rich alkyne: access to new chromophores with second-order optical nonlinearities.","Organic & biomolecular chemistry","2012","10","43","8684","8691","10.1039/c2ob26515j","","","0.71073","MoKα","","0.169","0.0685","","","0.0916","0.1209","","","","","","0.984","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152719","5.9702","0.0005","12.9502","0.0014","20.426","0.002","104.108","0.009","92.797","0.008","95.045","0.008","1521.6","0.3","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","4-Dimethylamino-[1,1': 3',1''-terphenyl]-2',4'-dicarbonitrile-5'-[2, 6-di-tert-butyl-4H-pyran-4-ylidene]","","- C36 H37 N3 O -","- C36 H37 N3 O -","- C72 H74 N6 O2 -","2","1","","Galán, Elena; Andreu, Raquel; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.","Cycloaddition reactions of polyenic donor-π-acceptor systems with an electron-rich alkyne: access to new chromophores with second-order optical nonlinearities.","Organic & biomolecular chemistry","2012","10","43","8684","8691","10.1039/c2ob26515j","","","0.71073","MoKα","","0.2233","0.0804","","","0.0971","0.1405","","","","","","0.968","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152720","8.3769","0.0009","12.9848","0.0013","13.7325","0.0014","90","","90.834","0.001","90","","1493.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O S -","- C14 H17 N3 O S -","- C56 H68 N12 O4 S4 -","4","1","","Zhao, Yingwei; Lei, Min; Yang, Lei; Han, Feng; Li, Zhen; Xia, Chungu","Oxygen-sulfur rearrangement in the reaction of thiocarbamate imidazolium ylide with arylaldehyde.","Organic & biomolecular chemistry","2012","10","45","8956","8959","10.1039/c2ob26520f","","","0.71073","MoKα","","0.0416","0.0369","","","0.1288","0.136","","","","","","1.052","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152721","9.7754","0.0007","17.6008","0.0015","9.5625","0.0007","90","","113.841","0.004","90","","1504.9","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","RAUL004","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Pérez-Ruiz, Raúl; Sáez, Jose A; Domingo, Luis R.; Jiménez, M Consuelo; Miranda, Miguel A.","Ring splitting of azetidin-2-ones via radical anions.","Organic & biomolecular chemistry","2012","10","39","7928","7932","10.1039/c2ob26528a","","x-ray","0.71073","MoKα","","0.0863","0.0476","","","0.0997","0.1153","","","","","","1.025","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152723","9.271","0.007","9.707","0.007","20.928","0.014","90.57","0.011","97.203","0.005","114.198","0.013","1700","2","93.15","","93","2","","","","","","","","3","P -1","-P 1","2","1,4-bis(4'-acetyl-(1,1'-biphenyl)-4-yl)buta-1,3-diyne","1,4-bis(4'-acetyl-[1,1'-biphenyl]-4-yl)buta-1,3-diyne","","- C32 H22 O2 -","- C32 H22 O2 -","- C96 H66 O6 -","3","1.5","","Mitsudo, Koichi; Kamimoto, Natsuyo; Murakami, Hiroki; Mandai, Hiroki; Wakamiya, Atsushi; Murata, Yasujiro; Suga, Seiji","Site-selective sequential coupling reactions controlled by ""Electrochemical Reaction Site Switching"": a straightforward approach to 1,4-bis(diaryl)buta-1,3-diynes.","Organic & biomolecular chemistry","2012","10","48","9562","9569","10.1039/c2ob26567b","","","0.71075","MoKα","","0.1239","0.0581","","","0.1153","0.1405","","","","","","0.912","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152724","24.8142","0.001","8.6804","0.0003","18.1721","0.0007","90","","99.492","0.001","90","","3860.6","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C192 H160 N16 O24 -","8","1","","Li, Ming; Zan, Li; Prajapati, Dipak; Hu, Wenhao","Rhodium(ii) catalyzed diastereoselective reactions of diazoacetamides with isatins: an efficient approach to 3-hydroxy-3,3'-bioxindoles.","Organic & biomolecular chemistry","2012","10","44","8808","8813","10.1039/c2ob26580j","","","0.71073","MoKα","","0.0708","0.0421","","","0.0986","0.1172","","","","","","1.016","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152725","18.235","0.003","8.195","0.0009","18.783","0.003","90","","111.007","0.018","90","","2620.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C104 H112 Br8 N8 O16 -","8","1","","Zhang, Juan; Wei, Ying; Lin, Shaoxia; Liang, Fushun; Liu, Pengjun","Copper-catalyzed aerobic oxidative synthesis of α-ketoamides from methyl ketones, amines and NIS at room temperature.","Organic & biomolecular chemistry","2012","10","46","9237","9242","10.1039/c2ob26586a","","","0.71069","MoKα","","0.1304","0.0665","","","0.1288","0.1577","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152726","16.201","0.008","14.693","0.007","31.511","0.015","90","","100.528","0.007","90","","7375","6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H117 N12 O14 P -","- C70 H117 N12 O14 P -","- C280 H468 N48 O56 P4 -","4","2","","Wei, Meiying; Wu, Biao; Zhao, Lei; Zhang, Hui; Li, Shaoguang; Zhao, Yanxia; Yang, Xiao-Juan","A bis-bisurea receptor with the R,R-cyclohexane-1,2-diamino spacer for phosphate and sulfate ions.","Organic & biomolecular chemistry","2012","10","44","8758","8761","10.1039/c2ob26591e","","","0.71073","MoKα","","0.1207","0.0711","","","0.1651","0.1972","","","","","","1.039","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152727","12.821","0.003","16.131","0.004","19.3","0.004","77.453","0.002","77.365","0.003","87.544","0.003","3801.8","1.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C67 H109 N12 O12.5 S1.5 -","- C67 H108.5 N12 O12.5 S1.5 -","- C134 H217 N24 O25 S3 -","2","2","","Wei, Meiying; Wu, Biao; Zhao, Lei; Zhang, Hui; Li, Shaoguang; Zhao, Yanxia; Yang, Xiao-Juan","A bis-bisurea receptor with the R,R-cyclohexane-1,2-diamino spacer for phosphate and sulfate ions.","Organic & biomolecular chemistry","2012","10","44","8758","8761","10.1039/c2ob26591e","","","0.71073","MoKα","","0.1023","0.0786","","","0.2172","0.2394","","","","","","1.054","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152728","7.1862","0.0007","11.0958","0.0013","11.8947","0.0011","90","","104.528","0.01","90","","918.12","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","6A","","","- C18 H26 O9 -","- C18 H26 O9 -","- C36 H52 O18 -","2","1","","Pandey, Ganesh; Adate, Priyanka A.; Puranik, Vedavati G.","Organocatalytic dynamic kinetic resolution via conjugate addition: synthesis of chiral trans-2,5-dialkylcyclohexanones.","Organic & biomolecular chemistry","2012","10","41","8260","8267","10.1039/c2ob26597d","","","1.54184","CuKα","","0.0412","0.0409","","","0.1125","0.1131","","","","","","1.059","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152729","14.26","0.0002","26.14","0.0004","16.822","0.0002","90","","101.476","0.001","90","","6145.15","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 Cl8 N12 Zn4 -","- C60 H52 Cl8 N12 Zn4 -","- C240 H208 Cl32 N48 Zn16 -","4","1","","Ciupa, Alexander; Mahon, Mary F.; De Bank, Paul A.; Caggiano, Lorenzo","Simple pyrazoline and pyrazole ""turn on"" fluorescent sensors selective for Cd(2+) and Zn(2+) in MeCN.","Organic & biomolecular chemistry","2012","10","44","8753","8757","10.1039/c2ob26608c","","","0.71073","MoKα","","0.0782","0.0452","","","0.1015","0.1156","","","","","","1.031","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152730","14.26","0.0002","26.14","0.0004","16.822","0.0002","90","","101.476","0.001","90","","6145.15","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 Cl8 N12 Zn4 -","- C60 H52 Cl8 N12 Zn4 -","- C240 H208 Cl32 N48 Zn16 -","4","1","","Guerra, Arcadio; Brea, Roberto J.; Amorín, Manuel; Castedo, Luis; Granja, Juan R.","Self-assembling properties of all γ-cyclic peptides containing sugar amino acid residues.","Organic & biomolecular chemistry","2012","10","44","8762","8766","10.1039/c2ob26612a","","","0.71073","MoKα","","0.0782","0.0452","","","0.1015","0.1156","","","","","","1.031","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152731","9.7301","0.0009","19.154","0.0019","18.7347","0.0018","90","","90.915","0.002","90","","3491.1","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","4","","Balan, Dan; Burns, Christopher J.; Fisk, Nicholas G.; Hügel, Helmut; Huang, David C. S.; Segal, David; White, Charlotte; Wagler, Jörg; Rizzacasa, Mark A.","Synthesis and biological evaluation of a potent salicylihalamide A lactam analogue.","Organic & biomolecular chemistry","2012","10","40","8147","8153","10.1039/c2ob26649k","","","0.71073","MoKα","","0.0574","0.0436","","","0.1072","0.1145","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152732","17.1331","0.0003","5.0892","0.0001","17.6727","0.0003","90","","118.234","0.001","90","","1357.61","0.04","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N O5 -","- C29 H37 N O5 -","- C58 H74 N2 O10 -","2","1","","Balan, Dan; Burns, Christopher J.; Fisk, Nicholas G.; Hügel, Helmut; Huang, David C. S.; Segal, David; White, Charlotte; Wagler, Jörg; Rizzacasa, Mark A.","Synthesis and biological evaluation of a potent salicylihalamide A lactam analogue.","Organic & biomolecular chemistry","2012","10","40","8147","8153","10.1039/c2ob26649k","","","1.54178","CuKα","","0.0452","0.0429","","","0.1184","0.1217","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152733","17.0527","0.0007","17.0527","0.0007","8.4671","0.0007","90","","90","","90","","2462.2","0.2","110","2","110","2","","","","","","","","4","P 43","P 4cw","78","","","","- C26 H31 N2 O6 -","- C26 H31 N2 O6 -","- C104 H124 N8 O24 -","4","1","","Talele, Harish R.; Bedekar, Ashutosh V.","Synthesis of chiral bis-oxazines: a preliminary assessment of helical conformational framework.","Organic & biomolecular chemistry","2012","10","43","8579","8582","10.1039/c2ob26669e","","","0.71073","MoKα","","0.0751","0.0669","","","0.1597","0.165","","","","","","1.081","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152734","8.3206","0.0004","8.3369","0.0004","25.7561","0.0014","93.355","0.001","95.323","0.001","93.682","0.001","1771.53","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C76 H96 Cl4 N4 O8 -","4","4","","Narcis, Maurice J.; Sprague, Daniel J.; Captain, Burjor; Takenaka, Norito","Enantio- and periselective nitroalkene Diels-Alder reaction.","Organic & biomolecular chemistry","2012","10","46","9134","9136","10.1039/c2ob26674a","","","0.71073","MoKα","","0.0552","0.0453","","","0.0873","0.0925","","","","","","1.036","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152735","8.3213","0.0004","8.3312","0.0004","25.7701","0.0013","93.369","0.001","95.301","0.001","93.703","0.001","1771.42","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C19 H24 Cl N O2 -","- C19 H24 Cl N O2 -","- C76 H96 Cl4 N4 O8 -","4","4","","Narcis, Maurice J.; Sprague, Daniel J.; Captain, Burjor; Takenaka, Norito","Enantio- and periselective nitroalkene Diels-Alder reaction.","Organic & biomolecular chemistry","2012","10","46","9134","9136","10.1039/c2ob26674a","","","0.71073","MoKα","","0.0611","0.0446","","","0.0827","0.0901","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152736","10.8478","0.0012","11.5786","0.0013","17.841","0.002","80.352","0.002","80.707","0.002","76.854","0.002","2133.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C84 H92 N4 O20 S4 -","4","2","","Cao, Jian; Kong, Yulong; Deng, Yuan; Lai, Guoqiao; Cui, Yuming; Hu, Ziqiang; Wang, Guanhai","Synthesis of allenamides by Pd-catalyzed coupling of 3-alkoxycarbonyloxy ynamides or 1-alkoxycarbonyloxy allenamides with arylboronic acids.","Organic & biomolecular chemistry","2012","10","48","9556","9561","10.1039/c2ob26727f","","","0.71073","MoKα","","0.1179","0.051","","","0.1459","0.1939","","","","","","1.003","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152737","10.1299","0.0006","15.3763","0.0009","15.953","0.0009","61.791","0.001","76.535","0.001","86.754","0.001","2125.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N O3.5 S -","- C24 H23 N O3.5 S -","- C96 H92 N4 O14 S4 -","4","2","","Cao, Jian; Kong, Yulong; Deng, Yuan; Lai, Guoqiao; Cui, Yuming; Hu, Ziqiang; Wang, Guanhai","Synthesis of allenamides by Pd-catalyzed coupling of 3-alkoxycarbonyloxy ynamides or 1-alkoxycarbonyloxy allenamides with arylboronic acids.","Organic & biomolecular chemistry","2012","10","48","9556","9561","10.1039/c2ob26727f","","","0.71073","MoKα","","0.062","0.0481","","","0.1476","0.1682","","","","","","1.046","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152738","16.077","0.002","17.39","0.003","21.894","0.003","90","","109.049","0.002","90","","5785.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Br2 N18 O20.25 -","- C38 H38 Br2.01 N18 O20.25 -","- C152 H152 Br8.04 N72 O81 -","4","1","","Maddipatla, Murthy V. S. N.; Pattabiraman, Mahesh; Natarajan, Arunkumar; Srivastav, Karan; Mague, Joel T.; Ramamurthy, V.","Regioselective photodimerization of pyridyl-butadienes within cucurbit[8]uril cavities.","Organic & biomolecular chemistry","2012","10","46","9219","9222","10.1039/c2ob26743h","","","0.71073","MoKα","","0.1448","0.1181","","","0.3057","0.3167","","","","","","2.421","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152739","8.6509","0.0007","9.6346","0.0004","10.4549","0.0004","112.631","0.002","100.874","0.003","95.813","0.003","775.19","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","","Wang, Chiou-Dong; Liu, Rai-Shung","Silver-catalyzed [3+2]-cycloaddition of benzynes with diazocarbonyl species via a postulated (1H-indazol-1-yl)silver intermediate.","Organic & biomolecular chemistry","2012","10","45","8948","8952","10.1039/c2ob26760h","","","0.71073","MoKα","","0.0895","0.0458","","","0.1283","0.1852","","","","","","1.11","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152740","11.3188","0.0014","7.8255","0.001","11.8409","0.0015","90","","107.775","0.0018","90","","998.7","0.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Standen, Patricia E.; Dodia, Dharati; Elsegood, Mark R. J.; Teat, Simon J.; Kimber, Marc C.","The stereochemical outcome of allyl magnesium and indium additions to 5-substituted norbornen-7-ones and its application to cis fused carbocycle formation via ring rearrangement metathesis.","Organic & biomolecular chemistry","2012","10","43","8669","8676","10.1039/c2ob26784e","","","0.7749","synchrotron","","0.0441","0.0391","","","0.1093","0.1141","","","","","","1.045","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152741","6.4701","0.0006","10.1349","0.001","14.1595","0.0013","93.806","0.006","91.027","0.006","105.958","0.006","890.11","0.15","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.0543","0.0443","","","0.1163","0.124","","","","","","0.943","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152742","7.3493","0.0012","9.3408","0.0015","25.042","0.004","73.729","0.006","88.572","0.006","86.474","0.006","1647.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H26 O4 Si -","- C15 H26 O4 Si -","- C60 H104 O16 Si4 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.1199","0.0727","","","0.1868","0.2182","","","","","","1.074","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152743","7.5774","0.0018","7.5917","0.0014","16.577","0.004","77.041","0.013","88.566","0.019","85.931","0.013","926.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 Cl O3 -","- C9 H11 Cl O3 -","- C36 H44 Cl4 O12 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.193","0.1434","","","0.356","0.3872","","","","","","1.094","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152744","11.1742","0.0003","12.7465","0.0003","12.9261","0.0003","77.034","0.001","65.985","0.001","82.498","0.001","1637.25","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O8 S -","- C15 H15 N O8 S -","- C60 H60 N4 O32 S4 -","4","2","","Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.","A furan Diels-Alder cycloaddition approach to scyphostatin analogues.","Organic & biomolecular chemistry","2012","10","45","9058","9066","10.1039/c2ob26793d","","","0.71073","MoKα","","0.0819","0.0479","","","0.121","0.1436","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152745","6.3446","0.0001","16.7461","0.0002","19.6159","0.0002","90","","90","","90","","2084.14","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F3 N2 O5 -","- C20 H25 F3 N2 O5 -","- C80 H100 F12 N8 O20 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","1.54184","CuKα","","0.0303","0.0295","","","0.0751","0.0758","","","","","","1.059","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152746","6.3032","0.0014","17.505","0.004","19.677","0.004","90","","90","","90","","2171.1","0.8","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 F3 N2 O5 -","- C21 H27 F3 N2 O5 -","- C84 H108 F12 N8 O20 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","0.71073","MoKα","","0.0384","0.0346","","","0.0859","0.0886","","","","","","1.063","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152747","5.409","0.002","11.831","0.005","22.811","0.01","90","","90","","90","","1459.8","1","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N O3 -","- C15 H16 F3 N O3 -","- C60 H64 F12 N4 O12 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","0.71073","MoKα","","0.0723","0.0472","","","0.1143","0.1266","","","","","","1.121","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152748","10.609","0.0003","15.8952","0.0004","16.3523","0.0004","93.865","0.001","100.226","0.001","90.915","0.001","2706.45","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl2 N O6 -","- C26 H33 Cl1.98 N O6 -","- C104 H132 Cl7.92 N4 O24 -","4","2","","Hempel, Christian; Weckenmann, Nicole M.; Maichle-Moessmer, C; Nachtsheim, Boris J.","A hypervalent iodine-mediated spirocyclization of 2-(4-hydroxybenzamido)acrylates - unexpected formation of δ-spirolactones.","Organic & biomolecular chemistry","2012","10","47","9325","9329","10.1039/c2ob26815a","","","1.54178","CuKα","","0.0562","0.0511","","","0.1364","0.1407","","","","","","1.052","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152749","20.8667","0.0004","5.2047","0.0001","26.1797","0.0005","90","","90","","90","","2843.24","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C136 H104 N8 O32 -","8","2","","Hempel, Christian; Weckenmann, Nicole M.; Maichle-Moessmer, C; Nachtsheim, Boris J.","A hypervalent iodine-mediated spirocyclization of 2-(4-hydroxybenzamido)acrylates - unexpected formation of δ-spirolactones.","Organic & biomolecular chemistry","2012","10","47","9325","9329","10.1039/c2ob26815a","","","1.54178","CuKα","","0.0333","0.0317","","","0.0811","0.0823","","","","","","1.055","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152750","10.221","0.007","13.132","0.008","12.143","0.008","90","","106.09","0.018","90","","1566","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl N O -","- C16 H22 Cl N O -","- C64 H88 Cl4 N4 O4 -","4","1","","Reen, F. Jerry; Clarke, Sarah L.; Legendre, Claire; McSweeney, Christina M.; Eccles, Kevin S.; Lawrence, Simon E.; O'Gara, Fergal; McGlacken, Gerard P.","Structure-function analysis of the C-3 position in analogues of microbial behavioural modulators HHQ and PQS.","Organic & biomolecular chemistry","2012","10","44","8903","8910","10.1039/c2ob26823j","","","0.71073","MoKα","","0.1238","0.0559","","","0.1402","0.169","","","","","","1.087","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152751","8.013","0.012","9.542","0.014","14.04","0.02","93.728","0.018","104.831","0.019","97.695","0.019","1023","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C46 H40 N4 O10 -","2","1","","Yao, Liangqing; Yu, Xingxin; Mo, Chen; Wu, Jie","Synthesis of pyrazolo[5,1-a]isoquinolines via silver(i)-rhodium(i) cooperative catalysis in the reaction of N'-(2-alkynylbenzylidene)hydrazide with cycloprop-2-ene-1,1-dicarboxylate.","Organic & biomolecular chemistry","2012","10","47","9447","9451","10.1039/c2ob26824h","","","0.71073","MoKα","","0.0742","0.0644","","","0.1692","0.1798","","","","","","1.025","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152752","14.1251","0.0019","11.6285","0.0015","16.905","0.002","90","","101.455","0.002","90","","2721.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 N2 O4 -","- C31 H30 N2 O4 -","- C124 H120 N8 O16 -","4","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.0835","0.0595","","","0.1709","0.1948","","","","","","1.047","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152753","9.7306","0.0018","12.134","0.002","15.316","0.003","79.865","0.003","75.145","0.003","70.894","0.002","1643.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cl2 N2 O3 -","- C34 H24 Cl2 N2 O3 -","- C68 H48 Cl4 N4 O6 -","2","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.0921","0.0608","","","0.1721","0.1955","","","","","","0.977","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152754","10.5214","0.0014","9.2191","0.0012","32.976","0.004","90","","107.588","0.004","90","","3049.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 F N2 O3 -","- C34 H25 F N2 O3 -","- C136 H100 F4 N8 O12 -","4","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.1111","0.0607","","","0.1838","0.2059","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152756","8.7989","0.0014","11.8637","0.0019","15.562","0.003","88.053","0.002","74.732","0.002","69.982","0.002","1469.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H26 Cl N3 O3 -","- C37 H26 Cl N3 O3 -","- C74 H52 Cl2 N6 O6 -","2","1","","Wu, Lei; Sun, Jing; Yan, Chao-Guo","Facile synthesis of spiro[indoline-3,3'-pyrrolo[1,2-a]quinolines] and spiro[indoline-3,1'-pyrrolo[2,1-a]isoquinolines] via 1,3-dipolar cycloaddition reactions of heteroaromatic ammonium salts with 3-phenacylideneoxindoles.","Organic & biomolecular chemistry","2012","10","47","9452","9463","10.1039/c2ob26849c","","","0.71073","MoKα","","0.0744","0.052","","","0.1385","0.1583","","","","","","1.06","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152757","8.1013","0.0008","14.0953","0.0015","17.3131","0.0018","76.106","0.002","85.883","0.002","89.274","0.002","1914.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br N S2 -","- C20 H22 Br N S2 -","- C80 H88 Br4 N4 S8 -","4","2","","Alajarín, Mateo; Bonillo, Baltasar; Orenes, Raúl-Angel; Ortín, María-Mar; Vidal, Angel","1,5-(H, RO, RS) shift/6π-electrocyclic ring closure tandem processes on N-[(α-heterosubstituted)-2-tolyl]ketenimines: a case study of relative migratory aptitudes and activating effects.","Organic & biomolecular chemistry","2012","10","48","9523","9537","10.1039/c2ob27010b","","","0.71073","MoKα","","0.0643","0.0518","","","0.0959","0.1004","","","","","","1.12","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152758","16.6672","0.0007","33.1447","0.0012","8.1871","0.0003","90","","90","","90","","4522.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C43 H48 Cl2 N2 O16 -","- C43 H48 Cl2 N2 O16 -","- C172 H192 Cl8 N8 O64 -","4","1","","Kleeblatt, Dennis; Siyo, Baraa; Hein, Martin; Iaroshenko, Viktor O.; Iqbal, Jamshed; Villinger, Alexander; Langer, Peter","Synthesis of N,N'-diglycosylated isoindigos.","Organic & biomolecular chemistry","2013","11","6","886","895","10.1039/c2ob25866h","","","0.71073","MoKα","","0.0821","0.0516","","","0.1196","0.1307","","","","","","1.067","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152759","10.399","0.003","11.235","0.003","13.089","0.003","107.753","0.019","101.4","0.02","110.87","0.02","1277.7","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H22 O7 S -","- C31 H22 O7 S -","- C62 H44 O14 S2 -","2","1","","Ahadi, Somayeh; Zolghadr, Mahdi; Khavasi, Hamid Reza; Bazgir, Ayoob","A diastereoselective synthesis of pyrano fused coumarins via organocatalytic three-component reaction.","Organic & biomolecular chemistry","2013","11","2","279","286","10.1039/c2ob26203g","","","0.71073","MoKα","","0.2709","0.1168","","","0.2262","0.2969","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152760","21.7506","0.0012","10.3408","0.0006","14.2419","0.0008","90","","124.719","0.001","90","","2632.9","0.3","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","4-cyclopropyl-3-phenyl-1H-isochromen-1-one","4-cyclopropyl-3-phenyl-1H-isochromen-1-one","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","x-ray","0.71073","MoKα","K-L~3~","0.0487","0.0389","","","0.1094","0.117","","","","","","1.036","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152761","13.3582","0.0007","14.6219","0.0008","7.6852","0.0004","90","","90.502","0.002","90","","1501.03","0.14","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-cyclopropyl-3-(3-trifluoromethylphenyl-1H-isochromen-1-one","4-cyclopropyl-3-(3-trifluoromethylphenyl-1H-isochromen-1-one","","- C19 H13 F3 O2 -","- C19 H13 F3 O2 -","- C76 H52 F12 O8 -","4","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","x-ray","0.71073","MoKα","K-L~3~","0.0881","0.0754","","","0.1969","0.2099","","","","","","1.086","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152762","8.5382","0.0007","9.1292","0.0008","35.608","0.003","87.43","0.002","86.668","0.002","75.652","0.002","2683.1","0.4","120","","120","","","","","","","","","3","P -1","-P 1","2","3-cyclopropyl-4-phenyl-1H-isochromen-1-one","3-cyclopropyl-4-phenyl-1H-isochromen-1-one","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","4","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","x-ray","0.71073","MoKα","K-L~3~","0.1498","0.0591","","","0.0987","0.1136","","","","","","0.931","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152763","8.6979","0.0003","16.6842","0.0005","10.4505","0.0003","90","","113.293","0.001","90","","1392.94","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-cyclopropyl-2-methyl-3-phenylisoquinolin-1(2H)-one","4-cyclopropyl-2-methyl-3-phenylisoquinolin-1(2H)-one","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","","0.71073","MoKα","","0.0558","0.046","","","0.1237","0.1353","","","","","","1.063","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152764","7.9056","0.0004","8.8734","0.0005","9.7298","0.0005","96.304","0.002","100.043","0.002","108.11","0.002","628.9","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","4-cyclopropyl-2-methyl-3-(n-propyl)-isoquinolin-1(2H)-one","4-cyclopropyl-2-methyl-3-(n-propyl)-isoquinolin-1(2H)-one","","- C16 H19 N O -","- C16 H19 N O -","- C32 H38 N2 O2 -","2","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","","0.71073","MoKα","","0.0885","0.0582","","","0.1463","0.1688","","","","","","0.98","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152765","12.849","0.0005","13.1603","0.0005","17.5483","0.0006","73.847","0.001","68.57","0.001","65.921","0.001","2492.57","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H76 Cl2 O7 P2 Pd -","- C46 H76 Cl2 O7 P2 Pd -","- C92 H152 Cl4 O14 P4 Pd2 -","2","1","","Li, Pengbin; Lü, Bo; Fu, Chunling; Ma, Shengming","Pd-catalyzed Suzuki coupling reaction of chloroalkylidene-β-lactones with LB-Phos as the ligand.","Organic & biomolecular chemistry","2013","11","1","98","109","10.1039/c2ob26365c","","","0.71073","MoKα","","0.0323","0.029","","","0.0839","0.0881","","","","","","1.058","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152766","9.3629","0.0006","16.608","0.0008","9.8929","0.0005","90","","115.25","0.007","90","","1391.36","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","2","","Li, Pengbin; Lü, Bo; Fu, Chunling; Ma, Shengming","Pd-catalyzed Suzuki coupling reaction of chloroalkylidene-β-lactones with LB-Phos as the ligand.","Organic & biomolecular chemistry","2013","11","1","98","109","10.1039/c2ob26365c","","","1.54184","CuKα","","0.088","0.0685","","","0.1807","0.2043","","","","","","1.045","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152767","4.9166","0.0006","13.1195","0.0013","42.105","0.004","90","","90","","90","","2715.9","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N6 O6 -","- C26 H36 N6 O6 -","- C104 H144 N24 O24 -","4","1","","Pehere, Ashok D.; Sumby, Christopher J.; Abell, Andrew D.","New cylindrical peptide assemblies defined by extended parallel β-sheets.","Organic & biomolecular chemistry","2013","11","3","425","429","10.1039/c2ob26637g","","","0.71073","MoKα","","0.1602","0.1039","","","0.2379","0.2792","","","","","","1.034","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152768","10.4429","0.0003","7.4627","0.0002","14.1231","0.0004","90","","93.253","0.002","90","","1098.87","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 -","- C26 H30 N2 -","- C52 H60 N4 -","2","1","","Ribelles, Pascual; Sridharan, Vellaisamy; Villacampa, Mercedes; Ramos, Ma Teresa; Menéndez, J Carlos","Diastereoselective, multicomponent access to trans-2-aryl-4-arylamino-1,2,3,4-tetrahydroquinolines via an AA'BC sequential four-component reaction and their application to 2-arylquinoline synthesis.","Organic & biomolecular chemistry","2013","11","4","569","579","10.1039/c2ob26754c","","","1.54178","CuKα","","0.0338","0.0321","","","0.0837","0.0855","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152769","15.4056","0.0004","6.8529","0.0002","15.8005","0.0004","90","","116.019","0.001","90","","1499.04","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 F N2 O5 -","- C9 H11 F N2 O5 -","- C54 H66 F6 N12 O30 -","6","3","","Erande, Namrata; Gunjal, Anita D.; Fernandes, Moneesha; Gonnade, Rajesh; Kumar, Vaijayanti A.","Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2'-5' linked oligonucleotides.","Organic & biomolecular chemistry","2013","11","5","746","757","10.1039/c2ob26762d","","","0.71073","MoKα","","0.0376","0.0342","","","0.0861","0.0882","","","","","","1.067","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152770","6.3007","0.0003","7.3372","0.0003","10.8989","0.0004","90","","92.277","0.002","90","","503.45","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 F N2 O5 -","- C9 H11 F N2 O5 -","- C18 H22 F2 N4 O10 -","2","1","","Erande, Namrata; Gunjal, Anita D.; Fernandes, Moneesha; Gonnade, Rajesh; Kumar, Vaijayanti A.","Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2'-5' linked oligonucleotides.","Organic & biomolecular chemistry","2013","11","5","746","757","10.1039/c2ob26762d","","","0.71073","MoKα","","0.0242","0.0239","","","0.0643","0.0645","","","","","","1.054","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152771","10.264","0.0002","10.754","0.0002","13.366","0.0003","67.311","0.001","70.995","0.001","82.495","0.001","1286.94","0.05","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H24 O2 -","- C14 H24 O2 -","- C56 H96 O8 -","4","2","","Lyall, Catherine L.; Uosis-Martin, Mario; Lowe, John P.; Mahon, Mary F.; Pantoş, G Dan; Lewis, Simon E.","Aliphatic C-H activation with aluminium trichloride-acetyl chloride: expanding the scope of the Baddeley reaction for the functionalisation of saturated hydrocarbons.","Organic & biomolecular chemistry","2013","11","9","1468","1475","10.1039/c2ob26765a","","","0.71073","MoKα","","0.0786","0.0488","","","0.1042","0.1193","","","","","","1.027","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152772","10.508","0.0006","11.686","0.0006","16.647","0.001","81.989","0.002","90.159","0.003","78.388","0.003","1981.81","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C80 H104 N16 O16 -","4","2","","Lyall, Catherine L.; Uosis-Martin, Mario; Lowe, John P.; Mahon, Mary F.; Pantoş, G Dan; Lewis, Simon E.","Aliphatic C-H activation with aluminium trichloride-acetyl chloride: expanding the scope of the Baddeley reaction for the functionalisation of saturated hydrocarbons.","Organic & biomolecular chemistry","2013","11","9","1468","1475","10.1039/c2ob26765a","","","0.71073","MoKα","","0.2588","0.1792","","","0.3768","0.4211","","","","","","1.118","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152773","13.196","0.005","13.001","0.004","13.423","0.005","90","","119.437","0.004","90","","2005.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cl O4 -","- C26 H19 Cl O4 -","- C104 H76 Cl4 O16 -","4","1","","Jian, Teng-Yue; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","N-heterocyclic carbene-catalyzed [4 + 2] cycloaddition of ketenes and 3-aroylcoumarins: highly enantioselective synthesis of dihydrocoumarin-fused dihydropyranones.","Organic & biomolecular chemistry","2013","11","1","158","163","10.1039/c2ob26804c","","","0.71073","MoKα","","0.1441","0.0935","","","0.1489","0.1657","","","","","","1.171","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152774","7.757","0.005","6.483","0.004","9.907","0.007","90","","92.808","0.012","90","","497.6","0.6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","gamma Phe","gamma_Phe","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C22 H30 N2 O4 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.1153","0.0704","","","0.1626","0.189","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152775","12.866","0.015","17.403","0.019","13.962","0.016","90","","107.22","0.03","90","","2986","6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","alpha-gamma peptide","alpha-gamma peptide","","- C51 H72 N8 O8 -","- C51 H72 N8 O8 -","- C102 H144 N16 O16 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.2345","0.0813","","","0.1855","0.2369","","","","","","0.733","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152776","9.354","0.01","12.179","0.013","13.95","0.015","68.89","0.03","85.74","0.03","71.36","0.03","1403","3","100","2","100","2","","","101.325","","","","synthesis","4","P 1","P 1","1","alpha-gamma peptide","alpha-gamma peptide","","- C48 H66 N8 O9 -","- C48 H66 N8 O9 -","- C48 H66 N8 O9 -","1","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.1364","0.0823","","","0.2342","0.2723","","","","","","0.771","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152777","11.218","0.017","14.58","0.02","15.75","0.02","90","","100.06","0.03","90","","2536","6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","alpha-gamma peptide","alpha-gamma peptide","","- C47 H64 N8 O10 -","- C47 H64 N8 O10 -","- C94 H128 N16 O20 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.2023","0.0824","","","0.1713","0.2352","","","","","","0.909","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152778","15.6275","0.0012","14.9143","0.0011","20.234","0.0015","90","","90","","90","","4716","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8.5 H11.5 Cl1.5 N5 O -","- C8.5 H11.5 Cl1.5 N5 O -","- C136 H184 Cl24 N80 O16 -","16","2","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.038","0.0353","","","0.0941","0.0967","","","","","","1.03","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152779","8.9487","0.0006","16.7979","0.0011","13.042","0.0008","90","","97.593","0.001","90","","1943.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N5 O1.5 -","- C8 H11 N5 O1.5 -","- C64 H88 N40 O12 -","8","2","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.0446","0.0423","","","0.1119","0.1138","","","","","","1.061","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152780","8.9942","0.0005","17.9689","0.0011","12.8636","0.0008","90","","99.884","0.001","90","","2048.1","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Ca0.5 Cl N10 O2 -","- C16 H22 Ca0.5 Cl N10 O2 -","- C64 H88 Ca2 Cl4 N40 O8 -","4","1","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.035","0.0304","","","0.0753","0.078","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152781","35.482","0.004","10.0503","0.0011","35.888","0.004","90","","108.396","0.001","90","","12144","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H69 B N20 Na O5 -","- C60 H69 B N20 Na O5 -","- C480 H552 B8 N160 Na8 O40 -","8","1","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.1615","0.1217","","","0.3335","0.3742","","","","","","1.069","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152782","6.6023","0.0012","6.6337","0.0012","37.831","0.006","94.504","0.015","90.801","0.014","113.293","0.017","1515.3","0.5","293","2","293.15","","","","","","","","","3","P 1","P 1","1","","","","- C32 H52 O8 -","- C32 H52 O8 -","- C64 H104 O16 -","2","2","","Guo, Xiurong; Xin, Guang; He, Shiliang; Wang, Yanyan; Huang, Baozhan; Zhao, Hang; Xing, Zhihua; Chen, Qingming; Huang, Wen; He, Yang","Novel organic gelators based on pentose derivatized diosgenyl saponins.","Organic & biomolecular chemistry","2013","11","5","821","827","10.1039/c2ob26898a","","","0.7107","MoKα","","0.0686","0.046","","","0.093","0.1051","","","","","","1.066","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152783","9.2201","0.0004","5.4993","0.0003","14.8584","0.0009","90","","93.833","0.003","90","","751.7","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H10 Br N O4 -","- C17 H10 Br N O4 -","- C34 H20 Br2 N2 O8 -","2","1","","Das, Utpal; Tsai, Yi-Ling; Lin, Wenwei","An efficient organocatalytic enantioselective synthesis of spironitrocyclopropanes.","Organic & biomolecular chemistry","2013","11","1","44","47","10.1039/c2ob26943k","","","0.71073","MoKα","","0.0451","0.0299","","","0.0564","0.0825","","","","","","0.964","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152784","8.8074","0.0011","9.7518","0.0015","9.7363","0.0014","90","","93.785","0.005","90","","834.4","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Br N O4 -","- C18 H12 Br N O4 -","- C36 H24 Br2 N2 O8 -","2","1","","Das, Utpal; Tsai, Yi-Ling; Lin, Wenwei","An efficient organocatalytic enantioselective synthesis of spironitrocyclopropanes.","Organic & biomolecular chemistry","2013","11","1","44","47","10.1039/c2ob26943k","","","0.71073","MoKα","","0.0523","0.035","","","0.067","0.0731","","","","","","1.003","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152785","9.5643","0.0002","9.7254","0.0002","17.4889","0.0004","89.925","0.001","80.209","0.001","62.908","0.001","1421.79","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C37 H27 Br N2 -","- C37 H27 Br N2 -","- C74 H54 Br2 N4 -","2","1","","Elie, Claude-Rosny; Hébert, Audrey; Charbonneau, Mathieu; Haiun, Adam; Schmitzer, Andreea R.","Benzimidazolium-based synthetic chloride and calcium transporters in bacterial membranes.","Organic & biomolecular chemistry","2013","11","6","923","928","10.1039/c2ob26966j","","","1.54178","CuKα","","0.0568","0.0525","","","0.1437","0.1526","","","","","","1.058","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152786","17.266","0.014","8.92","0.007","16.576","0.013","90","","97.576","0.01","90","","2531","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl2 I N3 O3 P -","- C22 H25 Cl2 I N3 O3 P -","- C88 H100 Cl8 I4 N12 O12 P4 -","4","1","","Qiu, Guanyinsheng; Lu, Yuan; Wu, Jie","A concise synthesis of 4-imino-3,4-dihydroquinazolin-2-ylphosphonates via a palladium-catalyzed reaction of carbodiimide, isocyanide, and phosphite.","Organic & biomolecular chemistry","2013","11","5","798","802","10.1039/c2ob26979a","","","0.71073","MoKα","","0.0736","0.0529","","","0.1384","0.1493","","","","","","0.951","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152787","23.116","0.004","12.7605","0.0019","21.907","0.003","90","","114.554","0.002","90","","5877.6","1.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 Br O3 P -","- C29 H36 Br O3 P -","- C232 H288 Br8 O24 P8 -","8","1","","Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei","A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.","Organic & biomolecular chemistry","2013","11","5","828","834","10.1039/c2ob26986d","","","0.71073","MoKα","","0.1238","0.0587","","","0.1414","0.1547","","","","","","0.886","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152788","7.8383","0.0003","10.9083","0.0004","12.0674","0.0006","112.907","0.002","101.682","0.002","94.195","0.003","917.43","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 Br O3 -","- C24 H13 Br O3 -","- C48 H26 Br2 O6 -","2","1","","Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei","A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.","Organic & biomolecular chemistry","2013","11","5","828","834","10.1039/c2ob26986d","","","0.71073","MoKα","","0.0917","0.0589","","","0.1655","0.1981","","","","","","1.111","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152789","9.4027","0.0015","13.097","0.002","24.592","0.004","90","","90","","90","","3028.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 O5 P S -","- C29 H49 O5 P S -","- C116 H196 O20 P4 S4 -","4","1","","Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei","A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.","Organic & biomolecular chemistry","2013","11","5","828","834","10.1039/c2ob26986d","","","0.71073","MoKα","","0.0928","0.0627","","","0.1554","0.1769","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152790","17.877","0.006","9.516","0.003","10.966","0.003","90","","91.469","0.005","90","","1864.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N5 O2 -","- C20 H16 Cl N5 O2 -","- C80 H64 Cl4 N20 O8 -","4","1","","Niu, Teng-Fei; Lv, Mei-Fang; Wang, Liang; Yi, Wen-Bin; Cai, Chun","Chemoselective preparation of 1,2,3-triazole-isoxazole bisfunctional derivatives and their application in peptidomimetic synthesis.","Organic & biomolecular chemistry","2013","11","6","1040","1048","10.1039/c2ob26990b","","","0.71073","MoKα","","0.0774","0.0582","","","0.1813","0.2089","","","","","","1.025","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152791","6.046","0.002","12.665","0.004","12.845","0.004","76.57","0.008","81.084","0.007","83.652","0.007","942.3","0.5","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H42 N2 O10 S2 -","- C38 H42 N2 O10 S2 -","- C38 H42 N2 O10 S2 -","1","1","","Ganesan, Muthupandian; Salunke, Rahul Vilas; Singh, Nem; Ramesh, Namakkal G.","Protecting group directed diversity during Mitsunobu cyclization of a carbohydrate derived diamino triol. Synthesis of novel bridged bicyclic and six-membered iminocyclitols.","Organic & biomolecular chemistry","2013","11","4","599","611","10.1039/c2ob27000e","","","0.71073","MoKα","","0.1519","0.0973","","","0.198","0.2299","","","","","","1.114","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152792","10.043","0.003","8.99","0.002","25.768","0.006","90","","96.651","0.005","90","","2310.8","1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C80 H96 N8 O24 S8 -","4","2","","Ganesan, Muthupandian; Salunke, Rahul Vilas; Singh, Nem; Ramesh, Namakkal G.","Protecting group directed diversity during Mitsunobu cyclization of a carbohydrate derived diamino triol. Synthesis of novel bridged bicyclic and six-membered iminocyclitols.","Organic & biomolecular chemistry","2013","11","4","599","611","10.1039/c2ob27000e","","","0.71073","MoKα","","0.1121","0.0846","","","0.2269","0.2399","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152793","8.5901","0.0008","13.7587","0.0013","9.4392","0.0009","90","","112.242","0.002","90","","1032.6","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl3 N O3 -","- C22 H20 Cl3 N O3 -","- C44 H40 Cl6 N2 O6 -","2","1","","Zhang, Xuefeng; Jiang, Xiaolong; Ding, Chunyong; Yao, Qizheng; Zhang, Ao","Unexpected N-glycosidation reaction of glycals with 1-amino-anthracene: structure revision and application to the synthesis of new analogues of marmycin A.","Organic & biomolecular chemistry","2013","11","8","1383","1389","10.1039/c2ob27020j","","","0.71073","MoKα","","0.0322","0.0315","","","0.0814","0.082","","","","","","1.052","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152794","30.156","0.007","8.795","0.002","11.162","0.003","90","","100.061","0.004","90","","2914.9","1.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0658","0.0492","","","0.1479","0.1572","","","","","","1.046","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152795","9.0702","0.0012","15.872","0.002","19.619","0.003","90","","90","","90","","2824.4","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C136 H104 F8 O16 -","8","1","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0669","0.0472","","","0.1367","0.1478","","","","","","1.091","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152796","11.8628","0.0012","5.9193","0.0006","12.0256","0.0012","90","","96.191","0.001","90","","839.51","0.15","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 I O3 -","- C19 H17 I O3 -","- C38 H34 I2 O6 -","2","1","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0245","0.0223","","","0.069","0.0836","","","","","","1.215","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152797","18.958","0.004","21.804","0.005","20.21","0.005","90","","91.004","0.004","90","","8353","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H94 N2 O29 -","- C76 H94 N2 O29 -","- C304 H376 N8 O116 -","4","1","","Chen, Lei; Li, Zhiming; Chen, Zhenxia; Hou, Jun-Li","Pillar[5]arenes with an introverted amino group: a hydrogen bonding tuning effect.","Organic & biomolecular chemistry","2013","11","2","248","251","10.1039/c2ob27044g","","","0.71073","MoKα","","0.2456","0.1409","","","0.369","0.4131","","","","","","1.076","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152798","8.0135","0.0007","15.0651","0.0013","22.7939","0.0019","90","","90.291","0.001","90","","2751.7","0.4","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 F3 N4 O2 -","- C14 H13 F3 N4 O2 -","- C112 H104 F24 N32 O16 -","8","2","","Kato, Jun-Ya; Aoyama, Hiroshi; Yokomatsu, Tsutomu","Development of a new cascade reaction for convergent synthesis of pyrazolo[1,5-a]quinoline derivatives under transition-metal-free conditions.","Organic & biomolecular chemistry","2013","11","7","1171","1178","10.1039/c2ob27050a","","","0.71073","MoKα","","0.0501","0.04","","","0.0967","0.1018","","","","","","1.034","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152799","15.501","0.003","15.08","0.003","11.907","0.003","90","","102.794","0.003","90","","2714.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C112 H104 Cl8 N16 O16 -","8","2","","Xin, Xiaoqing; Huang, Peng; Xiang, Dexuan; Zhang, Rui; Zhao, Fengyu; Zhang, Ning; Dong, Dewen","[5C + 1N] Annulation of 2,4-pentadienenitriles with hydroxylamine: a synthetic route to multi-substituted 2-aminopyridines.","Organic & biomolecular chemistry","2013","11","6","1001","1006","10.1039/c2ob27053f","","","0.71073","MoKα","","0.0858","0.0537","","","0.1249","0.1452","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152800","12.3417","0.0011","12.3417","0.0011","28.361","0.005","90","","90","","120","","3741.1","0.8","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C24 H31 N3 O4 S -","- C24 H31 N3 O4 S -","- C144 H186 N18 O24 S6 -","6","1","","Grygorenko, Oleksandr O.; Zhersh, Sergey; Oliinyk, Bohdan V.; Shishkin, Oleg V.; Tolmachev, Andrey A.","Conformational behaviour of peptides containing a 2-pyrrolidinemethanesulfonic acid (2PyMS) residue.","Organic & biomolecular chemistry","2013","11","6","975","983","10.1039/c2ob27058g","","","0.71073","MoKα","","0.1571","0.0533","","","0.0689","0.0857","","","","","","0.885","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152801","8.9964","0.0004","11.1739","0.0004","14.3314","0.0006","98.212","0.003","97.8","0.004","91.098","0.004","1411.61","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H36 N4 O5 S -","- C27 H36 N4 O5 S -","- C54 H72 N8 O10 S2 -","2","2","","Grygorenko, Oleksandr O.; Zhersh, Sergey; Oliinyk, Bohdan V.; Shishkin, Oleg V.; Tolmachev, Andrey A.","Conformational behaviour of peptides containing a 2-pyrrolidinemethanesulfonic acid (2PyMS) residue.","Organic & biomolecular chemistry","2013","11","6","975","983","10.1039/c2ob27058g","","","0.71073","MoKα","","0.1071","0.0533","","","0.1174","0.1384","","","","","","0.932","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152802","15.4735","0.0009","5.6","0.0003","16.5182","0.001","90","","117.181","0.003","90","","1273.26","0.13","296","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-1,2-diphenyl-1,2-bis(3-(trifluoromethyl)p","(E)-1,2-diphenyl-1,2-bis(3-(trifluoromethyl)phenylselanyl)ethene","","- C28 H18 F6 Se2 -","- C28 H18 F6 Se2 -","- C56 H36 F12 Se4 -","2","0.5","","Sartori, Glaubia; Neto, José S S; Pesarico, Ana Paula; Back, Davi F.; Nogueira, Cristina W.; Zeni, Gilson","Bis-vinyl selenides obtained via iron(iii) catalyzed addition of PhSeSePh to alkynes: synthesis and antinociceptive activity.","Organic & biomolecular chemistry","2013","11","7","1199","1208","10.1039/c2ob27064a","","","0.71073","MoKα","","0.106","0.0456","","","0.0884","0.1086","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152803","10.34","0.003","9.733","0.003","18.073","0.005","90","","106.331","0.005","90","","1745.5","0.9","296","2","296","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","2","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0431","0.0341","","","0.0804","0.0896","","","","","","0.985","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152804","10.153","0.003","10.273","0.003","16.191","0.005","90","","90","","90","","1688.7","0.9","200","2","200","2","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Boc-dgI-OEt","(4S,5S,E)-ethyl 4-(tert-butoxycarbonylamino)-5-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0455","0.0378","","","0.0912","0.0961","","","","","","1.023","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152805","11.306","0.006","31.857","0.016","5.353","0.003","90","","90","","90","","1928","1.8","100","2","100","2","","","101.325","","","","synthesis","4","P 21 21 2","P 2 2ab","18","","Boc-gL(b-CH2NO2)-COOEt","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C64 H120 N8 O24 -","4","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.1599","0.0931","","","0.232","0.266","","","","","","1.168","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152806","11.226","0.008","7.133","0.005","12.018","0.009","90","","110.948","0.015","90","","898.7","1.1","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","","Boc-gI(b-CH2NO2)-COOH","","- C14 H26 N2 O6 -","- C14 H26 N2 O6 -","- C28 H52 N4 O12 -","2","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0614","0.0441","","","0.1012","0.1106","","","","","","1.037","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152807","13.503","0.009","13.503","0.009","14.005","0.01","90","","90","","120","","2211","3","100","2","100","2","","","101.325","","","","Synthesis","4","P 32","P 32","145","","Boc-gV(b-CH2NO2)-gL(b-CH2NO2)-COOEt","","- C24 H44 N4 O9 -","- C24 H44 N4 O9 -","- C72 H132 N12 O27 -","3","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.2453","0.0865","","","0.2072","0.2952","","","","","","0.873","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152808","6.7348","0.0018","28.345","0.007","9.559","0.003","90","","97.64","0.007","90","","1808.6","0.9","298","1","298","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","1","","Mancebo-Aracil, Juan; Nájera, Carmen; Sansano, José M","Microwave-assisted multicomponent diastereoselective 1,3-dipolar cycloaddition of ethyl glyoxylate derived azomethine ylides.","Organic & biomolecular chemistry","2013","11","4","662","675","10.1039/c2ob27072b","","","0.71073","MoKα","","0.201","0.0807","","","0.1768","0.2188","","","","","","1.08","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152809","8.258","0.003","11.699","0.004","23.879","0.007","90","","90","","90","","2307","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br Cl N2 O2 -","- C27 H22 Br Cl N2 O2 -","- C108 H88 Br4 Cl4 N8 O8 -","4","1","","Liang, Jinyan; Chen, Qiao; Liu, Luping; Jiang, Xianxing; Wang, Rui","An organocatalytic asymmetric double Michael cascade reaction of unsaturated ketones and unsaturated pyrazolones: highly efficient synthesis of spiropyrazolone derivatives.","Organic & biomolecular chemistry","2013","11","9","1441","1445","10.1039/c2ob27095a","","","0.71073","MoKα","","0.0904","0.0407","","","0.073","0.0868","","","","","","0.985","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152810","23.896","0.007","23.896","0.007","30.268","0.009","90","","90","","120","","14968","8","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C112 H102 Cl4 N6 O6 S6 -","- C112 H102 Cl4 N6 O6 S6 -","- C672 H612 Cl24 N36 O36 S36 -","6","0.333333","","Sharma, Sanyog; Hundal, Maninder Singh; Hundal, Geeta","Dual channel chromo/fluorogenic chemosensors for cyanide and fluoride ions‒an example of in situ acid catalysis of the Strecker reaction for cyanide ion chemodosimetry.","Organic & biomolecular chemistry","2013","11","4","654","661","10.1039/c2ob27096j","","","0.71069","MoKα","","0.126","0.0683","","","0.2042","0.2613","","","","","","0.996","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152811","15.939","0.003","5.4586","0.0009","16.28","0.003","90","","96.807","0.003","90","","1406.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C52 H68 N12 O12 S4 -","4","1","","García-Valverde, María; Marcaccini, Stefano; González-Ortega, Alfonso; Rodríguez, Francisco Javier; Rojo, Josefa; Torroba, Tomás","Complementary regioselectivity in the synthesis of iminohydantoins: remarkable effect of amide substitution on the cyclization.","Organic & biomolecular chemistry","2013","11","5","721","725","10.1039/c2ob27098f","","","0.71073","MoKα","","0.0663","0.0475","","","0.1129","0.128","","","","","","1.049","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152812","13.1137","0.0014","6.2475","0.0007","14.2342","0.0016","90","","113.906","0.002","90","","1066.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N3 O3 S -","- C23 H27 N3 O3 S -","- C46 H54 N6 O6 S2 -","2","1","","García-Valverde, María; Marcaccini, Stefano; González-Ortega, Alfonso; Rodríguez, Francisco Javier; Rojo, Josefa; Torroba, Tomás","Complementary regioselectivity in the synthesis of iminohydantoins: remarkable effect of amide substitution on the cyclization.","Organic & biomolecular chemistry","2013","11","5","721","725","10.1039/c2ob27098f","","","0.71073","MoKα","","0.0774","0.0722","","","0.1506","0.1536","","","","","","1.008","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152813","8.6128","0.0011","9.9153","0.0012","12.1573","0.0016","104.434","0.002","100.523","0.003","108.276","0.002","915.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Br2 N2 O5 -","- C17 H16 Br2 N2 O5 -","- C34 H32 Br4 N4 O10 -","2","1","","Li, Wenjun; Huang, Jiayao; Wang, Jian","Organocatalytic conjugate addition promoted by multi-hydrogen-bond cooperation: access to chiral 2-amino-3-nitrile-chromenes.","Organic & biomolecular chemistry","2013","11","3","400","406","10.1039/c2ob27102h","","","0.71073","MoKα","","0.0345","0.0278","","","0.0711","0.0844","","","","","","1.113","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152814","6.248","0.002","14.246","0.005","32.517","0.01","90","","90","","90","","2894.3","1.6","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O8 -","- C32 H40 O8 -","- C128 H160 O32 -","4","1","","Song, Qiu-Yan; Jiang, Kan; Zhao, Qian-Qian; Gao, Kun; Jin, Xiao-Jie; Yao, Xiao-Jun","Eleven new highly oxygenated triterpenoids from the leaves and stems of Schisandra chinensis.","Organic & biomolecular chemistry","2013","11","7","1251","1258","10.1039/c2ob27115j","","","0.71073","MoKα","","0.0851","0.048","","","0.0923","0.1054","","","","","","0.999","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152815","9.592","0.002","10.08","0.003","11.857","0.003","89.893","0.01","76.026","0.007","80.083","0.008","1094.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 Cl N2 O3 -","- C28 H19 Cl N2 O3 -","- C56 H38 Cl2 N4 O6 -","2","1","","Wen, Li-Rong; Sun, Qi-Chang; Zhang, Hai-Liang; Li, Ming","A new rapid multicomponent domino heteroannulation of heterocyclic ketene aminals: solvent-free regioselective synthesis of functionalized benzo[g]imidazo[1,2-a]quinolinediones.","Organic & biomolecular chemistry","2013","11","5","781","786","10.1039/c2ob27137k","","","0.71073","MoKα","","0.0652","0.0587","","","0.123","0.1266","","","","","","1.162","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152816","17.9253","0.0007","5.36599","0.00019","15.7715","0.0005","90","","98.798","0.003","90","","1499.16","0.09","123.01","0.1","123.01","0.1","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Amslinger, Sabine; Al-Rifai, Nafisah; Winter, Katrin; Wörmann, Kilian; Scholz, Rebekka; Baumeister, Paul; Wild, Martin","Reactivity assessment of chalcones by a kinetic thiol assay.","Organic & biomolecular chemistry","2013","11","4","549","554","10.1039/c2ob27163j","","x-ray","1.54184","CuKα","","0.0402","0.0355","","","0.0916","0.0961","","","","","","1.034","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152817","13.853","0.007","9.965","0.005","15.005","0.008","90","","90.891","0.01","90","","2071.1","1.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Kand, Dnyaneshwar; Kalle, Arunasree Marasanapalli; Talukdar, Pinaki","Chromenoquinoline-based thiol probes: a study on the quencher position for controlling fluorescent Off-On characteristics.","Organic & biomolecular chemistry","2013","11","10","1691","1701","10.1039/c2ob27192c","","","0.71073","MoKα","","0.1228","0.0495","","","0.109","0.1427","","","","","","0.922","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152818","12.72","0.007","18.426","0.01","9.036","0.005","90","","122.238","0.009","90","","1791.4","1.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H14 N2 O3 -","- C24 H14 N2 O3 -","- C96 H56 N8 O12 -","4","1","","Kand, Dnyaneshwar; Kalle, Arunasree Marasanapalli; Talukdar, Pinaki","Chromenoquinoline-based thiol probes: a study on the quencher position for controlling fluorescent Off-On characteristics.","Organic & biomolecular chemistry","2013","11","10","1691","1701","10.1039/c2ob27192c","","","0.71073","MoKα","","0.0686","0.0453","","","0.1007","0.1144","","","","","","0.991","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152819","11.0598","0.0008","9.6504","0.0006","12.3144","0.001","90","","112.315","0.004","90","","1215.9","0.16","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","1","","Astolfi, Paola; Charles, Laurence; Gigmes, Didier; Greci, Lucedio; Rizzoli, Corrado; Sorana, Federico; Stipa, Pierluigi","Reactions of nitric oxide and nitrogen dioxide with coenzyme Q: involvement of the isoprenic chain.","Organic & biomolecular chemistry","2013","11","8","1399","1406","10.1039/c2ob27198b","","","1.54178","CuKα","","0.0458","0.0381","","","0.111","0.1224","","","","","","1.081","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152820","19.4982","0.0004","13.338","0.0003","43.2785","0.0011","90","","95.832","0.002","90","","11197.1","0.4","100","","100","","","","","","","","synthesized","7","C 1 c 1","C -2yc","9","","","","- C121 H144.4 Cl2 F6 N9 O10.7 P -","- C121 H144.4 Cl2 F6 N9 O10.7 P -","- C484 H577.6 Cl8 F24 N36 O42.8 P4 -","4","1","","White, Nicholas G.; Beer, Paul D.","A rotaxane host system containing integrated triazole C-H hydrogen bond donors for anion recognition.","Organic & biomolecular chemistry","2013","11","8","1326","1333","10.1039/c2ob27229f","","","0.6889","synchrotron","","0.1293","0.1264","","0.2919","0.2908","0.2919","","","","","","1.0601","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152821","11.7586","0.0005","23.4082","0.0013","23.5471","0.0012","93.401","0.004","98.295","0.004","92.975","0.004","6390.2","0.6","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C116 H129 Cl N10 O10 -","- C116 H129 Cl N10 O10 -","- C232 H258 Cl2 N20 O20 -","2","1","","White, Nicholas G.; Beer, Paul D.","A rotaxane host system containing integrated triazole C-H hydrogen bond donors for anion recognition.","Organic & biomolecular chemistry","2013","11","8","1326","1333","10.1039/c2ob27229f","","","1.1949","synchrotron","","0.1102","0.08","","0.264","0.1947","0.264","","","","","","1.0041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152822","9.098","0.003","15.524","0.006","17.674","0.006","90","","90","","90","","2496.2","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Br N2 O3 -","- C28 H21 Br N2 O3 -","- C112 H84 Br4 N8 O12 -","4","1","","Qin, Tian-You; Liao, Wei-Wei; Zhang, Yan-Jing; Zhang, Sean Xiao-An","Asymmetric organocatalytic allylic alkylation of Reissert compounds: a facile access to chiral 1,1-disubstituted 1,2-dihydroisoquinolines.","Organic & biomolecular chemistry","2013","11","6","984","990","10.1039/c2ob27269e","","","0.71073","MoKα","","0.0799","0.0415","","","0.0942","0.1073","","","","","","1.006","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152823","9.801","0.003","10.969","0.003","14.07","0.004","90","","90","","90","","1512.6","0.8","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C64 H48 Br4 N4 O12 -","4","1","","De Fusco, Claudia; Meninno, Sara; Tedesco, Consiglia; Lattanzi, Alessandra","Enantioselective α-hydroxylation of β-ketoamides.","Organic & biomolecular chemistry","2013","11","6","896","899","10.1039/c2ob27283k","","","0.71073","MoKα","","0.1224","0.0789","","","0.1777","0.1993","","","","","","1.075","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152824","6.116","0.006","11.264","0.007","13.284","0.008","111.01","0.07","92.49","0.07","101.66","0.08","829.9","1.2","294","2","294","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H19 N2 O5 P -","- C16 H19 N2 O5 P -","- C32 H38 N4 O10 P2 -","2","1","","Arróniz, Carlos; Molina, Juan; Abás, Sonia; Molins, Elies; Campanera, Josep M.; Luque, F. Javier; Escolano, Carmen","First diastereoselective [3 + 2] cycloaddition reaction of diethyl isocyanomethylphosphonate and maleimides.","Organic & biomolecular chemistry","2013","11","10","1640","1649","10.1039/c3ob26766k","","x-ray","0.71073","MoKα","","0.1876","0.0659","","","0.1378","0.1696","","","","","","0.898","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152825","14.959","0.002","14.959","0.002","14.02","0.003","90","","90","","120","","2717","0.8","113","2","113","2","","","","","","","","4","P 61","P 61","169","","","","- C21 H17 Br O4 -","- C21 H17 Br O4 -","- C126 H102 Br6 O24 -","6","1","","Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei","Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones.","Organic & biomolecular chemistry","2013","11","9","1451","1455","10.1039/c3ob27288e","","","0.71073","MoKα","","0.0383","0.0337","","","0.0636","0.0657","","","","","","1.007","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152826","9.254","0.004","10.49","0.005","11.773","0.005","90.722","0.006","91.612","0.006","112.65","0.009","1054","0.8","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 Cl O6 -","- C22 H25 Cl O6 -","- C44 H50 Cl2 O12 -","2","1","","Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei","Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones.","Organic & biomolecular chemistry","2013","11","9","1451","1455","10.1039/c3ob27288e","","","0.71073","MoKα","","0.0516","0.0333","","","0.0763","0.0806","","","","","","0.986","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152827","11.757","0.004","5.943","0.002","25.7","0.008","90","","102.394","0.006","90","","1753.9","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F O4 -","- C21 H17 F O4 -","- C84 H68 F4 O16 -","4","1","","Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei","Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones.","Organic & biomolecular chemistry","2013","11","9","1451","1455","10.1039/c3ob27288e","","","1.54187","CuKα","","0.0852","0.0816","","","0.178","0.1858","","","","","","1.164","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152828","7.0809","0.0007","7.6178","0.0008","21.146","0.002","90","","90","","90","","1140.6","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C48 H44 N12 O4 S4 -","4","1","","Xie, Zengyang; Zhu, Xiaojun; Guan, Yangfan; Zhu, Dunru; Hu, Hongwen; Lin, Chen; Pan, Yi; Jiang, Juli; Wang, Leyong","Cu-catalyzed direct C-H bond functionalization: a regioselective protocol to 5-aryl thiazolo[3,2-b]-1,2,4-triazoles.","Organic & biomolecular chemistry","2013","11","8","1390","1398","10.1039/c2ob27326h","","","0.71073","MoKα","","0.0486","0.0349","","","0.0752","0.0818","","","","","","1.038","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152829","6.3583","0.001","11.9472","0.0018","19.211","0.003","90","","91.318","0.002","90","","1459","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br Cl0 N3 S -","- C16 H10 Br N3 S -","- C64 H40 Br4 N12 S4 -","4","1","","Xie, Zengyang; Zhu, Xiaojun; Guan, Yangfan; Zhu, Dunru; Hu, Hongwen; Lin, Chen; Pan, Yi; Jiang, Juli; Wang, Leyong","Cu-catalyzed direct C-H bond functionalization: a regioselective protocol to 5-aryl thiazolo[3,2-b]-1,2,4-triazoles.","Organic & biomolecular chemistry","2013","11","8","1390","1398","10.1039/c2ob27326h","","","0.71073","MoKα","","0.0539","0.0357","","","0.0857","0.0917","","","","","","1.032","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152830","12.297","0.003","5.9174","0.0009","14.699","0.003","90","","105.678","0.004","90","","1029.8","0.4","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O2 -","- C22 H24 Br N O2 -","- C44 H48 Br2 N2 O4 -","2","1","","Lee, Myungmo; Lee, Young-Ju; Park, Eunyoung; Park, Yohan; Ha, Min Woo; Hong, Suckchang; Lee, Yeon-Ju; Kim, Taek-Soo; Kim, Mi-Hyun; Park, Hyeung-Geun","Highly enantioselective synthesis of 5-phenyl-2-alkylprolines using phase-transfer catalytic alkylation.","Organic & biomolecular chemistry","2013","11","12","2039","2046","10.1039/c3ob27089k","","","0.71075","MoKα","","","0.0405","","","","0.1218","","","","","","0.994","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152831","14.298","0.001","5.6536","0.0005","17.4704","0.0014","90","","111.057","0.004","90","","1317.92","0.19","120","0.1","120","0.1","","","","","","","synthesis as described","3","P 1 2/n 1","-P 2yac","13","2004uv01cj01","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","1.5418","CuKα","","0.0502","0.0446","","","0.1312","0.1363","","","","","","1.102","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152832","8.0469","0.0007","20.6366","0.0015","32.852","0.003","90","","90","","90","","5455.4","0.8","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","S-FBPOHMe","","","- C16 H16 O3 -","- C16 H16 O3 -","- C256 H256 O48 -","16","4","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","0.71073","MoKα","","0.0744","0.0436","","","0.0887","0.1024","","","","","","1.034","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152833","10.6549","0.0004","12.0512","0.0005","17.2822","0.0005","90","","90","","90","","2219.11","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","S-FBPOH/R-Trp","","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C108 H104 N8 O16 -","4","1","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","0.71073","MoKα","","0.0613","0.0495","","","0.0996","0.1059","","","","","","1.089","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152834","11.2094","0.0016","14.479","0.002","16.455","0.002","80.674","0.003","86.095","0.003","75.836","0.003","2554.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29.25 H31 N4 O2.25 -","- C29.25 H30 N4 O2.25 -","- C117 H120 N16 O9 -","4","2","","Li, Honglin; Guan, Hong; Duan, Xinrui; Hu, Jun; Wang, Guiren; Wang, Qian","An acid catalyzed reversible ring-opening/ring-closure reaction involving a cyano-rhodamine spirolactam.","Organic & biomolecular chemistry","2013","11","11","1805","1809","10.1039/c3ob27356c","","","0.71073","MoKα","","0.0847","0.0459","","","0.0744","0.0843","","","","","","0.855","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152835","5.7374","0.0005","15.8715","0.0013","15.0804","0.0013","90","","96.019","0.001","90","","1365.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Gautam, Lekh Nath; Wang, Qiaoyi; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Stereoselective synthesis of N-heterocycles through amine addition to nitroalkenes.","Organic & biomolecular chemistry","2013","11","12","1917","1920","10.1039/c3ob27452g","","","0.71073","MoKα","","0.0653","0.0587","","","0.1664","0.1734","","","","","","1.056","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152836","20.6041","0.0014","10.2213","0.0006","6.8832","0.0005","90","","90.37","0.007","90","","1449.58","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 I N4 O -","- C13 H17 I N4 O -","- C52 H68 I4 N16 O4 -","4","1","","Lebraud, Honorine; Cano, Celine; Carbain, Benoit; Hardcastle, Ian R.; Harrington, Ross W.; Griffin, Roger J.; Golding, Bernard T.","Trifluoroethanol solvent facilitates selective N-7 methylation of purines.","Organic & biomolecular chemistry","2013","11","11","1874","1878","10.1039/c3ob27473j","","","0.71073","MoKα","","0.05","0.0428","","","0.1069","0.1121","","","","","","1.065","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152837","18.4983","0.0019","9.7453","0.001","14.3824","0.0015","90","","117.709","0.002","90","","2295.4","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H25 Br N2 O4 -","- C24 H25 Br N2 O4 -","- C96 H100 Br4 N8 O16 -","4","1","","Hu, Fang-Le; Wei, Yin; Shi, Min; Pindi, Suresh; Li, Guigen","Asymmetric catalytic aza-Morita-Baylis-Hillman reaction for the synthesis of 3-substituted-3-aminooxindoles with chiral quaternary carbon centers.","Organic & biomolecular chemistry","2013","11","12","1921","1924","10.1039/c3ob27495k","","","0.71073","MoKα","","0.0407","0.0353","","","0.0785","0.0806","","","","","","0.97","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152838","6.69","0.002","7.08","0.002","20.692","0.006","90","","95.955","0.005","90","","974.8","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O8 -","- C22 H22 O8 -","- C44 H44 O16 -","2","1","","Wang, Zhaofeng; Zhao, Kun; Fu, Junkai; Zhang, Junlin; Yin, Weiyu; Tang, Yefeng","Organocatalytic 1,4-conjugate addition of ascorbic acid to α,β-unsaturated aldehydes: bio-inspired total syntheses of leucodrin, leudrin and proposed structure of dilaspirolactone.","Organic & biomolecular chemistry","2013","11","13","2093","2097","10.1039/c3ob00046j","","","0.71073","MoKα","","0.0498","0.0471","","","0.0973","0.0992","","","","","","1.119","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152839","6.1123","0.0004","17.974","0.0012","11.7487","0.0008","90","","96.038","0.001","90","","1283.58","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Zhang, Jinzhu; Wu, Jing; Yin, Zhiwei; Zeng, Haisu; Khanna, Kunal; Hu, Chunhua; Zheng, Shengping","An expedient stereoselective and chemoselective synthesis of bicyclic oxazolidinones from quinols and isocyanates.","Organic & biomolecular chemistry","2013","11","18","2939","2942","10.1039/c3ob00047h","","","0.71073","MoKα","","0.0483","0.0424","","","0.1124","0.1176","","","","","","1.042","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152840","11.3435","0.001","5.9481","0.0005","20.6935","0.0018","90","","103.511","0.001","90","","1357.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C60 H56 Br4 N4 O12 -","4","1","","Zhang, Jinzhu; Wu, Jing; Yin, Zhiwei; Zeng, Haisu; Khanna, Kunal; Hu, Chunhua; Zheng, Shengping","An expedient stereoselective and chemoselective synthesis of bicyclic oxazolidinones from quinols and isocyanates.","Organic & biomolecular chemistry","2013","11","18","2939","2942","10.1039/c3ob00047h","","","0.71073","MoKα","","0.0338","0.0248","","","0.0532","0.0564","","","","","","1.029","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152841","14.8275","0.0013","7.8956","0.0007","11.8515","0.0011","90","","94.993","0.001","90","","1382.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Zhang, Jinzhu; Wu, Jing; Yin, Zhiwei; Zeng, Haisu; Khanna, Kunal; Hu, Chunhua; Zheng, Shengping","An expedient stereoselective and chemoselective synthesis of bicyclic oxazolidinones from quinols and isocyanates.","Organic & biomolecular chemistry","2013","11","18","2939","2942","10.1039/c3ob00047h","","","0.71073","MoKα","","0.0409","0.0354","","","0.0897","0.0945","","","","","","1.054","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152842","8.517","0.006","10.598","0.007","16.662","0.011","90","","94.57","0.007","90","","1499.2","1.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Zhang, Jian-Jian; Yan, Chang-Song; Peng, Yu; Luo, Zhen-Biao; Xu, Xiao-Bo; Wang, Ya-Wen","Total synthesis of (±)-sacidumlignans D and A through Ueno-Stork radical cyclization reaction.","Organic & biomolecular chemistry","2013","11","15","2498","2513","10.1039/c3ob00053b","","","0.71073","MoKα","","0.0985","0.0452","","","0.1041","0.1286","","","","","","1.035","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152843","12.3947","0.0007","8.5143","0.0004","21.6771","0.001","90","","104.571","0.006","90","","2214.1","0.2","294.5","0.14","294.5","0.14","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","","Zhang, Jian-Jian; Yan, Chang-Song; Peng, Yu; Luo, Zhen-Biao; Xu, Xiao-Bo; Wang, Ya-Wen","Total synthesis of (±)-sacidumlignans D and A through Ueno-Stork radical cyclization reaction.","Organic & biomolecular chemistry","2013","11","15","2498","2513","10.1039/c3ob00053b","","","0.7107","MoKα","","0.1775","0.0973","","","0.2672","0.3319","","","","","","0.986","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152844","12.701","0.009","13.483","0.01","24.743","0.018","90","","95.229","0.006","90","","4220","5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 O7 -","- C22 H28 O7 -","- C176 H224 O56 -","8","1","","Zhang, Jian-Jian; Yan, Chang-Song; Peng, Yu; Luo, Zhen-Biao; Xu, Xiao-Bo; Wang, Ya-Wen","Total synthesis of (±)-sacidumlignans D and A through Ueno-Stork radical cyclization reaction.","Organic & biomolecular chemistry","2013","11","15","2498","2513","10.1039/c3ob00053b","","","0.71073","MoKα","","0.0822","0.0499","","","0.1482","0.1754","","","","","","1.1","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152845","8.376","0.002","13.152","0.003","11.24","0.003","90","","104.024","0.004","90","","1201.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-Methylphenylimino)-1,3-thiaselenane","","- C11 H13 N S Se -","- C11 H13 N S Se -","- C44 H52 N4 S4 Se4 -","4","1","","Toyoda, Yosuke; Ninomiya, Masayuki; Ebihara, Masahiro; Koketsu, Mamoru","The Staudinger reaction with 2-imino-1,3-thiaselenanes toward the synthesis of C4 spiro-β-lactams.","Organic & biomolecular chemistry","2013","11","16","2652","2659","10.1039/c3ob00073g","","","0.71075","MoKα","","0.0539","0.0372","","","0.09","0.0967","","","","","","0.882","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152846","12.348","0.003","17.281","0.004","14.35","0.004","90","","100.9","0.004","90","","3006.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-5-selena-9-thia-1-(4-tolyl)-1-azaspiro[3.5]nonan-2-one","","- C14 H17 N O2 S Se -","- C14 H17 N O2 S Se -","- C112 H136 N8 O16 S8 Se8 -","8","2","","Toyoda, Yosuke; Ninomiya, Masayuki; Ebihara, Masahiro; Koketsu, Mamoru","The Staudinger reaction with 2-imino-1,3-thiaselenanes toward the synthesis of C4 spiro-β-lactams.","Organic & biomolecular chemistry","2013","11","16","2652","2659","10.1039/c3ob00073g","","","0.71075","MoKα","","0.0736","0.0576","","","0.1553","0.1667","","","","","","1.068","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152847","12.283","0.005","5.835","0.002","19.052","0.008","90","","91.933","0.006","90","","1364.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Methoxy-N-phenyl-2-(1,3-thiaselenan-2-ylidene)acetamide","","- C13 H15 N O2 S Se -","- C13 H15 N O2 S Se -","- C52 H60 N4 O8 S4 Se4 -","4","1","","Toyoda, Yosuke; Ninomiya, Masayuki; Ebihara, Masahiro; Koketsu, Mamoru","The Staudinger reaction with 2-imino-1,3-thiaselenanes toward the synthesis of C4 spiro-β-lactams.","Organic & biomolecular chemistry","2013","11","16","2652","2659","10.1039/c3ob00073g","","","0.71075","MoKα","","0.1271","0.0697","","","0.1822","0.2658","","","","","","0.888","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152848","13.3763","0.0002","18.3674","0.0002","10.6707","0.0001","90","","98.939","0.001","90","","2589.82","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 O4 -","- C33 H28 O4 -","- C132 H112 O16 -","4","1","","Selvi, Thangavel; Srinivasan, Kannupal","Indium triflate-catalysed Diels-Alder reactions of isochromenylium cations with enones.","Organic & biomolecular chemistry","2013","11","13","2162","2167","10.1039/c3ob26284g","","","0.71073","MoKα","","0.0513","0.0419","","","0.1112","0.1199","","","","","","1.031","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152849","9.862","0.002","10.08","0.002","27.249","0.006","90","","90","","90","","2708.8","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-isopropyl-5-methylcyclohexyl-4-(tert-butoxycarbonylamino)-2-methyl-5-phenylpentanoate","2-isopropyl-5-methylcyclohexyl-4-(tert-butoxycarbonylamino)-2-methyl-5-phenylpentanoate","","- C27 H43 N O4 -","- C27 H43 N O4 -","- C108 H172 N4 O16 -","4","1","","Shankar, Sreejith P.; Jagodzinska, Monika; Malpezzi, Luciana; Lazzari, Paolo; Manca, Ilaria; Greig, Iain R.; Sani, Monica; Zanda, Matteo","Synthesis and structure-activity relationship studies of novel tubulysin U analogues - effect on cytotoxicity of structural variations in the tubuvaline fragment.","Organic & biomolecular chemistry","2013","11","14","2273","2287","10.1039/c3ob27111k","","","1.54179","CuKα","","0.0591","0.0477","","","0.1207","0.1301","","","","","","1.072","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152850","12.756","0.005","15.696","0.005","10.018","0.005","90","0.005","98.51","0.005","90","0.005","1983.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3-(tert-butoxycarbonylamino)-4-methylpentanoyl) thiazole-4-carboxylate","","- C17 H28 N2 O5 S -","- C17 H28 N2 O5 S -","- C68 H112 N8 O20 S4 -","4","1","","Shankar, Sreejith P.; Jagodzinska, Monika; Malpezzi, Luciana; Lazzari, Paolo; Manca, Ilaria; Greig, Iain R.; Sani, Monica; Zanda, Matteo","Synthesis and structure-activity relationship studies of novel tubulysin U analogues - effect on cytotoxicity of structural variations in the tubuvaline fragment.","Organic & biomolecular chemistry","2013","11","14","2273","2287","10.1039/c3ob27111k","","","1.54179","CuKα","","0.0768","0.0552","","","0.1423","0.1584","","","","","","1.057","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152851","14.698","0.002","14.698","0.001","15.598","0.003","90","","90","","90","","3369.7","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 F6 N3 O8 -","- C29 H39 F6 N3 O8 -","- C116 H156 F24 N12 O32 -","4","1","","Bellucci, Maria Cristina; Terraneo, Giancarlo; Volonterio, Alessandro","Multi-component synthesis of peptide-sugar conjugates.","Organic & biomolecular chemistry","2013","11","15","2421","2444","10.1039/c3ob27176e","","","0.71073","MoKα","","0.0862","0.0438","","","0.1157","0.132","","","","","","0.956","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152852","11.13","0.001","17.499","0.001","14.051","0.001","90","","99.9","0.003","90","","2695.9","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H35 F6 N3 O4 -","- C21 H35 F6 N3 O4 -","- C84 H140 F24 N12 O16 -","4","2","","Bellucci, Maria Cristina; Terraneo, Giancarlo; Volonterio, Alessandro","Multi-component synthesis of peptide-sugar conjugates.","Organic & biomolecular chemistry","2013","11","15","2421","2444","10.1039/c3ob27176e","","","0.71073","MoKα","","0.1055","0.0499","","","0.0915","0.1081","","","","","","1.006","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152853","7.192","0.003","14.069","0.004","9.2117","0.0016","90","","102.365","0.019","90","","910.5","0.5","123","1","123","1","","","","","","","Alan Spivey","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","0.71069","MoKα","","0.0517","0.0413","","","0.1134","0.1203","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152854","6.2151","0.0002","16.8252","0.0005","9.7311","0.0004","90","","90.176","0.001","90","","1017.58","0.06","120","1","120","1","","","","","","","","4","P 1 21 1","P 2yb","4","03csf003","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","0.71073","MoKα","","0.0761","0.0518","","","0.1087","0.1216","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152855","10.6749","0.0008","11.6338","0.0009","17.366","0.0011","108.132","0.003","103.266","0.003","110.833","0.004","1769.5","0.2","273","1","273","1","","","","","","","","4","P -1","-P 1","2","04csf005","","","- C40 H47 N O7 -","- C40 H47 N O7 -","- C80 H94 N2 O14 -","2","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","0.71073","MoKα","","0.0513","0.0455","","","0.1213","0.1277","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152856","16.17422","0.00015","16.17422","0.00015","7.32793","0.00011","90","","90","","90","","1917.03","0.04","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C19 H27 N O5 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","1.54184","CuKα","","0.044","0.0374","","","0.0947","0.0987","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152857","10.6847","0.0002","12.1746","0.0003","14.678","0.0003","90","","95.328","0.002","90","","1901.09","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 N O6 -","- C19 H29 N O6 -","- C76 H116 N4 O24 -","4","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","1.54184","CuKα","","0.0407","0.037","","","0.1","0.1021","","","","","","1.081","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152858","8.623","0.003","41.598","0.013","19.413","0.006","90","","100.518","0.005","90","","6846","4","100","2","100","2","","","","","","","Claudia Caltagirone","4","P 1 21/n 1","-P 2yn","14","","","","- C75 H107 N7 O6 -","- C75 H107 N7 O6 -","- C300 H428 N28 O24 -","4","1","","Caltagirone, Claudia; Bazzicalupi, Carla; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Olivari, Martina; Picci, Giacomo","A new family of bis-ureidic receptors for pyrophosphate optical sensing.","Organic & biomolecular chemistry","2013","11","15","2445","2451","10.1039/c3ob27244c","","","0.71075","MoKα","","0.1606","0.1018","","","0.1504","0.1762","","","","","","1.196","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152859","10.2116","0.0007","19.269","0.001","10.7192","0.0007","90","","113.424","0.001","90","","1935.4","0.2","123.2","","123.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N6 O -","- C21 H24 N6 O -","- C84 H96 N24 O4 -","4","1","","Soeta, Takahiro; Tamura, Kaname; Fujinami, Shuhei; Ukaji, Yutaka","A three-component reaction of C,N-cyclic N'-acyl azomethine imines, isocyanides, and azide compounds: effective synthesis of 1,5-disubstituted tetrazoles with tetrahydroisoquinoline skeletons.","Organic & biomolecular chemistry","2013","11","13","2168","2174","10.1039/c3ob27297d","","","0.7107","MoKα","","","0.0493","","","","0.0738","","","","","","1.294","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152860","6.0206","0.0004","10.2488","0.0007","20.3688","0.0013","90","","90","","90","","1256.83","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br S -","- C14 H11 Br S -","- C56 H44 Br4 S4 -","4","1","","Yang, Zhaozhen; Chen, Xiaoyi; Kong, Wei; Xia, Siyuan; Zheng, Renwei; Luo, Fang; Zhu, Gangguo","An operationally simple approach to (E)-α-halo vinyl sulfides and their applications for accessing stereodefined trisubstituted alkenes.","Organic & biomolecular chemistry","2013","11","13","2175","2185","10.1039/c3ob27307e","","","0.71073","MoKα","","0.0682","0.0353","","","0.074","0.0815","","","","","","1.059","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152861","17.855","0.002","6.2136","0.0007","27.618","0.003","90","","104.351","0.0017","90","","2968.4","0.6","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 O2 -","- C42 H38 O2 -","- C168 H152 O8 -","4","1","","Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.","Organic & biomolecular chemistry","2013","11","13","2186","2197","10.1039/c3ob27320b","","","0.7107","MoKα","","","0.118","","","","0.2846","","","","","","1.231","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152862","11.3212","0.0006","11.3699","0.0006","25.0897","0.0014","96.268","0.004","96.618","0.004","90.287","0.004","3188.4","0.3","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H42 -","- C44 H42 -","- C176 H168 -","4","2","","Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.","Organic & biomolecular chemistry","2013","11","13","2186","2197","10.1039/c3ob27320b","","","0.7749","synchrotron","","0.089","0.0609","","","0.1558","0.1721","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7152863","10.1439","0.0009","20.8219","0.0016","30.084","0.003","72.507","0.005","85.489","0.006","89.879","0.006","6040","0.9","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H38 O2 -","- C42 H38 O2 -","- C336 H304 O16 -","8","4","","Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.","Organic & biomolecular chemistry","2013","11","13","2186","2197","10.1039/c3ob27320b","","","0.7749","synchrotron","","0.1079","0.0752","","","0.1907","0.2123","","","","","","1.061","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7152864","5.7917","0.0006","16.0545","0.0016","18.954","0.002","90","","90.01","0.001","90","","1762.4","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","2","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.2419","0.128","","","0.2915","0.3449","","","","","","1.057","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152865","7.3977","0.0003","9.1656","0.0003","14.8408","0.0005","90","","99.475","0.002","90","","992.54","0.06","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.051","0.043","","","0.1138","0.1219","","","","","","1.064","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152866","15.108","0.0003","9.3204","0.0002","16.7632","0.0004","90","","112.403","0.001","90","","2182.32","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O4 -","- C11 H18 O4 -","- C88 H144 O32 -","8","2","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0441","0.036","","","0.0956","0.1035","","","","","","0.814","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152867","9.0166","0.0005","29.3472","0.0017","10.9981","0.0006","90","","108.743","0.002","90","","2755.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Cl2 O8 -","- C25 H42 Cl2 O8 -","- C100 H168 Cl8 O32 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0862","0.0567","","","0.136","0.1537","","","","","","1.032","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152868","9.3155","0.0011","19.012","0.002","6.3222","0.0007","90","","118.966","0.002","90","","979.63","0.19","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0453","0.0385","","","0.0993","0.1053","","","","","","1.044","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152869","5.902","0.0002","34.899","0.0012","7.948","0.0002","90","","100.671","0.001","90","","1608.77","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 O5 S -","- C16 H22 O5 S -","- C64 H88 O20 S4 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0812","0.0624","","","0.1767","0.196","","","","","","1.052","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152870","9.829","0.0004","9.8991","0.0004","16.3718","0.0006","90","","90","","90","","1592.95","0.11","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0355","0.0331","","","0.0862","0.088","","","","","","1.043","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152871","9.9411","0.0004","14.1752","0.0005","14.3185","0.0006","66.168","0.002","82.006","0.001","90.097","0.002","1824.01","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 N O4 S -","- C18 H27 N O4 S -","- C72 H108 N4 O16 S4 -","4","2","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.1596","0.0982","","","0.2531","0.2953","","","","","","1.022","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152872","5.7769","0.0009","8.856","0.002","14.249","0.003","84.286","0.008","79.6","0.006","76.235","0.008","695.2","0.2","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","1","1","","Tambara, Koujiro; Pantoş, G Dan","Conversion of aldoximes into nitriles and amides under mild conditions.","Organic & biomolecular chemistry","2013","11","15","2466","2472","10.1039/c3ob27362h","","","0.71073","MoKα","","0.1024","0.0934","","","0.2637","0.2715","","","","","","1.067","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152873","8.53","0.0003","12.4076","0.0004","15.1863","0.0007","90","","90","","90","","1607.27","0.11","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N4 O2 -","- C17 H24 N4 O2 -","- C68 H96 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","1.5418","CuKα","","0.0444","0.0387","","","0.1035","0.1165","","","","","","1.154","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152874","15.0424","0.0007","11.666","0.0004","12.3412","0.0005","90","","111.569","0.005","90","","2014.04","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C92 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","1.5418","CuKα","","0.1001","0.0809","","","0.2029","0.2153","","","","","","1.098","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152875","8.6628","0.0004","8.6628","0.0004","55.161","0.002","90","","90","","90","","4139.5","0.3","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C184 H224 N32 O16 -","8","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0495","0.0413","","","0.0966","0.1014","","","","","","1.066","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152876","12.9249","0.0004","20.3503","0.0005","9.3869","0.0004","90","","124.73","0.001","90","","2029.13","0.12","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C92 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0644","0.0509","","","0.1056","0.1156","","","","","","1.059","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152877","7.9849","0.0003","7.9849","0.0003","19.6071","0.0008","90","","90","","90","","1250.12","0.08","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C11 H20 N4 O2 -","- C11 H20 N4 O2 -","- C44 H80 N16 O8 -","4","0.5","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0507","0.0414","","","0.1043","0.1118","","","","","","1.02","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152878","8.1565","0.0008","12.776","0.0015","15.5401","0.0017","90","","90","","90","","1619.4","0.3","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C15 H28 N4 O2 -","- C15 H28 N4 O2 -","- C60 H112 N16 O8 -","4","0.5","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.1156","0.0775","","","0.1471","0.1639","","","","","","1.068","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152879","14.0399","0.0003","8.1422","0.0002","14.4418","0.0003","90","","90","","90","","1650.92","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N4 O2 -","- C15 H28 N4 O2 -","- C60 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.057","0.045","","","0.0982","0.1057","","","","","","1.036","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152880","6.6979","0.0002","12.3452","0.0005","13.8609","0.0004","90","","103.061","0.002","90","","1116.47","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N4 O3 -","- C9 H18 N4 O3 -","- C36 H72 N16 O12 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0896","0.054","","","0.1145","0.1291","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152881","8.6902","0.0001","34.9283","0.0003","11.4932","0.0002","90","","103.15","","90","","3397.1","0.08","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H25 Au F6 N O7 P S2 -","- C30 H25 Au F6 N O7 P S2 -","- C120 H100 Au4 F24 N4 O28 P4 S8 -","4","2","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0479","0.0375","","","0.0789","0.0832","","","","","","1.003","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152882","11.581","0.0002","13.095","0.0003","13.0305","0.0003","90","","114.426","0.001","90","","1799.25","0.07","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C37 H33 Au F3 N2 O4 P S -","- C37 H33 Au F3 N2 O4 P S -","- C74 H66 Au2 F6 N4 O8 P2 S2 -","2","1","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0519","0.046","","","0.1194","0.1249","","","","","","1.064","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152883","10.5355","0.0003","11.8539","0.0004","15.7927","0.0005","94.235","0.002","100.106","0.001","112.49","0.002","1772.35","0.1","173","2","173","2","","","","","","","synthesis as described","8","P 1","P 1","1","","","","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","1","1","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0374","0.0305","","","0.0675","0.0706","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152884","10.958","0.013","11.539","0.013","16.667","0.019","75.826","0.013","82.501","0.013","65.07","0.012","1852","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H35 F12 N5 O P2 -","- C36 H35 F12 N5 O P2 -","- C72 H70 F24 N10 O2 P4 -","2","1","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.0877","0.0744","","","0.2161","0.2335","","","","","","1.034","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152885","9.6585","0.0004","25.7091","0.0012","14.0835","0.0007","90","","92.542","0.002","90","","3493.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 F24 N10 O P4 -","- C68 H56 F24 N10 O P4 -","- C136 H112 F48 N20 O2 P8 -","2","0.5","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.2034","0.0815","","","0.2006","0.2533","","","","","","1.104","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152886","14.481","0.003","13.824","0.003","16.878","0.003","90","","109.685","0.003","90","","3181.3","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15.5 Br N2.5 O1.5 -","- C17 H15.5 Br N2.5 O1.5 -","- C136 H124 Br8 N20 O12 -","8","4","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.106","0.0641","","","0.1537","0.1815","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152887","8.8544","0.0015","11.0995","0.0019","16.475","0.003","91.233","0.002","90.453","0.002","105.781","0.002","1557.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4.11 H3.22 Br0.22 N0.56 O0.06 -","- C4.11111 H3.22222 Br0.222222 N0.555556 O0.0555556 -","- C74 H58 Br4 N10 O -","18","9","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.1144","0.063","","","0.1865","0.2112","","","","","","1.082","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152888","7.7325","0.0003","8.863","0.0003","9.8596","0.0003","82.255","0.002","68.663","0.002","78.619","0.002","615.55","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O -","- C17 H11 N O -","- C34 H22 N2 O2 -","2","1","","Chen, Xuxing; He, Qian; Xie, Yuyuan; Yang, Chunhao","Palladium(ii)-catalyzed synthesis of functionalized indenones via oxidation and cyclization of 2-(2-arylethynylphenyl)acetonitriles.","Organic & biomolecular chemistry","2013","11","16","2582","2585","10.1039/c3ob40103k","","","0.71073","MoKα","","0.0586","0.0503","","","0.1646","0.1725","","","","","","1.634","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152889","9.6394","0.0003","13.2527","0.0004","22.5332","0.0006","90","","90","","90","","2878.57","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 O7 S2 -","- C30 H36 O7 S2 -","- C120 H144 O28 S8 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","0.71073","MoKα","","0.0281","0.0266","","","0.0694","0.0705","","","","","","1.02","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152890","5.7115","0.0001","15.4417","0.0003","19.7977","0.0004","90","","95.9719","0.0008","90","","1736.59","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2Z)-2-(5-fluoro-2-{2-(phenylsulfonyl)ethyl}benzyl)but-2-ene-1,4-diol","","- C19 H21 F O4 S -","- C19 H21 F O4 S -","- C76 H84 F4 O16 S4 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0427","0.0405","","","0.1143","0.1166","","","","","","1.033","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152891","12.4942","0.0006","13.9308","0.0006","40.8485","0.0018","90","","90","","90","","7109.9","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 F O7.5 S2 -","- C38 H46 F O7.5 S2 -","- C304 H368 F8 O60 S16 -","8","2","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","0.71073","MoKα","","0.0599","0.0412","","","0.0844","0.0932","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152892","8.2366","0.0002","12.8102","0.0003","37.2684","0.0007","90","","90","","90","","3932.28","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 F O9 S2 -","- C37 H41 F O9 S2 -","- C148 H164 F4 O36 S8 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0295","0.0292","","","0.0789","0.0791","","","","","","1.084","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152893","12.3385","0.0001","13.7101","0.0002","41.224","0.0005","90","","90","","90","","6973.54","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 F O7.5 S2 -","- C37 H42 F O7.5 S2 -","- C296 H336 F8 O60 S16 -","8","2","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0291","0.0284","","","0.076","0.0765","","","","","","1.057","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152894","9.912","0.0006","11.6861","0.0009","15.4195","0.0011","93.93","0.001","104.033","0.002","103.177","0.002","1672.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H38 N2 O3 -","- C37 H38 N2 O3 -","- C74 H76 N4 O6 -","2","1","","Ding, Yubin; Li, Tong; Li, Xin; Zhu, Weihong; Xie, Yongshu","From nonconjugation to conjugation: novel meso-OH substituted dipyrromethanes as fluorescence turn-on Zn(2+) probes.","Organic & biomolecular chemistry","2013","11","16","2685","2692","10.1039/c3ob40121a","","","0.71073","MoKα","","0.1287","0.0603","","","0.1044","0.1206","","","","","","1.063","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152895","10.477","0.003","12.939","0.003","13.929","0.003","111.981","0.007","99.22","0.007","101.616","0.007","1656.4","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 N6 O -","- C38 H44 N6 O -","- C76 H88 N12 O2 -","2","1","","Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan","The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.","Organic & biomolecular chemistry","2013","11","17","2818","2826","10.1039/c3ob40147b","","","0.71073","MoKα","","0.0799","0.0478","","","0.1151","0.1315","","","","","","1.005","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152896","11.774","0.002","13.988","0.003","17.936","0.003","97.519","0.006","104.854","0.006","111.281","0.005","2577","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H43.33 N6 O0.66 -","- C38 H43.3333 N6 O0.666667 -","- C114 H130 N18 O2 -","3","1.5","","Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan","The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.","Organic & biomolecular chemistry","2013","11","17","2818","2826","10.1039/c3ob40147b","","","0.71073","MoKα","","0.1194","0.053","","","0.1182","0.1475","","","","","","1.004","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152897","13.937","0.005","19.444","0.007","11.779","0.004","90","","100.961","0.014","90","","3133.8","1.9","295","2","295","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C38 H38 N6 -","- C38 H38 N6 -","- C152 H152 N24 -","4","1","","Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan","The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.","Organic & biomolecular chemistry","2013","11","17","2818","2826","10.1039/c3ob40147b","","","0.71073","MoKα","","0.081","0.0503","","","0.1126","0.1266","","","","","","1.043","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152898","6.9174","0.0002","9.4363","0.0003","14.0634","0.0004","90","","90","","90","","917.98","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C32 H60 N4 O12 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Polyhydroxylated pyrrolizidine alkaloids from transannular iodoaminations: application to the asymmetric syntheses of (-)-hyacinthacine A1, (-)-7a-epi-hyacinthacine A1, (-)-hyacinthacine A2, and (-)-1-epi-alexine.","Organic & biomolecular chemistry","2013","11","19","3187","3202","10.1039/c3ob40205c","","","1.54184","CuKα","","0.0382","0.034","","0.0864","0.083","0.0864","","","","","","1.0023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152899","9.0523","0.0001","11.9795","0.0002","22.5183","0.0004","90","","90","","90","","2441.93","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O6 -","- C25 H37 N O6 -","- C100 H148 N4 O24 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Polyhydroxylated pyrrolizidine alkaloids from transannular iodoaminations: application to the asymmetric syntheses of (-)-hyacinthacine A1, (-)-7a-epi-hyacinthacine A1, (-)-hyacinthacine A2, and (-)-1-epi-alexine.","Organic & biomolecular chemistry","2013","11","19","3187","3202","10.1039/c3ob40205c","","","0.71073","MoKα","","0.0322","0.028","","0.0678","0.0635","0.0678","","","","","","0.9306","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152900","7.677","0.0015","14.89","0.003","8.9195","0.0018","90","","105.14","0.03","90","","984.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0695","0.0615","","","0.1283","0.1326","","","","","","1.166","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152901","13.826","0.003","9.5792","0.0019","16.063","0.003","90","","90","","90","","2127.4","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0722","0.061","","","0.1202","0.1253","","","","","","1.191","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152902","25.951","0.005","5.6442","0.0011","15.203","0.003","90","","113.62","0.03","90","","2040.3","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0947","0.0833","","","0.1619","0.1678","","","","","","1.233","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152903","11.044","0.003","8.006","0.0019","11.73","0.003","90","","98.346","0.004","90","","1026.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0555","0.0502","","","0.1136","0.1176","","","","","","1.112","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152904","15.663","0.003","8.2891","0.0017","21.056","0.004","90","","90","","90","","2733.7","0.9","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C112 H160 N16 O16 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0889","0.0731","","","0.123","0.1285","","","","","","1.245","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152905","10.6173","0.0007","9.222","0.0006","10.9711","0.0007","90","","115.165","0.002","90","","972.25","0.11","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Cl N O4 -","- C22 H22 Cl N O4 -","- C44 H44 Cl2 N2 O8 -","2","1","","Ray, Sumit K.; Rout, Subhrajit; Singh, Vinod K.","Enantioselective synthesis of 3,4-dihydropyran derivatives via a Michael addition reaction catalysed by chiral pybox-diph-Zn(ii) complex.","Organic & biomolecular chemistry","2013","11","15","2412","2416","10.1039/c3ob40246k","","","0.71073","MoKα","","0.0471","0.0373","","","0.0757","0.0791","","","","","","1.054","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152906","10.1531","0.0009","9.1685","0.0007","11.3968","0.0009","90","","110.669","0.002","90","","992.63","0.14","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O4 -","- C22 H22 Br N O4 -","- C44 H44 Br2 N2 O8 -","2","1","","Ray, Sumit K.; Rout, Subhrajit; Singh, Vinod K.","Enantioselective synthesis of 3,4-dihydropyran derivatives via a Michael addition reaction catalysed by chiral pybox-diph-Zn(ii) complex.","Organic & biomolecular chemistry","2013","11","15","2412","2416","10.1039/c3ob40246k","","","0.71073","MoKα","","0.0937","0.0521","","","0.0676","0.0769","","","","","","0.936","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152907","21.3378","0.0019","11.5579","0.001","10.3203","0.0009","90","","100.329","0.008","90","","2503.9","0.4","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl 2,2'-(6-nitro-6-phenyl-1,4-diazepane-1,4-diyl)diacetate","","- C23 H35 N3 O6 -","- C23 H35 N3 O6 -","- C92 H140 N12 O24 -","4","1","","Parker, David; Waldron, Bradley P.","Conformational analysis and synthetic approaches to polydentate perhydro-diazepine ligands for the complexation of gallium(iii).","Organic & biomolecular chemistry","2013","11","17","2827","2838","10.1039/c3ob40287h","","","0.7107","MoKα","Mo","0.2327","0.0899","","","0.1741","0.2425","","","","","","0.944","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152908","5.7906","0.0007","9.5843","0.0011","20.978","0.002","81.025","0.01","87.158","0.01","85.46","0.01","1145.6","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","tert-Butyl 2,2'-(6-hydroxy-6-phenyl-1,4-diazepane-1,4-diyl)diacetate","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C46 H72 N4 O10 -","2","1","","Parker, David; Waldron, Bradley P.","Conformational analysis and synthetic approaches to polydentate perhydro-diazepine ligands for the complexation of gallium(iii).","Organic & biomolecular chemistry","2013","11","17","2827","2838","10.1039/c3ob40287h","","x-ray","0.71073","MoKα","K-L~3~","0.1141","0.0563","","","0.1154","0.1365","","","","","","0.994","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152909","8.6179","0.0003","7.0392","0.0003","30.2576","0.001","90","","91.859","0.003","90","","1834.55","0.12","130","0.2","130","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C88 H96 O24 -","8","2","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","1.5418","CuKα","","0.0523","0.0444","","","0.1315","0.1491","","","","","","1.118","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152910","6.9852","0.001","10.5113","0.0015","10.8498","0.0011","68.415","0.011","78.65","0.01","80.137","0.012","721.99","0.17","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O5 -","- C17 H15 N O5 -","- C34 H30 N2 O10 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0519","0.0425","","","0.108","0.1167","","","","","","1.071","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152911","8.126","0.0006","8.7446","0.0005","12.5714","0.0007","89.867","0.005","76.801","0.005","62.719","0.007","767.54","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O6 -","- C18 H15 N O6 -","- C36 H30 N2 O12 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","1.5418","CuKα","","0.0462","0.0431","","","0.1169","0.1196","","","","","","1.018","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152912","7.5474","0.0004","8.41","0.0005","13.9152","0.0008","102.757","0.005","90.682","0.004","115.31","0.005","773.07","0.09","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O6 -","- C18 H15 N O6 -","- C36 H30 N2 O12 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0564","0.0426","","","0.0982","0.1093","","","","","","1.053","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152913","5.7385","0.0004","10.3221","0.0007","13.5698","0.0009","111.374","0.006","92.266","0.005","102.902","0.006","723.1","0.09","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 Cl3 O4 -","- C13 H11 Cl3 O4 -","- C26 H22 Cl6 O8 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","1.5418","CuKα","","0.0578","0.0522","","","0.1436","0.1479","","","","","","1.079","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152914","5.8663","0.0003","8.9585","0.0006","12.2036","0.0007","95.715","0.005","103.005","0.005","104.096","0.005","597.93","0.07","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O5 S -","- C12 H14 O5 S -","- C24 H28 O10 S2 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0447","0.0372","","","0.0897","0.0957","","","","","","1.056","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152915","7.3222","0.0002","8.3972","0.0003","13.2244","0.0004","90","","92.244","0.003","90","","812.49","0.04","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 N O7 S -","- C17 H15 N O7 S -","- C34 H30 N2 O14 S2 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0428","0.0375","","","0.0894","0.0936","","","","","","1.004","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152916","9.992","0.002","10.278","0.002","17.851","0.004","90","","90","","90","","1833.3","0.7","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N2 O7 P -","- C15 H23 N2 O7 P -","- C60 H92 N8 O28 P4 -","4","1","","Fan, Weidong; Kong, Shasha; Cai, Yan; Wu, Guiping; Miao, Zhiwei","Diastereo- and enantioselective nitro-Mannich reaction of α-substituted nitroacetates to N-phosphoryl imines catalyzed by cinchona alkaloid thiourea organocatalysts.","Organic & biomolecular chemistry","2013","11","19","3223","3229","10.1039/c3ob40335a","","","0.71073","MoKα","","0.0341","0.0285","","","0.065","0.0668","","","","","","1.014","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152917","9.885","0.0008","14.8989","0.0013","16.7201","0.0015","105.671","0.001","104.415","0.001","106.917","0.002","2120.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H16 N2 O2 S -","- C27 H16 N2 O2 S -","- C108 H64 N8 O8 S4 -","4","2","","Li, Ying; Fan, Wei; Xu, Hai-Wei; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","A novel three-component [5 + 1] heterocyclization leading to 2-azafluorenone synthesis and its polyfunctionalizations.","Organic & biomolecular chemistry","2013","11","15","2417","2420","10.1039/c3ob40371h","","","0.71073","MoKα","","0.151","0.0741","","","0.1714","0.2008","","","","","","1.028","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152918","12.174","0.006","6.293","0.003","12.398","0.006","90","","98.901","0.014","90","","938.4","0.8","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","1","","Leckie, Stuart M.; Brown, T. Bruce; Pryde, David; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D.","NHC-mediated enantioselective formal [4 + 2] cycloadditions of alkylarylketenes and β,γ-unsaturated α-ketocarboxylic esters and amides.","Organic & biomolecular chemistry","2013","11","19","3230","3246","10.1039/c3ob40424b","","","1.54187","CuKα","","","0.0498","","","","0.1347","","","","","","1.065","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152919","5.827","0.0009","9.2591","0.0014","8.8013","0.0013","90","","90.3","0.003","90","","474.85","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H12 Cl F2 N O3 -","- C5 H12 Cl F2 N O3 -","- C10 H24 Cl2 F4 N2 O6 -","2","0.5","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","0.71073","MoKα","","0.0436","0.0356","","","0.0748","0.0774","","","","","","0.98","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152920","31.8762","0.0015","11.7398","0.0006","16.4074","0.0008","90","","116.395","0.002","90","","5499.9","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H67 Cl3 F4 N10 O12 -","- C43 H67 Cl3 F4 N10 O12 -","- C172 H268 Cl12 F16 N40 O48 -","4","0.5","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","1.54178","CuKα","","0.0543","0.0521","","","0.1348","0.137","","","","","","1.049","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152921","13.0719","0.0016","11.4964","0.0014","15.273","0.002","90","","102.562","0.003","90","","2240.3","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H58 N6 O8 -","- C47 H58 N6 O8 -","- C94 H116 N12 O16 -","2","1","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","0.71073","MoKα","","0.1104","0.0491","","","0.0609","0.0763","","","","","","0.691","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152922","9.014","0.0005","10.7721","0.0005","11.3234","0.0007","90","","101.481","0.006","90","","1077.5","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Muir, Calum W.; Kennedy, Alan R.; Redmond, Joanna M.; Watson, Allan J. B.","Synthesis of functionalised 4H-quinolizin-4-ones via tandem Horner-Wadsworth-Emmons olefination/cyclisation.","Organic & biomolecular chemistry","2013","11","20","3337","3340","10.1039/c3ob40578h","","","0.71073","MoKα","","0.0769","0.0475","","","0.0937","0.1061","","","","","","1.041","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152923","16.8344","0.0014","12.0895","0.0007","19.8772","0.0013","90","","117.868","0.005","90","","3576.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C156 H180 N12 O24 -","12","3","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.081","0.0588","","","0.1459","0.1605","","","","","","1.031","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152924","12.1245","0.0003","14.0624","0.0003","16.2235","0.0004","83.164","0.002","73.727","0.002","69.797","0.002","2491.16","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C104 H112 N16 O32 -","8","4","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.1043","0.0558","","","0.1256","0.151","","","","","","1.017","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152925","9.7809","0.0003","11.4606","0.0004","20.8757","0.0007","90","","90","","90","","2340.06","0.13","150","1","150","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H19 N O2 -","- C11 H19 N O2 -","- C88 H152 N8 O16 -","8","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.1395","0.0691","","","0.1759","0.2306","","","","","","1.018","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152926","8.034","0.0004","9.1042","0.0005","11.2816","0.0007","70.084","0.003","70.43","0.003","80.387","0.004","729.7","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H17 N O6 S -","- C13 H17 N O6 S -","- C26 H34 N2 O12 S2 -","2","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.106","0.058","","","0.1347","0.167","","","","","","1.052","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152927","27.07","0.004","5.0325","0.0004","10.36","0.0014","90","","103.134","0.004","90","","1374.4","0.3","150","1","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.0837","0.0499","","","0.1088","0.1259","","","","","","1.033","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152928","12.8657","0.0004","13.402","0.0005","14.1823","0.0003","90","","100.672","0.0019","90","","2403.1","0.13","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cu N2 O4 -","- C26 H28 Cu N2 O4 -","- C104 H112 Cu4 N8 O16 -","4","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.0767","0.042","","","0.0892","0.1036","","","","","","1.048","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152929","9.4026","0.0002","32.1434","0.0007","9.1405","0.0002","90","","110.9","0.001","90","","2580.78","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N3 O10 -","- C29 H25 N3 O10 -","- C116 H100 N12 O40 -","4","1","","Lee, Hogyu; Kim, Jun Hee; Lee, Won Koo; Cho, Jaeheung; Nam, Wonwoo; Lee, Jaedeok; Ha, Hyun-Joon","Highly stereoselective directed reactions and an efficient synthesis of azafuranoses from a chiral aziridine.","Organic & biomolecular chemistry","2013","11","22","3629","3634","10.1039/c3ob27390c","","","0.71073","MoKα","","0.0427","0.0357","","","0.0912","0.0964","","","","","","1.014","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152930","11.016","0.003","6.7826","0.0018","21.878","0.006","90","","101.024","0.004","90","","1604.5","0.8","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C43 H30 N4 O2 -","- C43 H30 N4 O2 -","- C86 H60 N8 O4 -","2","0.5","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.8856","synchrotron","","0.0729","0.0446","","","0.1028","0.1149","","","","","","1.033","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152931","12.801","0.004","12.814","0.004","14.782","0.005","81.419","0.005","75.271","0.005","84.415","0.005","2314.3","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H38 F12 N6 O3 -","- C51 H38 F12 N6 O3 -","- C102 H76 F24 N12 O6 -","2","1","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.71073","MoKα","","0.1336","0.0693","","","0.1809","0.213","","","","","","1.024","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152932","12.6859","0.0012","12.9511","0.0012","14.5378","0.0013","81.726","0.001","76.306","0.002","84.185","0.001","2290.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H40 F12 N6 O3 -","- C51 H40 F12 N6 O3 -","- C102 H80 F24 N12 O6 -","2","1","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.71073","MoKα","","0.0979","0.0674","","","0.1846","0.2038","","","","","","1.051","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152933","14.44","0.004","16.901","0.005","14.82","0.004","90","","117.629","0.004","90","","3204.4","1.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 Cl N5 -","- C42.9985 H27.998 Cl1.0005 N5.0005 -","- C171.994 H111.992 Cl4.002 N20.002 -","4","1","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.71073","MoKα","","0.1966","0.0733","","","0.1599","0.2002","","","","","","0.984","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152934","9.9199","0.0012","9.5808","0.0011","18.108","0.002","90","","105.506","0.003","90","","1658.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Symmetric and unsymmetric 3,3'-linked bispyrroles via ring-enlargement reactions of furan-derived donor-acceptor cyclopropanes.","Organic & biomolecular chemistry","2013","11","21","3494","3509","10.1039/c3ob40228b","","","0.71073","MoKα","","0.0643","0.0517","","","0.1384","0.147","","","","","","1.094","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152935","17.313","0.003","12.727","0.002","8.9581","0.0015","90","","93.106","0.008","90","","1971","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C104 H84 N4 O8 -","4","0.5","","Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Symmetric and unsymmetric 3,3'-linked bispyrroles via ring-enlargement reactions of furan-derived donor-acceptor cyclopropanes.","Organic & biomolecular chemistry","2013","11","21","3494","3509","10.1039/c3ob40228b","","","1.54178","CuKα","","0.0326","0.0297","","","0.0761","0.079","","","","","","1.074","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152936","15.4853","0.0008","23.2543","0.001","27.7178","0.001","90","","90","","90","","9981.2","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C70.5 H130 O42 -","- C70.5 H130 O42 -","- C282 H520 O168 -","4","1","","Jouffroy, Matthieu; Armspach, Dominique; Matt, Dominique; Toupet, Loïc","Regioselective di- and tetra-functionalisation of γ-cyclodextrin using capping methodology.","Organic & biomolecular chemistry","2013","11","22","3699","3705","10.1039/c3ob40234g","","","0.71073","MoKα","","0.2359","0.07","","","0.1668","0.2129","","","","","","0.691","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152937","10.8452","0.0019","20.44","0.003","8.5123","0.0018","90","","106.969","0.015","90","","1804.8","0.6","213.1","","213","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 Cl2 N4 O -","- C16 H20 Cl2 N4 O -","- C64 H80 Cl8 N16 O4 -","4","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0509","","","","0.1532","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152938","9.3274","0.0013","21.826","0.003","7.1188","0.0009","90","","94.249","0.011","90","","1445.3","0.3","213.1","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br2 N4 -","- C14 H14 Br2 N4 -","- C56 H56 Br8 N16 -","4","0.5","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0367","","","","0.0997","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152939","22.853","0.005","7.5764","0.0014","10.434","0.002","90","","96.625","0.017","90","","1794.5","0.6","213.1","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl2 N4 O2 -","- C16 H18 Cl2 N4 O2 -","- C64 H72 Cl8 N16 O8 -","4","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0423","","","","0.1547","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152940","11.677","0.003","11.8984","0.0014","9.9909","0.0012","103.393","0.009","108.395","0.012","89.725","0.013","1277.9","0.4","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O8 -","- C24 H24 N4 O8 -","- C48 H48 N8 O16 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0631","","","","0.2094","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152941","11.4606","0.0007","12.5728","0.0012","10.4779","0.0008","108.785","0.006","102.511","0.006","63.7","0.006","1276.53","0.19","213.1","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F4 N4 O7 -","- C24 H20 F4 N4 O7 -","- C48 H40 F8 N8 O14 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0527","","","","0.1536","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152942","11.197","0.005","11.525","0.006","10.753","0.005","116.02","0.03","90.97","0.03","73.52","0.04","1186.4","1.1","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O9 -","- C22 H18 N4 O9 -","- C44 H36 N8 O18 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0913","","","","0.3154","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152943","11.6126","0.0014","12.017","0.002","10.144","0.002","108.959","0.014","94.679","0.015","114.816","0.011","1175.4","0.4","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O8 -","- C24 H20 N4 O8 -","- C48 H40 N8 O16 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0758","","","","0.2518","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152944","11.48","0.005","11.934","0.005","10.976","0.004","109.92","0.03","102.6","0.03","111.76","0.03","1206.5","1.1","213.1","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 F4 N4 O6 -","- C24 H16 F4 N4 O6 -","- C48 H32 F8 N8 O12 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0566","","","","0.192","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152945","11.5243","0.0013","11.7284","0.0016","10.081","0.0014","108.915","0.011","105.206","0.01","105.742","0.01","1145.2","0.3","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C44 H56 N8 O12 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0423","","","","0.1569","","","","","","1.186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152946","12.054","0.003","12.563","0.004","9.714","0.003","105.63","0.02","109.56","0.02","102.83","0.02","1253.4","0.7","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 N4 O6 -","- C24 H28 N4 O6 -","- C48 H56 N8 O12 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0771","","","","0.2256","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152947","9.7411","0.0015","16.079","0.003","7.9526","0.0019","98.725","0.016","103.439","0.015","79.976","0.012","1184.9","0.4","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N4 O4 -","- C26 H32 N4 O4 -","- C52 H64 N8 O8 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0439","","","","0.1458","","","","","","0.929","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152948","9.229","0.0018","11.142","0.002","12.526","0.003","76.53","0.03","80.97","0.03","86.17","0.03","1236.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-bromo-N-(2-(3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl)-4 -chloro-6-methylphenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole -5-carboxamide","","- C24 H14 Br2 Cl2 N6 O2 -","- C24 H14 Br2 Cl2 N6 O2 -","- C48 H28 Br4 Cl4 N12 O4 -","2","1","","Li, Yuhao; Zhu, Hongjun; Chen, Kai; Liu, Rui; Khallaf, Abdalla; Zhang, Xiangning; Ni, Jueping","Synthesis, insecticidal activity, and structure-activity relationship (SAR) of anthranilic diamides analogs containing oxadiazole rings.","Organic & biomolecular chemistry","2013","11","24","3979","3988","10.1039/c3ob40345a","","","0.71073","MoKα","","0.1293","0.0657","","","0.149","0.1713","","","","","","1.001","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152949","5.7198","0.0015","9.0209","0.0019","11.863","0.003","79.85","0.019","78.78","0.02","87.139","0.019","590.9","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 O2 S4 -","- C26 H28 O2 S4 -","- C26 H28 O2 S4 -","1","0.5","","Evans, Nicholas R.; White, Andrew J. P.","(E)-5,5'-Di(thiophen-2-yl)-3,3'-bi[thiophen-3(2H)-ylidene]-2,2'-diones-from conspicuous blue impurities to ""quasi-metallic"" golden-bronze crystals.","Organic & biomolecular chemistry","2013","11","23","3871","3879","10.1039/c3ob40373d","","","1.54184","CuKα","","0.0775","0.0689","","","0.1966","0.2082","","","","","","1.074","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152950","6.3559","0.0004","8.6356","0.0003","11.6399","0.0006","78.832","0.004","77.408","0.005","87.543","0.004","611.71","0.06","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O2 S6 -","- C24 H24 O2 S6 -","- C24 H24 O2 S6 -","1","0.5","","Evans, Nicholas R.; White, Andrew J. P.","(E)-5,5'-Di(thiophen-2-yl)-3,3'-bi[thiophen-3(2H)-ylidene]-2,2'-diones-from conspicuous blue impurities to ""quasi-metallic"" golden-bronze crystals.","Organic & biomolecular chemistry","2013","11","23","3871","3879","10.1039/c3ob40373d","","","1.54184","CuKα","","0.0349","0.0306","","","0.0779","0.0801","","","","","","1.056","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152951","14.0891","0.0006","12.3368","0.0005","14.0775","0.0006","90","","117.268","0.001","90","","2174.96","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N4 O4 -","- C22 H30 N4 O4 -","- C88 H120 N16 O16 -","4","1","","Ramanathan, Mani; Tan, Chun-Jui; Chang, Wen-Jung; Tsai, Hui-Hsu Gavin; Hou, Duen-Ren","Synthesis of the decalin core of codinaeopsin via an intramolecular Diels-Alder reaction.","Organic & biomolecular chemistry","2013","11","23","3846","3854","10.1039/c3ob40480c","","","0.71073","MoKα","","0.0978","0.0482","","","0.1188","0.1413","","","","","","1.026","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152952","10.3528","0.0004","10.3325","0.0003","18.7803","0.0007","90","","90","","90","","2008.93","0.12","123","1","123","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C84 H116 N12 O12 -","4","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0259","0.0242","","","0.0609","0.0624","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152953","6.8229","0.0001","19.0016","0.0003","8.4335","0.0001","90","","92.391","0.0007","90","","1092.42","0.03","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N4 O2 -","- C26 H28 N4 O2 -","- C52 H56 N8 O4 -","2","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0239","0.0236","","","0.0604","0.0606","","","","","","1.043","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152954","7.9993","0.0002","12.1497","0.0002","21.7198","0.0004","90","","90","","90","","2110.93","0.07","123","1","123","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N3 O2 -","- C25 H29 N3 O2 -","- C100 H116 N12 O8 -","4","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0238","0.0235","","","0.0577","0.0581","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152955","22.3036","0.0006","15.0552","0.0005","31.5788","0.0009","90","","132.268","0.002","90","","7846.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 F6 N O9 P -","- C34 H54 F6 N O9 P -","- C272 H432 F48 N8 O72 P8 -","8","2","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.1306","0.0896","","","0.2622","0.3046","","","","","","1.053","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152956","12.7822","0.0007","15.427","0.0008","19.5317","0.001","90","","91.937","0.005","90","","3849.3","0.4","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H56 F6 N O9 P -","- C35 H56 F6 N O9 P -","- C140 H224 F24 N4 O36 P4 -","4","1","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.0818","0.0542","","","0.133","0.1525","","","","","","1.037","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152957","12.9587","0.0008","15.3868","0.0009","19.5493","0.0012","90","","92.997","0.006","90","","3892.7","0.4","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 F6 N O9 P -","- C36 H58 F6 N O9 P -","- C144 H232 F24 N4 O36 P4 -","4","1","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.0698","0.0442","","","0.099","0.1134","","","","","","1.026","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152958","9.3855","0.0006","21.1336","0.0013","20.3716","0.0013","90","","96.47","0.005","90","","4015","0.4","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 F6 N O9 P -","- C36 H58 F6 N O9 P -","- C144 H232 F24 N4 O36 P4 -","4","1","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.1074","0.0694","","","0.1663","0.1922","","","","","","1.033","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152959","8.7222","0.0003","9.0436","0.0003","28.4643","0.001","91.015","0.002","92.972","0.002","90.897","0.002","2241.59","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H41 F12 N9 O2 P2 Ru -","- C42 H41 F12 N9 O2 P2 Ru -","- C84 H82 F24 N18 O4 P4 Ru2 -","2","1","","Hvasanov, David; Mason, Alexander F.; Goldstein, Daniel C.; Bhadbhade, Mohan; Thordarson, Pall","Optimising the synthesis, polymer membrane encapsulation and photoreduction performance of Ru(ii)- and Ir(iii)-bis(terpyridine) cytochrome c bioconjugates.","Organic & biomolecular chemistry","2013","11","28","4602","4612","10.1039/c3ob40620b","","","0.71073","MoKα","","0.0671","0.0414","","","0.1051","0.1253","","","","","","0.83","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152960","8.633","0.0017","15.459","0.003","41.642","0.008","90","","93.22","0.03","90","","5548.7","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H54 F12 N10 O6 P2 Ru -","- C52 H54 F12 N10 O6 P2 Ru -","- C208 H216 F48 N40 O24 P8 Ru4 -","4","1","","Hvasanov, David; Mason, Alexander F.; Goldstein, Daniel C.; Bhadbhade, Mohan; Thordarson, Pall","Optimising the synthesis, polymer membrane encapsulation and photoreduction performance of Ru(ii)- and Ir(iii)-bis(terpyridine) cytochrome c bioconjugates.","Organic & biomolecular chemistry","2013","11","28","4602","4612","10.1039/c3ob40620b","","","0.71073","Synchrotron","","0.0684","0.0591","","","0.1386","0.1438","","","","","","1.16","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152961","6.4489","0.0002","9.7481","0.0003","36.086","0.001","90","","90","","90","","2268.53","0.12","150","2","150","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C20 H26.5 F3 N3 O5.25 -","- C20 H26.5 F3 N3 O5.25 -","- C80 H106 F12 N12 O21 -","4","1","","Chaubet, Guilhem; Coursindel, Thibault; Morelli, Xavier; Betzi, Stéphane; Roche, Philippe; Guari, Yannick; Lebrun, Aurélien; Toupet, Loïc; Collette, Yves; Parrot, Isabelle; Martinez, Jean","Stereoselective synthesis of original spirolactams displaying promising folded structures.","Organic & biomolecular chemistry","2013","11","28","4719","4726","10.1039/c3ob40643a","","","0.71073","MoKα","","0.0714","0.0395","","","0.0808","0.0862","","","","","","0.829","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152962","20.1602","0.0018","6.005","0.0005","17.3601","0.0015","90","","115.257","0.002","90","","1900.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br F N2 O -","- C22 H16 Br F N2 O -","- C88 H64 Br4 F4 N8 O4 -","4","1","","Xu, Hai-Wei; Fan, Wei; Li, Meng-Yuan; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","A novel domino strategy for forming poly-substituted quaternary imidazoles through a Cs2CO3-promoted aryl migration process.","Organic & biomolecular chemistry","2013","11","22","3603","3607","10.1039/c3ob40666k","","","0.71073","MoKα","","0.2596","0.1458","","","0.3382","0.3922","","","","","","1.002","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152963","17.1888","0.0015","7.7634","0.0006","19.7711","0.0018","90","","107.401","0.004","90","","2517.6","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.7107","MoKα","","0.0705","0.0475","","","0.137","0.1623","","","","","","1.029","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152964","5.4793","0.0018","20.849","0.007","17.361","0.006","90","","98.866","0.018","90","","1959.6","1.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","1","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.7107","MoKα","","0.2642","0.1245","","","0.2698","0.3401","","","","","","1.048","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152965","7.747","0.0005","26.153","0.0019","8.5985","0.0006","90","","108.664","0.003","90","","1650.5","0.2","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.71073","MoKα","","0.0644","0.0429","","","0.098","0.107","","","","","","1.071","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152966","17.1588","0.0013","7.6525","0.0007","20.1851","0.0016","90","","107.382","0.003","90","","2529.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.71073","MoKα","","0.0487","0.0354","","","0.0965","0.1057","","","","","","1.044","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152967","5.3111","0.0003","11.1077","0.0006","19.5383","0.0013","90","","96.676","0.006","90","","1144.83","0.12","190","","190","","","","101","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O3 -","- C11 H14 Cl N O3 -","- C44 H56 Cl4 N4 O12 -","4","2","","Kubelka, Tomáš; Slavětínská, Lenka; Eigner, Václav; Hocek, Michal","Synthesis of 2,6-disubstituted pyridin-3-yl C-2'-deoxyribonucleosides through chemoselective transformations of bromo-chloropyridine C-nucleosides.","Organic & biomolecular chemistry","2013","11","28","4702","4718","10.1039/c3ob40774h","","","1.54184","CuKα","","0.0383","0.0376","","0.095","0.0923","0.095","","","","","","1.0397","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152968","10.594","0.007","12.392","0.008","13.698","0.009","90","","105.41","0.02","90","","1734","2","270","2","270","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7,7-Di(benzofuran-2-yl)-6-oxa-bicyclo[3.2.1]octan-4-ol","","","- C23 H18 O4 -","- C23 H18 O4 -","- C92 H72 O16 -","4","1","","Dhiman, Seema; Ramasastry, S. S. V.","Taming furfuryl cations for the synthesis of privileged structures and novel scaffolds.","Organic & biomolecular chemistry","2013","11","26","4299","4303","10.1039/c3ob40814k","","","0.71073","MoKα","","0.154","0.0569","","","0.1176","0.1534","","","","","","0.933","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152969","33.5085","0.0013","6.1892","0.0002","8.0369","0.0003","90","","90","","90","","1666.78","0.1","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Liao, Cang-Song; Tang, Chun-Ping; Yao, Sheng; Ye, Yang","Humulane-type sesquiterpenoids from Pilea cavaleriei subsp. crenata.","Organic & biomolecular chemistry","2013","11","29","4840","4846","10.1039/c3ob40872h","","","1.54178","CuKα","","0.0526","0.0516","","","0.1472","0.1478","","","","","","1.093","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152970","9.807","0.005","13.026","0.006","14.561","0.007","90","","96.029","0.008","90","","1849.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Yang, Dingqiao; Xia, Jiuyun; Long, Yuhua; Zeng, Zhongyi; Zuo, Xiongjun; Wang, Sanyong; Li, Chunrong","Iridium-catalyzed asymmetric ring-opening of azabicyclic alkenes with alcohols.","Organic & biomolecular chemistry","2013","11","29","4871","4881","10.1039/c3ob40891d","","","0.71073","MoKα","","0.2585","0.0813","","","0.1339","0.158","","","","","","1.003","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152971","11.338","0.002","7.9222","0.0017","22.498","0.005","90","","94.389","0.004","90","","2014.9","0.7","100","","100","","","","","","","","dimethylsulfoxid","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O4 S2 -","- C21 H22 N2 O4 S2 -","- C84 H88 N8 O16 S8 -","4","1","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","0.71073","Mo-Kα","","0.0513","0.0434","","","0.1124","0.1176","","","","","","1.101","","","","has coordinates","276357","2022-06-28","17:15:13",""
"7152972","10.3396","0.0003","11.1324","0.0003","18.123","0.0005","83.171","0.002","75.762","0.002","89.106","0.002","2007.42","0.1","100","","100","","","","","","","","dimethylsulfoxid","6","P -1","-P 1","2","","","","- C21 H22 Cl N3 O S -","- C21 H22 Cl N3 O S -","- C84 H88 Cl4 N12 O4 S4 -","4","2","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","1.54178","Cu-Kα","","0.0622","0.0414","","","0.0946","0.1051","","","","","","1.024","","","","has coordinates","276357","2022-06-28","17:15:13",""
"7152973","17.059","0.002","7.2199","0.0009","17.196","0.002","90","","99.489","0.002","90","","2089","0.4","100","","100","","","","","","","","dimethylsulfoxide","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N3 O S -","- C22 H27 N3 O S -","- C88 H108 N12 O4 S4 -","4","1","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","0.71073","Mo-Kα","","0.0851","0.0491","","","0.1164","0.1354","","","","","","1.011","","","","has coordinates","276357","2022-06-28","17:15:13",""
"7152974","13.886","0.0015","9.6705","0.001","15.6885","0.0016","90","","99.869","0.002","90","","2075.5","0.4","100","","100","","","","","","","","hexane,pentane,ethylacetate","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","1","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","0.71073","Mo-Kα","","0.0659","0.0462","","","0.1233","0.1384","","","","","","1.028","","","","has coordinates,has disorder","276357","2022-06-28","17:15:13",""
"7152975","12.541","0.003","13.299","0.003","33.259","0.009","91.05","0.007","93.994","0.007","117.167","0.007","4915","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H132 N22 O10 -","- C94 H132 N22 O10 -","- C188 H264 N44 O20 -","2","1","","Bose, Purnandhu; Dutta, Ranjan; Ghosh, Pradyut","Tris(2-aminoethyl)amine based tripodal urea receptors for oxalate: encapsulation of staggered vs. planar conformers.","Organic & biomolecular chemistry","2013","11","28","4581","4584","10.1039/c3ob41071d","","","0.71073","MoKα","","0.1143","0.0965","","","0.2751","0.2884","","","","","","1.149","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152976","13.761","0.005","14.036","0.005","25.22","0.009","90","","103.68","0.01","90","","4733","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H65 F4 N8 O5 -","- C44 H65 F4 N8 O5 -","- C176 H260 F16 N32 O20 -","4","1","","Bose, Purnandhu; Dutta, Ranjan; Ghosh, Pradyut","Tris(2-aminoethyl)amine based tripodal urea receptors for oxalate: encapsulation of staggered vs. planar conformers.","Organic & biomolecular chemistry","2013","11","28","4581","4584","10.1039/c3ob41071d","","","0.71073","MoKα","","0.1026","0.0783","","","0.2411","0.275","","","","","","1.063","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152977","8.9755","0.0009","6.9472","0.0005","9.1777","0.0009","90","","90.968","0.009","90","","572.19","0.09","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H11 Br Cl N O3 -","- C10 H11 Br Cl N O3 -","- C20 H22 Br2 Cl2 N2 O6 -","2","1","","Kubelka, Tomáš; Slavětínská, Lenka; Eigner, Václav; Hocek, Michal","Synthesis of 2,6-disubstituted pyridin-3-yl C-2'-deoxyribonucleosides through chemoselective transformations of bromo-chloropyridine C-nucleosides.","Organic & biomolecular chemistry","2013","11","28","4702","4718","10.1039/c3ob40774h","","","1.54184","CuKα","","0.0375","0.0358","","0.0436","0.0423","0.0423","","","","","","1.0181","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152978","11.7359","0.0008","5.5595","0.0004","12.5993","0.0009","90","","90.641","0.002","90","","822","0.1","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 N O3 S -","- C20 H17 N O3 S -","- C40 H34 N2 O6 S2 -","2","1","","Rout, Subhrajit; Ray, Sumit K.; Singh, Vinod K.","Enantioselective Mukaiyama-Michael with 2-enoyl pyridine N-oxides catalyzed by PYBOX-DIPH-Zn(ii)-complexes at ambient temperature.","Organic & biomolecular chemistry","2013","11","27","4537","4545","10.1039/c3ob40445e","","","","","","","","","","","","","","","","","","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152979","18.7511","0.0009","23.3396","0.0011","28.1926","0.0013","90","","90","","90","","12338.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-D-Pro-Ala-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl -alanyl-leucyl-phenylalanyl-valyl-methyl ester","","- C54 H78 N8 O12 -","- C54 H78 N8 O12 -","- C432 H624 N64 O96 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.2319","0.1208","","","0.2897","0.4029","","","","","","1.041","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152980","18.88","0.003","24.579","0.004","28.78","0.005","90","","90","","90","","13355","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-D-Pro-Ac6c-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-1-amino-1-cyclohexane- 1-oyl-leucyl-phenylalanyl-valyl-methyl ester monohydrate 1,4 dioxnae solvate","","- C58 H88 N8 O12.5 -","- C58 H88 N8 O12.5 -","- C464 H704 N64 O100 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2345","0.1249","","","0.2262","0.2884","","","","","","0.961","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152981","14.4028","0.0008","18.9623","0.0011","25.4903","0.0017","90","","105.674","0.004","90","","6702.8","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D- prolyl-prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H84 N8 O11.5 -","- C56 H84 N8 O11.5 -","- C224 H336 N32 O46 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.1599","0.0959","","","0.2251","0.2737","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152982","9.922","0.003","11.229","0.004","26.423","0.009","87.146","0.006","89.44","0.006","73.282","0.007","2815.9","1.6","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-Leu-Val-Val-D-Pro-Pro-Leu-Val-Val-OMe","t-Butyloxycarbonyl-leucyl-valyl-valyl-D-prolyl-prolyl-leucyl -valyl-valyl-methyl ester","","- C48 H84 N8 O11 -","- C48 H84 N8 O11 -","- C96 H168 N16 O22 -","2","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2671","0.1043","","","0.2187","0.2588","","","","","","0.904","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152983","18.41","0.02","23.22","0.03","19.24","0.03","90","","118.036","0.017","90","","7260","17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Aib-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-alpha -aminoisobutyryl-leucyl-phenylalanyl-valyl-methyl ester","","- C57 H88 N8 O12.5 -","- C57 H88 N8 O12.5 -","- C228 H352 N32 O50 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.265","0.1012","","","0.2061","0.309","","","","","","0.865","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152984","18.095","0.0004","23.0316","0.0005","18.6368","0.0005","90","","117.471","0.002","90","","6891.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Aib-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-alpha -aminoisobutyryl-leucyl-phenylalanyl-valyl-methyl ester","","- C55 H84 N8 O11.5 -","- C55 H84 N8 O11.5 -","- C220 H336 N32 O46 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.1721","0.0915","","","0.2096","0.2644","","","","","","0.985","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152985","19.086","0.004","26.216","0.005","28.015","0.006","90","","90","","90","","14018","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Tyr-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-tyrosinyl-valyl-D-prolyl- prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H83.5 N8 O13.5 -","- C56 H83.5 N8 O13.5 -","- C448 H668 N64 O108 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2101","0.0989","","","0.2064","0.2713","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152986","14.3184","0.0008","18.9924","0.0009","25.1569","0.0014","90","","105.59","0.004","90","","6589.5","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Tyr-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-tyrosinyl-valyl-D- prolyl-prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H83 N8 O13.5 -","- C56 H83 N8 O13.5 -","- C224 H332 N32 O54 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.2475","0.1249","","","0.2929","0.3664","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152987","8.6438","0.0003","7.4285","0.0002","8.7806","0.0004","90","","94.451","0.001","90","","562.11","0.04","293","2","293","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","","Rodier, Fabien; Parrain, Jean-Luc; Chouraqui, Gaëlle; Commeiras, Laurent","First studies directed towards the diastereoselective synthesis of the BCD tricyclic core of brownin F.","Organic & biomolecular chemistry","2013","11","25","4178","4185","10.1039/c3ob40363g","","x-ray","0.71073","MoKα","","0.0569","0.0434","","","0.1256","0.1548","","","","","","1.199","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152988","13.6639","0.0004","11.0259","0.0002","11.8705","0.0002","90","","106.134","0.001","90","","1717.94","0.07","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O7 -","- C18 H22 O7 -","- C72 H88 O28 -","4","1","","Rodier, Fabien; Parrain, Jean-Luc; Chouraqui, Gaëlle; Commeiras, Laurent","First studies directed towards the diastereoselective synthesis of the BCD tricyclic core of brownin F.","Organic & biomolecular chemistry","2013","11","25","4178","4185","10.1039/c3ob40363g","","x-ray","0.71073","MoKα","","0.1234","0.0645","","","0.17","0.2227","","","","","","1.139","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152989","6.8433","0.0018","18.424","0.005","20.221","0.005","90","","90","","90","","2549.5","1.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N3 O4 -","- C24 H40 N3 O4 -","- C96 H160 N12 O16 -","4","1","","Frantz, Marie-Céline; Skoda, Erin M.; Sacher, Joshua R.; Epperly, Michael W.; Goff, Julie P.; Greenberger, Joel S.; Wipf, Peter","Synthesis of analogs of the radiation mitigator JP4-039 and visualization of BODIPY derivatives in mitochondria.","Organic & biomolecular chemistry","2013","11","25","4147","4153","10.1039/c3ob40489g","","","0.71073","MoKα","","0.0707","0.0484","","","0.1258","0.1371","","","","","","1.1","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152990","17.9524","0.0003","6.2046","0.0001","14.3442","0.0002","90","","109.148","0.001","90","","1509.37","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F3 N3 O3 -","- C15 H14 F3 N3 O3 -","- C60 H56 F12 N12 O12 -","4","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0663","0.051","","","0.1278","0.1387","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152991","7.6951","0.0003","10.1134","0.0005","10.9054","0.0005","65.724","0.002","82.426","0.002","71.772","0.002","734.82","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F3 N3 O3 -","- C16 H14 F3 N3 O3 -","- C32 H28 F6 N6 O6 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0503","0.038","","","0.1056","0.1129","","","","","","1.041","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152992","8.6849","0.0007","9.3993","0.0004","10.0441","0.0004","115.546","0.002","101.079","0.002","98.711","0.003","700.09","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cl F2 N3 O3 -","- C15 H12 Cl F2 N3 O3 -","- C30 H24 Cl2 F4 N6 O6 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0487","0.0363","","","0.0995","0.1062","","","","","","1.052","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152993","12.2256","0.0008","6.8967","0.0004","12.7724","0.0008","90","","95.776","0.003","90","","1071.45","0.12","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H13 Cl3 F7 N3 O3 -","- C18 H13 Cl3 F7 N3 O3 -","- C36 H26 Cl6 F14 N6 O6 -","2","0.5","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0658","0.0478","","","0.1365","0.1491","","","","","","1.06","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152994","8.5186","0.0003","9.1302","0.0003","19.1613","0.0006","90","","96.867","0.001","90","","1479.61","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F3 N3 O2 -","- C16 H16 F3 N3 O2 -","- C64 H64 F12 N12 O8 -","4","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0428","0.0368","","","0.1077","0.1119","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152995","7.4835","0.0003","8.592","0.0003","11.4002","0.0004","92.445","0.002","104.16","0.002","93.761","0.002","707.9","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F3 N3 O3 -","- C16 H14 F3 N3 O3 -","- C32 H28 F6 N6 O6 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0472","0.039","","","0.1002","0.1053","","","","","","1.026","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152996","19.9679","0.0008","20.1167","0.0008","16.4722","0.0007","90","","111.103","0.002","90","","6172.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl F3 N3 O2 -","- C16 H13 Cl F3 N3 O2 -","- C256 H208 Cl16 F48 N48 O32 -","16","4","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0643","0.0418","","","0.1005","0.1095","","","","","","1.035","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152997","8.6107","0.0007","11.0873","0.001","11.3982","0.001","102.613","0.005","91.556","0.006","106.607","0.005","1012.95","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 F3 N3 O2 -","- C23 H22 F3 N3 O2 -","- C46 H44 F6 N6 O4 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0856","0.0495","","","0.1179","0.138","","","","","","1.012","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152998","18.9332","0.0007","7.6655","0.0002","27.1733","0.0011","90","","90.302","0.003","90","","3943.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Br N O5 -","- C22 H16 Br N O5 -","- C176 H128 Br8 N8 O40 -","8","1","","Chen, Lingzhu; Shen, Ruwei; Wu, Luling; Huang, Xian","Pd-catalyzed reaction of aryl halides and propargyl furylmethyl ethers: a novel pathway to functionalized dihydroisobenzofurans.","Organic & biomolecular chemistry","2013","11","35","5954","5962","10.1039/c3ob27503e","","","0.71073","MoKα","","0.0573","0.0381","","","0.0841","0.0931","","","","","","1.026","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152999","8.1105","0.0016","8.8677","0.0018","14.245","0.003","98.63","0.03","96.32","0.03","110.67","0.03","932.9","0.4","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl N3 O4 -","- C20 H22 Cl N3 O4 -","- C40 H44 Cl2 N6 O8 -","2","1","","Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.","The effect of the 4-amino functionality on the photophysical and DNA binding properties of alkyl-pyridinium derived 1,8-naphthalimides.","Organic & biomolecular chemistry","2013","11","34","5642","5655","10.1039/c3ob40370j","","","0.71073","MoKα","","0.073","0.0691","","","0.1633","0.1656","","","","","","1.22","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7153000","8.8081","0.0004","9.2489","0.0004","14.9085","0.0006","85.58","0.002","89.039","0.002","62.137","0.002","1070.27","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 F6 N3 O2 P -","- C22 H22 F6 N3 O2 P -","- C44 H44 F12 N6 O4 P2 -","2","1","","Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.","The effect of the 4-amino functionality on the photophysical and DNA binding properties of alkyl-pyridinium derived 1,8-naphthalimides.","Organic & biomolecular chemistry","2013","11","34","5642","5655","10.1039/c3ob40370j","","","1.54178","CuKα","","0.0521","0.0496","","","0.1445","0.1468","","","","","","1.074","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153001","8.1508","0.0005","17.5996","0.0011","28.8453","0.0018","90","","90","","90","","4137.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N -","- C25 H27 N -","- C200 H216 N8 -","8","2","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1132","0.0541","","","0.1127","0.1371","","","","","","1.009","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153002","9.2834","0.0009","17.7729","0.0016","12.4895","0.0011","90","","96.089","0.002","90","","2049.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 F N -","- C25 H26 F N -","- C100 H104 F4 N4 -","4","1","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.0778","0.0517","","","0.1213","0.1347","","","","","","1.036","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153003","14.282","0.002","13.625","0.002","11.116","0.002","90","","98.879","0.003","90","","2137.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F N -","- C25 H26 F N -","- C100 H104 F4 N4 -","4","1","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1816","0.0896","","","0.2297","0.279","","","","","","1.04","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153004","9.746","0.002","17.508","0.003","25.813","0.007","90","","90","","90","","4404.5","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C168 H200 N8 O24 -","8","2","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1699","0.0967","","","0.2539","0.3081","","","","","","1.023","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153005","10.771","0.004","12.902","0.005","14.467","0.006","114.478","0.005","91.822","0.006","107.997","0.005","1710.3","1.2","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H44 N2 O4 -","- C41 H26 N2 O4 -","- C82 H52 N4 O8 -","2","1","","Laughlin, Brynna J.; Duniho, Tyler L.; El Homsi, Samantha J.; Levy, Benjamin E.; Deligonul, Nihal; Gaffen, Joshua R.; Protasiewicz, John D.; Tennyson, Andrew G.; Smith, Rhett C.","Comparison of 1,4-distyrylfluorene and 1,4-distyrylbenzene analogues: synthesis, structure, electrochemistry and photophysics.","Organic & biomolecular chemistry","2013","11","33","5425","5434","10.1039/c3ob40580j","","","0.71073","MoKα","","0.2965","0.0969","","","0.2391","0.349","","","","","","0.916","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153006","31.617","0.008","15.289","0.003","14.801","0.003","90","","108.297","0.006","90","","6793","3","160","2","160","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C43 H50 -","- C43 H50 -","- C344 H400 -","8","1","","Laughlin, Brynna J.; Duniho, Tyler L.; El Homsi, Samantha J.; Levy, Benjamin E.; Deligonul, Nihal; Gaffen, Joshua R.; Protasiewicz, John D.; Tennyson, Andrew G.; Smith, Rhett C.","Comparison of 1,4-distyrylfluorene and 1,4-distyrylbenzene analogues: synthesis, structure, electrochemistry and photophysics.","Organic & biomolecular chemistry","2013","11","33","5425","5434","10.1039/c3ob40580j","","","0.71073","MoKα","","0.178","0.0682","","","0.1543","0.2268","","","","","","1.002","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153007","20.601","0.003","10.491","0.0013","24.723","0.006","90","","100.277","0.016","90","","5257.5","1.6","140","2","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound cone-2","","","- C51 H76 N6 O11 -","- C51 H76 N6 O11 -","- C204 H304 N24 O44 -","4","1","","Ni, Xin-Long; Jin, Cheng-Cheng; Jiang, Xue-Kai; Takimoto, Masashi; Rahman, Shofiur; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Tri-substituted hexahomotrioxacalix[3]arene derivatives bearing imidazole units: synthesis and extraction properties for cations and chromate anions.","Organic & biomolecular chemistry","2013","11","33","5435","5442","10.1039/c3ob40601f","","","0.71073","Mo-Kα","","0.1544","0.0584","","","0.0884","0.1097","","","","","","0.886","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153008","20.7295","0.0017","12.6213","0.0004","37.718","0.003","90","","100.908","0.006","90","","9690","1.2","140","2","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound partial-cone-2","","","- C51 H68 N6 O7 -","- C51 H68 N6 O7 -","- C408 H544 N48 O56 -","8","2","","Ni, Xin-Long; Jin, Cheng-Cheng; Jiang, Xue-Kai; Takimoto, Masashi; Rahman, Shofiur; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Tri-substituted hexahomotrioxacalix[3]arene derivatives bearing imidazole units: synthesis and extraction properties for cations and chromate anions.","Organic & biomolecular chemistry","2013","11","33","5435","5442","10.1039/c3ob40601f","","","0.71073","Mo-Kα","","0.1023","0.0508","","","0.0958","0.1087","","","","","","0.969","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153009","7.4467","0.0004","12.1591","0.0006","12.8432","0.0006","84.203","0.001","76.464","0.001","84.446","0.001","1121.59","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C54 H44 N4 O10 -","2","1","","Huang, Cheng-Mei; Jiang, Heng; Wang, Ru-Zhi; Quah, Ching Kheng; Fun, Hoong-Kun; Zhang, Yan","Photocycloadditions of substituted oxazoles with isoquinoline-1,3,4-trione-chemo-, regio-, diastereoselectivities and transformation of the photocycloadducts.","Organic & biomolecular chemistry","2013","11","30","5023","5033","10.1039/c3ob40645h","","","0.71073","MoKα","","0.0736","0.0466","","","0.1389","0.168","","","","","","1.046","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153010","6.8534","0.0005","9.4451","0.0005","9.3061","0.0006","90","","94.8","0.006","90","","600.28","0.07","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H18 O4 -","- C11 H18 O4 -","- C22 H36 O8 -","2","1","","Bihelovic, Filip; Karadzic, Ivanka; Matovic, Radomir; Saicic, Radomir N.","Total synthesis and biological evaluation of (-)-atrop-abyssomicin C.","Organic & biomolecular chemistry","2013","11","33","5413","5424","10.1039/c3ob40692j","","","0.71073","MoKα","","0.0584","0.0316","","","0.054","0.0581","","","","","","0.917","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153011","9.0851","0.0018","13.86","0.003","16.244","0.003","105.68","0.03","106.12","0.03","99.11","0.03","1830.7","0.9","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 N2 S6 -","- C40 H36 N2 S6 -","- C80 H72 N4 S12 -","2","1","","Zheng, Ningjuan; Li, Hongda; Sun, Guangyan; Zhong, Keli; Yin, Bingzhu","Synthesis and properties of T-shaped organic conjugates based on 3,6-diarylpyridazine-fused tetrathiafulvalene.","Organic & biomolecular chemistry","2013","11","31","5100","5108","10.1039/c3ob40704g","","","0.71073","MoKα","","0.3287","0.1892","","","0.5106","0.553","","","","","","1.424","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153012","14.734","0.003","8.0689","0.0016","25.063","0.005","90","","105.52","0.03","90","","2871","1.1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 S6 -","- C28 H28 N2 S6 -","- C112 H112 N8 S24 -","4","1","","Zheng, Ningjuan; Li, Hongda; Sun, Guangyan; Zhong, Keli; Yin, Bingzhu","Synthesis and properties of T-shaped organic conjugates based on 3,6-diarylpyridazine-fused tetrathiafulvalene.","Organic & biomolecular chemistry","2013","11","31","5100","5108","10.1039/c3ob40704g","","","0.71073","MoKα","","0.1132","0.0562","","","0.116","0.1396","","","","","","1.026","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153013","10.9436","0.0005","11.0673","0.0006","11.6719","0.0005","94.869","0.004","113.495","0.004","104.707","0.004","1226.08","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","(3aRS,6aRS)-6a-Hydroxy-2-(4-methylphenyl)-3a-[4-(4-methylphenyl)- 2H-1,2,3-triazol-2-yl]-3,5,6,6a-tetrahydropyrrolo[3,4-b]pyrrole-4(3H)-one","","- C26 H29 N5 O4 -","- C26 H29 N5 O4 -","- C52 H58 N10 O8 -","2","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","","0.7107","MoKα","Mo","0.0574","0.0458","","","0.1136","0.1232","","","","","","1.01","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153014","22.883","0.002","17.0326","0.0017","14.7571","0.0015","90","","124.209","0.002","90","","4756.6","0.8","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3aRS,6aRS)-5-Acetyl-6a-hydroxy-2-(4-methylphenyl)-3a-[4- -(4-methylphenyl)-2H-1,2,3-triazol-2-yl]-3,5,6,6a-tetrahydropyrrolo[3,4-b] pyrrol-4(3H)-one ethyl acetate solvate (1:1)","","- C26 H27 N5 O4 -","- C26 H27 N5 O4 -","- C208 H216 N40 O32 -","8","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","x-ray","0.71073","MoKα","K-L~3~","0.0925","0.0564","","","0.1507","0.1688","","","","","","1.024","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153015","11.2557","0.0003","7.9016","0.0002","21.4436","0.0006","90","","100.571","0.01","90","","1874.78","0.11","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3aRS,6aSR)-6a-Hydroxy-2-(4-methylphenyl)-3a-[4-(4-methylphenyl)- 1,2,3-triazol-2-yl]-6,6a-dihydro-3H-furo[3,4-b]pyrrol-4(3aH)-one","","- C22 H20 N4 O3 -","- C22 H20 N4 O3 -","- C88 H80 N16 O12 -","4","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","x-ray","0.71073","MOKα","K-L~3~","0.0659","0.0462","","","0.1201","0.1358","","","","","","1.056","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153016","26.87","0.0009","14.9778","0.0005","10.1263","0.0004","90","","102.53","0.02","90","","3978.3","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(5RS,9SR)-3-(4-methylphenyl)-9-[4-(4-methylphenyl)-1,2,3-triazol-2-yl]- 1,7-dioxa-4-azaspiro[4.4]non-3-en-8-one","","- C22 H20 N4 O3 -","- C22 H20 N4 O3 -","- C176 H160 N32 O24 -","8","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","x-ray","0.71073","MOKα","K-L~3~","0.0907","0.0553","","","0.1355","0.1551","","","","","","1.03","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153017","5.6971","0.0002","11.5145","0.0003","19.4201","0.0005","90","","90","","90","","1273.94","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.0292","0.0285","","","0.081","0.0823","","","","","","1.059","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153018","12.681","0.004","18.138","0.005","9.663","0.003","90","","96.551","0.007","90","","2208.1","1.2","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H28 O10 -","- C20 H28 O10 -","- C80 H112 O40 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.0565","0.0411","","","0.1033","0.1117","","","","","","1.031","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153019","10.298","0.004","11.735","0.005","22.178","0.009","90","","90","","90","","2680.1","1.9","110","2","110","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C27 H29 O8 -","- C27 H29 O8 -","- C108 H116 O32 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.1305","0.115","","","0.2318","0.2409","","","","","","1.196","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153020","12.3101","0.0017","8.8146","0.0013","14.675","0.002","90","","97.891","0.003","90","","1577.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl N2 O3 -","- C19 H13 Cl N2 O3 -","- C76 H52 Cl4 N8 O12 -","4","1","","Xia, Likai; Lee, Yong Rok","Efficient one-step synthesis of pyrrolo[3,4-c]quinoline-1,3-dione derivatives by organocatalytic cascade reactions of isatins and β-ketoamides.","Organic & biomolecular chemistry","2013","11","32","5254","5263","10.1039/c3ob40791h","","","0.71073","MoKα","","0.1194","0.0498","","","0.1131","0.1728","","","","","","1.079","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153021","8.6842","0.0005","8.7472","0.0006","18.5924","0.0013","90","","93.142","0.006","90","","1410.2","0.16","150","0.14","150","0.14","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","","","- C26 H41 N O5 Si -","- C26 H41 N O5 Si -","- C52 H82 N2 O10 Si2 -","2","1","","Paños, Julián; Díaz-Oltra, Santiago; Sánchez-Peris, María; García-Pla, Jorge; Murga, Juan; Falomir, Eva; Carda, Miguel; Redondo-Horcajo, Mariano; Díaz, J Fernando; Barasoain, Isabel; Marco, J. Alberto","Synthesis and biological evaluation of truncated α-tubulin-binding pironetin analogues lacking alkyl pendants in the side chain or the dihydropyrone ring.","Organic & biomolecular chemistry","2013","11","35","5809","5826","10.1039/c3ob40854j","","","1.54184","CuKα","","0.0862","0.0757","","","0.2339","0.2405","","","","","","1.147","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153022","16.8022","0.0002","14.5818","0.0002","19.7887","0.0003","90","","93.414","0.001","90","","4839.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H18 Br N O3 -","- C30 H18 Br N O3 -","- C240 H144 Br8 N8 O24 -","8","2","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.1141","0.0608","","","0.1638","0.2162","","","","","","0.796","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153023","8.8458","0.0002","27.2982","0.0006","15.4284","0.0003","90","","92.079","0.001","90","","3723.11","0.14","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Br Cl3 N O3 P -","- C36 H42 Br Cl3 N O3 P -","- C144 H168 Br4 Cl12 N4 O12 P4 -","4","1","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.1318","0.0712","","","0.1846","0.2346","","","","","","1.143","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153024","12.4196","0.0015","13.915","0.002","17.027","0.002","67.414","0.012","89.449","0.009","67.009","0.008","2466.7","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Br N O3 -","- C28 H22 Br N O3 -","- C112 H88 Br4 N4 O12 -","4","2","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.2041","0.0821","","","0.2058","0.2642","","","","","","0.975","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153025","16.6326","0.0007","18.9665","0.0008","9.2524","0.0004","90","","97.506","0.002","90","","2893.8","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Br2 O4 -","- C36 H22 Br2 O4 -","- C144 H88 Br8 O16 -","4","1","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.0803","0.0428","","","0.0825","0.0977","","","","","","1.005","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153026","15.05","0.005","8.96","0.003","21.187","0.007","90","","90","","90","","2857","1.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Annulated Coumarin","5,6-dihydro-4H-benzo[f]naptho[2,1-c]chromen-4-one","","- C21 H14 O2 -","- C21 H14 O2 -","- C168 H112 O16 -","8","1","","Goel, Atul; Taneja, Gaurav; Raghuvanshi, Ashutosh; Kant, Ruchir; Maulik, Prakas R.","Diversity-oriented general protocol for the synthesis of privileged oxygen scaffolds: pyrones, coumarins, benzocoumarins and naphthocoumarins.","Organic & biomolecular chemistry","2013","11","32","5239","5253","10.1039/c3ob40859k","","","0.71073","MoKα","","0.106","0.063","","","0.1501","0.204","","","","","","1.083","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153027","20.542","0.002","7.512","0.001","18.182","0.002","90","","109.593","0.001","90","","2643.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Benzofuran","3-amino-6,7-dichloro-5-hydroxybenzofuran-2,4-dicarbonitrile","","- C12 H6 Cl2 N4 O2 -","- C12 H6 Cl2 N4 O2 -","- C96 H48 Cl16 N32 O16 -","8","1","","Goel, Atul; Taneja, Gaurav; Raghuvanshi, Ashutosh; Kant, Ruchir; Maulik, Prakas R.","Diversity-oriented general protocol for the synthesis of privileged oxygen scaffolds: pyrones, coumarins, benzocoumarins and naphthocoumarins.","Organic & biomolecular chemistry","2013","11","32","5239","5253","10.1039/c3ob40859k","","","0.7107","MoKα","","0.1133","0.0594","","","0.1331","0.166","","","","","","0.993","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153028","6.8659","0.0002","18.4844","0.0005","11.9993","0.0004","90","","103.118","0.003","90","","1483.12","0.08","190","","190","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-phenyl-7-(phenylthio)-5H-pyrrolo[3,2-d]pyrimidine","","- C18 H13 N3 S -","- C18 H13 N3 S -","- C72 H52 N12 S4 -","4","1","","Klečka, Martin; Pohl, Radek; Cejka, Jan; Hocek, Michal","Direct C-H sulfenylation of purines and deazapurines.","Organic & biomolecular chemistry","2013","11","31","5189","5193","10.1039/c3ob40881g","","x-ray","1.54184","CuKα","","0.0408","0.0369","","0.0484","0.0467","0.0467","","","","","","1.0035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153029","5.9059","0.0003","13.568","0.0005","24.5309","0.0009","90","","91.499","0.004","90","","1965.02","0.14","190","","190","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-benzyl-4-phenyl-5-(phenylthio)-7H-pyrrolo[2,3-d]pyrimidine","","- C25 H19 N3 S -","- C25 H19 N3 S -","- C100 H76 N12 S4 -","4","1","","Klečka, Martin; Pohl, Radek; Cejka, Jan; Hocek, Michal","Direct C-H sulfenylation of purines and deazapurines.","Organic & biomolecular chemistry","2013","11","31","5189","5193","10.1039/c3ob40881g","","x-ray","1.54184","CuKα","","0.0463","0.0392","","0.0557","0.0502","0.0502","","","","","","1.0885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153030","5.1378","0.0003","6.7876","0.0004","32.299","0.0017","90","","90","","90","","1126.37","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","compound 5b","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Asta, Chimène; Schmidt, Dietmar; Conrad, Jürgen; Frey, Wolfgang; Beifuss, Uwe","Combination of enzyme- and Lewis acid-catalyzed reactions: a new method for the synthesis of 6,7-dihydrobenzofuran-4(5H)-ones starting from 2,5-dimethylfuran and 1,3-cyclohexanediones.","Organic & biomolecular chemistry","2013","11","34","5692","5701","10.1039/c3ob40926k","","","0.71073","MoKα","","0.0651","0.0521","","","0.1061","0.1102","","","","","","1.088","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153031","22.603","0.004","11.0296","0.0019","10.1777","0.0017","90","","90","","90","","2537.3","0.8","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","compound 5d","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","2","","Asta, Chimène; Schmidt, Dietmar; Conrad, Jürgen; Frey, Wolfgang; Beifuss, Uwe","Combination of enzyme- and Lewis acid-catalyzed reactions: a new method for the synthesis of 6,7-dihydrobenzofuran-4(5H)-ones starting from 2,5-dimethylfuran and 1,3-cyclohexanediones.","Organic & biomolecular chemistry","2013","11","34","5692","5701","10.1039/c3ob40926k","","","0.71073","MoKα","","0.1193","0.0606","","","0.1159","0.1283","","","","","","1.048","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153032","14.554","0.003","12.849","0.003","8.6466","0.0017","90","","90","","90","","1617","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H18 N O5 P -","- C15 H18 N O5 P -","- C60 H72 N4 O20 P4 -","4","0.5","","Cai, Yan; Lu, Yuchen; Yu, Chengbin; Lyu, Hairong; Miao, Zhiwei","Combined C-H functionalization/O-H insertion reaction to form tertiary β-alkoxy substituted β-aminophosphonates catalyzed by [Cu(MeCN)4]PF6.","Organic & biomolecular chemistry","2013","11","33","5491","5499","10.1039/c3ob40941d","","","0.71073","MoKα","","0.0616","0.0501","","","0.145","0.157","","","","","","1.054","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153033","11.2588","0.0001","11.763","0.0002","12.8358","0.0002","90","","90","","90","","1699.94","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C84 H100 N12 O8 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","1.54178","CuKα","","0.0344","0.0329","","","0.0849","0.0861","","","","","","1.068","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153034","8.047","0.0017","10.678","0.003","22.331","0.005","90","","90","","90","","1918.8","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O3 -","- C22 H29 N3 O3 -","- C88 H116 N12 O12 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","0.71073","MoKα","","0.0727","0.0628","","","0.1275","0.1319","","","","","","1.131","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153035","10.6567","0.0003","13.9156","0.0004","24.7451","0.0006","90","","90","","90","","3669.56","0.17","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 N3 O6 S -","- C41 H49 N3 O6 S -","- C164 H196 N12 O24 S4 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","1.54178","CuKα","","0.0336","0.0332","","","0.0921","0.0925","","","","","","1.045","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153036","38.342","0.003","38.342","0.003","5.7826","0.0004","90","","90","","90","","8501.1","1.1","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C400 H432 N16 O32 -","16","1","","Ye, Juntao; Li, Suhua; Ma, Shengming","Gorlos-phos: addressing the stereoselectivity in palladium-catalyzed exo-mode cyclization of allenes with a nucleophilic functionality.","Organic & biomolecular chemistry","2013","11","32","5370","5373","10.1039/c3ob40983j","","","0.71073","MoKα","","0.0705","0.0447","","","0.0868","0.0966","","","","","","1.077","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153037","13.9084","0.0018","5.9803","0.0008","22.981","0.003","90","","105.356","0.004","90","","1843.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Ye, Juntao; Li, Suhua; Ma, Shengming","Gorlos-phos: addressing the stereoselectivity in palladium-catalyzed exo-mode cyclization of allenes with a nucleophilic functionality.","Organic & biomolecular chemistry","2013","11","32","5370","5373","10.1039/c3ob40983j","","","0.71073","MoKα","","0.1043","0.0685","","","0.205","0.2462","","","","","","1.053","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153038","7.907","0.008","8.093","0.008","12.534","0.013","90","","101.397","0.009","90","","786.3","1.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Br N O5 -","- C16 H16 Br N O5 -","- C32 H32 Br2 N2 O10 -","2","1","","Liu, Luping; Zhang, Dekui; Zhang, Panpan; Jiang, Xianxing; Wang, Rui","Catalytic highly asymmetric 1,5(6)-selective cyclization reaction of α-hydroxyimino cyclic ketones: direct approach to ring-fused hydroxyimino dihydropyrans.","Organic & biomolecular chemistry","2013","11","32","5222","5225","10.1039/c3ob41001c","","","0.71073","MoKα","","0.0783","0.0489","","","0.1106","0.1218","","","","","","1.009","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153039","5.8473","0.0006","36.267","0.004","20.608","0.002","90","","92.22","0.004","90","","4366.9","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H23.5 Cl1.5 N5 -","- C24.5 H23.5 Cl1.5 N5 -","- C196 H188 Cl12 N40 -","8","2","","Feula, Antonio; Dhillon, Sundeep S.; Byravan, Rama; Sangha, Mandeep; Ebanks, Ronald; Hama Salih, Mariwan A.; Spencer, Neil; Male, Louise; Magyary, Istvan; Deng, Wei-Ping; Müller, Ferenc; Fossey, John S.","Synthesis of azetidines and pyrrolidines via iodocyclisation of homoallyl amines and exploration of activity in a zebrafish embryo assay.","Organic & biomolecular chemistry","2013","11","31","5083","5093","10.1039/c3ob41007b","","","0.71073","MoKα","","0.2538","0.138","","","0.2068","0.2569","","","","","","1.185","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153040","9.355","0.004","6.959","0.003","25.667","0.01","90","","94.226","0.006","90","","1666.4","1.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O4 -","- C20 H17 Cl O4 -","- C80 H68 Cl4 O16 -","4","1","","Wang, Ze-Dong; Wang, Feng; Li, Xin; Cheng, Jin-Pei","N-heterocyclic carbene catalyzed annulation of benzofuran-2,3-diones and enals: a concise synthesis of spiro-bis-lactone.","Organic & biomolecular chemistry","2013","11","34","5634","5641","10.1039/c3ob41028e","","","0.71073","MoKα","","0.0628","0.0417","","","0.0964","0.1092","","","","","","0.991","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153041","11.874","0.006","14.457","0.007","10.519","0.005","90","","108.21","0.008","90","","1715.3","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O4 -","- C20 H17 Cl O4 -","- C80 H68 Cl4 O16 -","4","1","","Wang, Ze-Dong; Wang, Feng; Li, Xin; Cheng, Jin-Pei","N-heterocyclic carbene catalyzed annulation of benzofuran-2,3-diones and enals: a concise synthesis of spiro-bis-lactone.","Organic & biomolecular chemistry","2013","11","34","5634","5641","10.1039/c3ob41028e","","","0.71073","MoKα","","0.0425","0.0317","","","0.0772","0.0792","","","","","","1.057","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153042","11.9471","0.0004","9.6297","0.0003","18.1609","0.0006","90","","93.81","0.003","90","","2084.74","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R/S,5R/S)-methyl 3-acetamido-5-(dimethylcarbamoyl)-6-methyl-2-(phenylcarbamoyl)- 2,3,4,5-tetrahydropyridazine-3-carboxylate","","- C19 H25 N5 O5 -","- C19 H25 N5 O5 -","- C76 H100 N20 O20 -","4","1","","Giorgi, Gianluca; Favi, Gianfranco; Attanasi, Orazio A.","Insights into diastereoisomeric characterization of tetrahydropyridazine amino acid derivatives: crystal structures and gas phase ion chemistry.","Organic & biomolecular chemistry","2013","11","30","5006","5011","10.1039/c3ob41034j","","","0.71073","MoKα","","0.095","0.0424","","","0.0874","0.0961","","","","","","0.813","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153043","16.0057","0.0007","9.0537","0.0003","18.9373","0.0007","90","","111.479","0.004","90","","2553.64","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R/S,5S/R)-methyl 3-acetamido-5-(dimethylcarbamoyl)-6-methyl-2-(phenylcarbamoyl)- 2,3,4,5-tetrahydropyridazine-3-carboxylate compound with ethyl acetate","","- C23 H33 N5 O7 -","- C23 H33 N5 O7 -","- C92 H132 N20 O28 -","4","1","","Giorgi, Gianluca; Favi, Gianfranco; Attanasi, Orazio A.","Insights into diastereoisomeric characterization of tetrahydropyridazine amino acid derivatives: crystal structures and gas phase ion chemistry.","Organic & biomolecular chemistry","2013","11","30","5006","5011","10.1039/c3ob41034j","","","0.71073","MoKα","","0.0991","0.0434","","","0.0931","0.1028","","","","","","0.809","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153044","10.3509","0.0006","11.7545","0.0007","15.0554","0.0009","90","","90","","90","","1831.79","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C80 H88 O12 S4 -","4","1","","Aitken, Harry R. M.; Furkert, Daniel P.; Hubert, Jonathan G.; Wood, James M.; Brimble, Margaret A.","Enantioselective access to benzannulated spiroketals using a chiral sulfoxide auxiliary.","Organic & biomolecular chemistry","2013","11","31","5147","5155","10.1039/c3ob41065j","","","0.71073","MoKα","","0.0483","0.0378","","","0.0793","0.084","","","","","","1.037","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153045","8.5909","0.0004","10.8998","0.0005","9.6997","0.0004","90","","104.215","0.003","90","","880.46","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C40 H44 O6 S2 -","2","1","","Aitken, Harry R. M.; Furkert, Daniel P.; Hubert, Jonathan G.; Wood, James M.; Brimble, Margaret A.","Enantioselective access to benzannulated spiroketals using a chiral sulfoxide auxiliary.","Organic & biomolecular chemistry","2013","11","31","5147","5155","10.1039/c3ob41065j","","","0.71073","MoKα","","0.0408","0.0355","","","0.0785","0.0818","","","","","","1.038","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153046","25.558","0.003","4.5239","0.0005","23.971","0.003","90","","120.647","0.002","90","","2384.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 N2 O -","- C16 H9 N2 O -","- C128 H72 N16 O8 -","8","1","","Nakhi, Ali; Rahman, Md Shafiqur; Seerapu, Guru Pavan Kumar; Banote, Rakesh Kumar; Kumar, Kummari Lalith; Kulkarni, Pushkar; Haldar, Devyani; Pal, Manojit","Transition metal free hydrolysis/cyclization strategy in a single pot: synthesis of fused furo N-heterocycles of pharmacological interest.","Organic & biomolecular chemistry","2013","11","30","4930","4934","10.1039/c3ob41069b","","","0.71073","MoKα","","0.0727","0.0545","","","0.1424","0.1561","","","","","","1.056","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153047","11.6871","0.0005","12.8055","0.0007","14.7108","0.0006","94.246","0.004","91.367","0.003","113.935","0.005","2003.25","0.18","119.8","","119.8","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H51 N O6 -","- C46 H51 N O6 -","- C92 H102 N2 O12 -","2","1","","Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Meta-arylation of calixarenes using organomercurial chemistry.","Organic & biomolecular chemistry","2013","11","33","5528","5534","10.1039/c3ob41085d","","x-ray","1.5418","CuKα","","0.0448","0.0372","","","0.1017","0.1076","","","","1.74","1.74","1.68","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153048","13.4473","0.0002","30.0322","0.0005","16.7673","0.0003","90","","92.7714","0.0014","90","","6763.59","0.19","190","","190","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C80 H94 O8 -","- C80 H94 O8 -","- C320 H376 O32 -","4","1","","Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Meta-arylation of calixarenes using organomercurial chemistry.","Organic & biomolecular chemistry","2013","11","33","5528","5534","10.1039/c3ob41085d","","","1.54184","CuKα","","0.066","0.0552","","0.1007","0.0948","0.1007","","","","","","0.9574","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153049","38.668","0.001","9.91309","0.00018","38.2857","0.0009","90","","99.843","0.002","90","","14459.6","0.6","170","","170","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 Cl Hg O4 -","- C40 H47 Cl Hg O4 -","- C640 H752 Cl16 Hg16 O64 -","16","2","","Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Meta-arylation of calixarenes using organomercurial chemistry.","Organic & biomolecular chemistry","2013","11","33","5528","5534","10.1039/c3ob41085d","","","1.5418","CuKα","","0.043","0.0407","","0.0944","0.0899","0.0944","","","","","","1.0165","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153050","28.7348","0.0014","5.8963","0.0002","23.3995","0.0008","90","","90.806","0.003","90","","3964.2","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C208 H160 N32 -","16","4","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","1.54184","CuKα","","0.1073","0.0784","","","0.2092","0.2275","","","","","","1.048","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153051","6.8922","0.0004","9.1653","0.0006","10.6422","0.0006","74.573","0.005","74.634","0.005","71.501","0.005","602.44","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","0.71073","MoKα","","0.0446","0.035","","","0.0948","0.0981","","","","","","1.092","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153052","11.2615","0.0009","7.2071","0.0006","16.8121","0.0015","90","","101.751","0.008","90","","1335.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl N2 O2 -","- C13 H15 Cl N2 O2 -","- C52 H60 Cl4 N8 O8 -","4","1","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","0.71073","MoKα","","0.0643","0.0393","","","0.0958","0.1002","","","","","","1.033","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153053","9.2369","0.0003","9.8428","0.0002","14.2265","0.0004","90","","103.321","0.003","90","","1258.63","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 I O2 -","- C15 H9 I O2 -","- C60 H36 I4 O8 -","4","1","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","0.71073","MoKα","","0.0194","0.0166","","","0.0396","0.0403","","","","","","1.048","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153054","8.228","0.0016","8.35","0.0017","15.938","0.003","90","","99.9","0.03","90","","1078.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N4 O6 S -","- C21 H24 N4 O6 S -","- C42 H48 N8 O12 S2 -","2","1","","Kim, Ki Tae; Kim, Hyun Woo; Moon, Dohyun; Rhee, Young Min; Kim, Byeang Hyean","(DNS)C: a fluorescent, environmentally sensitive cytidine derivative for the direct detection of GGG triad sequences.","Organic & biomolecular chemistry","2013","11","34","5605","5614","10.1039/c3ob41222a","","","0.72999","synchrotron","","0.0434","0.0385","","","0.1072","0.1091","","","","","","1.061","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153055","18.6107","0.0004","5.73338","0.00013","19.3766","0.0004","90","","113.408","0.008","90","","1897.37","0.13","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 Br O4 -","- C20 H23 Br O4 -","- C80 H92 Br4 O16 -","4","2","","Krishnamurthi, Janagiraman; Nambu, Hisanori; Takeda, Koji; Anada, Masahiro; Yamano, Akihito; Hashimoto, Shunichi","Enantioselective cycloaddition of carbonyl ylides with arylallenes using Rh2(S-TCPTTL)4.","Organic & biomolecular chemistry","2013","11","32","5374","5382","10.1039/c3ob41236a","","","1.54187","CuKα","","","0.0266","","","","0.0729","","","","","","1.122","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153056","11.8031","0.0006","12.1213","0.0006","14.0357","0.0007","91.493","0.001","113.899","0.001","111.558","0.001","1670.96","0.15","171","2","171","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 Cu F6 I N3 P -","- C35 H32 Cu F6 I N3 P -","- C70 H64 Cu2 F12 I2 N6 P2 -","2","1","","Saha, Manik Lal; Bats, Jan W.; Schmittel, Michael","Merging strong and weak coordination motifs in the integrative self-sorting of a 5-component trapezoid and scalene triangle.","Organic & biomolecular chemistry","2013","11","34","5592","5595","10.1039/c3ob41258j","","","0.71073","MoKα","","0.0431","0.0314","","","0.071","0.0754","","","","","","1.027","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153057","8.2718","0.0007","13.6799","0.0013","23.831","0.002","90","","90","","90","","2696.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 F2 N O7 S2 -","- C27 H25 F2 N O7 S2 -","- C108 H100 F8 N4 O28 S8 -","4","1","","Dou, Xiaowei; Lu, Yixin","Enantioselective conjugate addition of 3-fluoro-oxindoles to vinyl sulfone: an organocatalytic access to chiral 3-fluoro-3-substituted oxindoles.","Organic & biomolecular chemistry","2013","11","32","5217","5221","10.1039/c3ob41267a","","","0.71073","MoKα","","0.0458","0.0402","","","0.0883","0.091","","","","","","1.028","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153058","8.4338","0.0001","15.4596","0.0003","15.6357","0.0003","90","","90","","90","","2038.63","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","Mattson 1860","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C96 H88 N8 O20 -","4","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0469","0.0348","","","0.0715","0.0761","","","","","","1.066","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153059","8.2132","0.0001","8.738","0.0001","15.5338","0.0003","84.567","0.001","79.398","0.001","67.733","0.001","1013.69","0.03","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","Mattson 1934","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C48 H44 N4 O10 -","2","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0613","0.0419","","","0.1054","0.1171","","","","","","1.047","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153060","7.3566","0.0002","8.0059","0.0002","9.006","0.0002","65.624","0.001","71.772","0.002","81.292","0.002","458.74","0.02","150","2","150","2","","","","","","","synthesis as described","4","P 1","P 1","1","Mattson 1932","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","1","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0428","0.0367","","","0.0824","0.0863","","","","","","1.056","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153061","8.5784","0.00001","15.2797","0.0002","16.5909","0.0002","90","","90","","90","","2174.66","0.04","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","Mattson 1956","","","- C24 H21 Cl N2 O5 -","- C24 H21 Cl N2 O5 -","- C96 H84 Cl4 N8 O20 -","4","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0446","0.035","","","0.079","0.0838","","","","","","1.051","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153064","15.8817","0.0011","5.825","0.0004","16.5782","0.0012","90","","117.321","0.002","90","","1362.58","0.17","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl N3 O -","- C16 H12 Cl N3 O -","- C64 H48 Cl4 N12 O4 -","4","1","","Dong, Jing-Jun; Li, Qing-Shan; Wang, Shu-Fu; Li, Cui-Yun; Zhao, Xin; Qiu, Han-Yue; Zhao, Meng-Yue; Zhu, Hai-Liang","Synthesis, biological evaluation and molecular docking of novel 5-phenyl-1H-pyrazol derivatives as potential BRAF(V600E) inhibitors.","Organic & biomolecular chemistry","2013","11","37","6328","6337","10.1039/c3ob40776d","","","0.71073","MoKα","","0.0629","0.0391","","","0.0959","0.1063","","","","","","1.033","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153065","10.1259","0.0011","11.1866","0.0013","15.4918","0.0017","102.087","0.002","91.163","0.002","105.935","0.002","1644.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 Cl12 N8 S2 -","- C66 H42 Cl12 N8 S2 -","- C66 H42 Cl12 N8 S2 -","1","0.5","","Ye, Qun; Chang, Jingjing; Huang, Kuo-Wei; Dai, Gaole; Chi, Chunyan","TCNQ-embedded heptacene and nonacene: synthesis, characterization and physical properties.","Organic & biomolecular chemistry","2013","11","37","6285","6291","10.1039/c3ob40796a","","","0.71073","MoKα","","0.0735","0.0535","","","0.1501","0.1632","","","","","","1.057","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153066","13.0937","0.0014","15.1874","0.0017","30.448","0.003","90","","98.319","0.003","90","","5991.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H30.5 Cl7.5 F12 N4 -","- C66.5 H30.5 Cl7.5 F12 N4 -","- C266 H122 Cl30 F48 N16 -","4","1","","Ye, Qun; Chang, Jingjing; Huang, Kuo-Wei; Dai, Gaole; Chi, Chunyan","TCNQ-embedded heptacene and nonacene: synthesis, characterization and physical properties.","Organic & biomolecular chemistry","2013","11","37","6285","6291","10.1039/c3ob40796a","","","0.71073","MoKα","","0.0973","0.0633","","","0.1644","0.185","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153067","9.401","0.005","10.6","0.006","10.8","0.006","107.79","0.006","95.207","0.007","106.667","0.007","962.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Br N0 O2 -","- C25 H17 Br O2 -","- C50 H34 Br2 O4 -","2","1","","Rao, Yin; Yin, Guodong","AgOTf-catalyzed reactions of naphthols/substituted phenols with 2-hydroxychalcones: facile synthesis of di-aromatic ring-fused [3.3.1]bicyclic compounds.","Organic & biomolecular chemistry","2013","11","36","6029","6035","10.1039/c3ob40860d","","","0.71073","MoKα","","0.0603","0.0472","","","0.1276","0.1352","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153068","13.5092","0.0005","8.1592","0.0003","19.6436","0.0008","90","","90","","90","","2165.2","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","t2-132","","","- C25 H22 F N5 O2 -","- C25 H22 F N5 O2 -","- C100 H88 F4 N20 O8 -","4","1","","Gunawan, Steven; Hulme, Christopher","Bifunctional building blocks in the Ugi-azide condensation reaction: a general strategy toward exploration of new molecular diversity.","Organic & biomolecular chemistry","2013","11","36","6036","6046","10.1039/c3ob40900g","","","0.71073","MoKα","","0.0431","0.0356","","","0.0835","0.0879","","","","","","1.024","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153069","11.6513","0.0011","10.1496","0.0009","14.4797","0.0014","90","","102.588","0.002","90","","1671.2","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C84 H72 O20 -","4","1","","Xia, Likai; Lee, Yong Rok","A novel and efficient synthesis of diverse dihydronaphtho[1,2-b]furans using the ceric ammonium nitrate-catalyzed formal [3 + 2] cycloaddition of 1,4-naphthoquinones to olefins and its application to furomollugin.","Organic & biomolecular chemistry","2013","11","36","6097","6107","10.1039/c3ob40977e","","","0.71073","MoKα","","0.1596","0.0622","","","0.1185","0.1716","","","","","","0.97","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153070","18.757","0.002","10.025","0.0013","19.754","0.003","90","","114.543","0.003","90","","3378.9","0.8","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C168 H144 O40 -","8","1","","Xia, Likai; Lee, Yong Rok","A novel and efficient synthesis of diverse dihydronaphtho[1,2-b]furans using the ceric ammonium nitrate-catalyzed formal [3 + 2] cycloaddition of 1,4-naphthoquinones to olefins and its application to furomollugin.","Organic & biomolecular chemistry","2013","11","36","6097","6107","10.1039/c3ob40977e","","","0.71073","MoKα","","0.1104","0.0501","","","0.1092","0.1676","","","","","","1.018","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153071","9.5013","0.0005","10.0576","0.0005","10.2659","0.0005","63.494","0.002","85.295","0.003","77.804","0.003","858","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Br N4 S -","- C19 H15 Br N4 S -","- C38 H30 Br2 N8 S2 -","2","1","","Lukmantara, Adeline Y.; Kalinowski, Danuta S.; Kumar, Naresh; Richardson, Des R.","Structure-activity studies of 4-phenyl-substituted 2'-benzoylpyridine thiosemicarbazones with potent and selective anti-tumour activity.","Organic & biomolecular chemistry","2013","11","37","6414","6425","10.1039/c3ob41109e","","","0.71073","MoKα","","0.0321","0.0247","","","0.0588","0.0621","","","","","","1.064","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153072","9.5261","0.0012","9.785","0.0011","11.566","0.002","101.101","0.006","106.02","0.006","115.357","0.004","874.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 S -","- C20 H18 N4 S -","- C40 H36 N8 S2 -","2","1","","Lukmantara, Adeline Y.; Kalinowski, Danuta S.; Kumar, Naresh; Richardson, Des R.","Structure-activity studies of 4-phenyl-substituted 2'-benzoylpyridine thiosemicarbazones with potent and selective anti-tumour activity.","Organic & biomolecular chemistry","2013","11","37","6414","6425","10.1039/c3ob41109e","","","0.71073","MoKα","","0.0808","0.0419","","","0.0832","0.096","","","","","","1.026","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153073","8.574","0.004","17.686","0.005","18.241","0.006","65.791","0.016","85.89","0.02","83.18","0.02","2504.1","1.6","100","2","100","2","","","","","","","Adolf Gogoll","5","P -1","-P 1","2","","","","- C53.15 H62.3 N2 O8.05 S2 -","- C53.15 H62.3 N2 O8.05 S2 -","- C106.3 H124.6 N4 O16.1 S4 -","2","1","","Norrehed, Sara; Erdélyi, Máté; Light, Mark E.; Gogoll, Adolf","Protonation-triggered conformational modulation of an N,N'-dialkylbispidine: first observation of the elusive boat-boat conformer.","Organic & biomolecular chemistry","2013","11","37","6292","6299","10.1039/c3ob41122b","","","0.71075","MoKα","","0.2367","0.156","","","0.3119","0.3626","","","","","","1.149","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153074","9.0618","0.0012","11.3801","0.0015","12.3091","0.0016","73.216","0.002","85.2965","0.0019","67.465","0.002","1121.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","","Song, Chuanling; Dong, Shuli; Feng, Lei; Peng, Xianglong; Wang, Mingchao; Wang, Jianwu; Xu, Zhenghu","Modular synthesis of all-substituted furans through oxidative carbonylation of cyclopropenes with tandem metal relay catalysis.","Organic & biomolecular chemistry","2013","11","37","6258","6262","10.1039/c3ob41155a","","","0.71073","MoKα","","0.0568","0.0396","","","0.0899","0.1012","","","","","","1.016","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153075","11.098","0.0005","6.7887","0.0004","15.8764","0.001","90","","98.064","0.005","90","","1184.32","0.12","296","1","296","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H24 N2 O S2 -","- C24 H24 N2 O S2 -","- C48 H48 N4 O2 S4 -","2","0.5","","Marco, A Belén; Andreu, Raquel; Franco, Santiago; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.; López Navarrete, Juan T; Casado, Juan","Push-pull systems bearing a quinoid/aromatic thieno[3,2-b]thiophene moiety: synthesis, ground state polarization and second-order nonlinear properties.","Organic & biomolecular chemistry","2013","11","37","6338","6349","10.1039/c3ob41278d","","","0.71073","MoKα","","0.0892","0.0552","","","0.1259","0.1458","","","","","","1.011","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153076","8.3982","0.0004","25.3341","0.0019","17.1667","0.0011","90","","97.599","0.005","90","","3620.3","0.4","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 S2 -","- C20 H17 N3 S2 -","- C160 H136 N24 S16 -","8","2","","Marco, A Belén; Andreu, Raquel; Franco, Santiago; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.; López Navarrete, Juan T; Casado, Juan","Push-pull systems bearing a quinoid/aromatic thieno[3,2-b]thiophene moiety: synthesis, ground state polarization and second-order nonlinear properties.","Organic & biomolecular chemistry","2013","11","37","6338","6349","10.1039/c3ob41278d","","","0.71073","MoKα","","0.1243","0.0654","","","0.1214","0.1487","","","","","","1.014","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153077","11.7899","0.0006","15.768","0.0007","15.298","0.0008","90","","90","","90","","2843.9","0.2","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","methyl 6-methyl-2-(6-methylpyridin-2-ylcarbamoyl)nicotinate","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C120 H120 N24 O24 -","8","2","","Gottschalk, Sven; Engelmann, Jörn; Rolla, Gabriele A.; Botta, Mauro; Parker, David; Mishra, Anurag","Comparative in vitro studies of MR imaging probes for metabotropic glutamate subtype-5 receptor targeting.","Organic & biomolecular chemistry","2013","11","36","6131","6141","10.1039/c3ob41297k","","","0.71073","MoKα","","0.0583","0.0422","","","0.1025","0.1198","","","","","","1.068","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153078","8.6627","0.0012","13.7443","0.0019","23.277","0.003","90","","90","","90","","2771.4","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O4 -","- C31 H36 N2 O4 -","- C124 H144 N8 O16 -","4","1","","Liu, Gang; Li, Jian; Qiu, Lin; Liu, Li; Xu, Guangyang; Ma, Bing; Sun, Jiangtao","Palladium-catalyzed carbenoid based N-H bond insertions: application to the synthesis of chiral α-amino esters.","Organic & biomolecular chemistry","2013","11","36","5998","6002","10.1039/c3ob41331d","","","0.71073","MoKα","","0.0611","0.0489","","","0.116","0.1232","","","","","","1.008","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153079","16.9366","0.0009","17.1465","0.0007","17.6534","0.0009","90","","109.578","0.006","90","","4830.2","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C240 H192 N32 -","16","2","","Tang, Meng; Zhang, Wen; Kong, Yuanfang","DABCO-promoted synthesis of pyrazoles from tosylhydrazones and nitroalkenes.","Organic & biomolecular chemistry","2013","11","37","6250","6254","10.1039/c3ob41435c","","","0.7107","MoKα","","0.0932","0.0552","","","0.1252","0.1504","","","","","","0.981","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153080","9.7691","0.0004","9.7691","0.0004","39.742","0.003","90","","90","","120","","3284.7","0.3","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C26 H21 Br N2 O2 -","- C26 H21 Br N2 O2 -","- C156 H126 Br6 N12 O12 -","6","1","","Zhang, Han-Ming; Lv, Hui; Ye, Song","N-Heterocyclic carbene-catalyzed highly enantioselective synthesis of substituted dihydropyranopyrazolones.","Organic & biomolecular chemistry","2013","11","37","6255","6257","10.1039/c3ob41455h","","","0.71073","MoKα","","0.0426","0.0393","","","0.0856","0.0872","","","","","","1.15","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153081","14.5489","0.0017","31.423","0.009","11.609","0.0013","90","","118.413","0.008","90","","4668","1.6","298.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C54 H56 O8 -","- C54 H56 O8 -","- C216 H224 O32 -","4","0.5","","Ito, Yosuke; Tomiyasu, Yuichi; Kawanabe, Takahiro; Uemura, Keisuke; Ushimizu, Yuu; Nishino, Hiroshi","One-pot synthesis of cyclophane-type macrocycles using manganese(III)-mediated oxidative radical cyclization.","Organic & biomolecular chemistry","2011","9","5","1491","1507","10.1039/c0ob00683a","","","0.71069","MoKα","","","0.0878","","","","0.1042","","","","","","4.749","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153082","8.046","0.001","14.28","0.002","22.646","0.003","90","","90","","90","","2602","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C108 H136 N8 O16 -","4","1","","Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.","Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.","Organic & biomolecular chemistry","2011","9","1","297","306","10.1039/c0ob00529k","","","0.71073","MoKα","","0.0854","0.0418","","","0.0939","0.1034","","","","","","0.807","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153083","10.276","0.002","5.799","0.003","20.259","0.005","90","","103.07","0.02","90","","1176","0.7","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C52 H64 N4 O8 -","2","1","","Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.","Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.","Organic & biomolecular chemistry","2011","9","1","297","306","10.1039/c0ob00529k","","","0.71073","MoKα","","0.1226","0.0734","","0.1465","0.117","","","","1.253","1.213","1.213","","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153084","11.351","0.002","9.7612","0.001","19.942","0.003","90","","91.07","0.02","90","","2209.2","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N2 O4 -","- C25 H28 N2 O4 -","- C100 H112 N8 O16 -","4","2","","Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.","Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.","Organic & biomolecular chemistry","2011","9","1","297","306","10.1039/c0ob00529k","","","0.71073","MoKα","","0.0936","0.0494","","0.141","0.1","","","","1.006","1.059","1.059","","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153085","8.4737","0.0003","16.6247","0.0005","28.3411","0.0009","90","","93.637","0.002","90","","3984.4","0.2","135","0.1","135","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 N4 O5 -","- C21 H26 N4 O5 -","- C168 H208 N32 O40 -","8","1","","Li, Xianghui; Jia, Yiming; Ren, Yi; Wang, Youjia; Hu, Jinchuan; Ma, Teng; Feng, Wen; Yuan, Lihua","Quadruply hydrogen-bonded heteroduplexes based on imide and urea units arrayed with ADDA/DAAD sequences.","Organic & biomolecular chemistry","2013","11","40","6975","6983","10.1039/c3ob40998h","","","0.7107","MoKα","","0.0532","0.0405","","","0.0927","0.1014","","","","","","1.026","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153086","3.8013","0.0007","11.882","0.003","13.31","0.004","90","","90.41","0.03","90","","601.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F2 N2 -","- C16 H10 F2 N2 -","- C32 H20 F4 N4 -","2","0.5","","Chen, Zhengwang; Ye, Dongnai; Xu, Guohai; Ye, Min; Liu, Liangxian","Highly efficient synthesis of 2,5-disubstituted pyrazines from (Z)-β-haloenol acetates.","Organic & biomolecular chemistry","2013","11","39","6699","6702","10.1039/c3ob41164h","","","0.71073","MoKα","","0.1215","0.0599","","","0.1097","0.1392","","","","","","0.986","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153087","7.8405","0.0013","9.2163","0.0012","15.484","0.002","96.813","0.011","90.713","0.013","104.161","0.013","1076.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 N4 O -","- C29 H20 N4 O -","- C58 H40 N8 O2 -","2","1","","Berezin, Andrey A.; Constantinides, Christos P.; Mirallai, Styliana I.; Manoli, Maria; Cao, Levy L.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","Synthesis and properties of imidazolo-fused benzotriazinyl radicals.","Organic & biomolecular chemistry","2013","11","39","6780","6795","10.1039/c3ob41169a","","","1.54184","CuKα","","0.061","0.0471","","","0.1211","0.1323","","","","","","1.028","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153088","7.8924","0.0008","11.3721","0.0009","13.2802","0.0012","96.019","0.007","90.262","0.008","96.237","0.008","1178.2","0.19","100.05","0.1","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H22 N5 -","- C32 H22 N5 -","- C64 H44 N10 -","2","1","","Berezin, Andrey A.; Constantinides, Christos P.; Mirallai, Styliana I.; Manoli, Maria; Cao, Levy L.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","Synthesis and properties of imidazolo-fused benzotriazinyl radicals.","Organic & biomolecular chemistry","2013","11","39","6780","6795","10.1039/c3ob41169a","","","1.54184","CuKα","","0.0526","0.0452","","","0.1272","0.1357","","","","","","1.043","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153089","6.176","0.008","11.293","0.015","12.236","0.016","90","","90","","90","","853.4","1.9","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.1648","0.0787","","","0.1571","0.1937","","","","","","0.896","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153090","7.2458","0.0009","7.571","0.0009","34.793","0.004","90","","90","","90","","1908.7","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0502","0.0374","","","0.0804","0.0871","","","","","","1.039","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153091","6.2123","0.0008","14.7435","0.0019","20.723","0.003","90","","90","","90","","1898","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0407","0.0351","","","0.0822","0.0858","","","","","","1.029","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153092","6.9415","0.0009","13.2918","0.0017","10.6904","0.0014","90","","96.511","0.002","90","","980","0.2","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C48 H60 O6 -","2","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0401","0.0357","","","0.0873","0.0896","","","","","","1.487","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153093","8.6456","0.0003","20.4565","0.0005","9.964","0.0003","90","","105.672","0.004","90","","1696.71","0.09","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 I N O -","- C21 H14 I N O -","- C84 H56 I4 N4 O4 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0524","0.0308","","","0.0663","0.0699","","","","","","0.987","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153094","15.674","0.0011","8.2808","0.0006","28.5842","0.0019","90","","101.695","0.001","90","","3633","0.4","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Cl I N O -","- C21 H13 Cl I N O -","- C168 H104 Cl8 I8 N8 O8 -","8","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.033","0.0288","","","0.0751","0.0778","","","","","","1.052","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153095","31.568","0.005","5.7418","0.0008","23.028","0.003","90","","105.641","0.003","90","","4019.4","1","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 Cl F3 I N O -","- C22 H12 Cl F3 I N O -","- C176 H96 Cl8 F24 I8 N8 O8 -","8","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0748","0.037","","","0.073","0.0832","","","","","","0.979","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153096","6.8137","0.0003","10.3948","0.0005","24.8522","0.0012","90","","96.933","0.004","90","","1747.34","0.14","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 I N2 O3 -","- C19 H17 I N2 O3 -","- C76 H68 I4 N8 O12 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0732","0.07","","","0.1984","0.1996","","","","","","1.288","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153097","5.356","0.0002","11.4646","0.0007","15.8424","0.001","107.043","0.006","96.345","0.004","98.308","0.004","908.22","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 F3 I N O -","- C20 H17 F3 I N O -","- C40 H34 F6 I2 N2 O2 -","2","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0237","0.0201","","","0.048","0.0486","","","","","","1.013","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153098","6.6498","0.0004","20.2549","0.0011","14.0362","0.0008","90","","98.404","0.001","90","","1870.25","0.19","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I N2 O3 Si -","- C18 H17 I N2 O3 Si -","- C72 H68 I4 N8 O12 Si4 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0338","0.0276","","","0.0746","0.0786","","","","","","1.025","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153099","8.1298","0.0002","10.69","0.0003","11.1738","0.0003","80.375","0.002","87.307","0.002","73.916","0.002","919.94","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 F3 I N O -","- C22 H13 F3 I N O -","- C44 H26 F6 I2 N2 O2 -","2","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0299","0.0243","","","0.0599","0.0611","","","","","","0.994","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153100","31.297","0.003","8.1567","0.0007","18.7872","0.0016","90","","119.988","0.002","90","","4154","0.6","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N3 O3 -","- C26 H17 N3 O3 -","- C208 H136 N24 O24 -","8","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0748","0.0431","","","0.1128","0.1319","","","","","","1.009","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153101","12.0042","0.0003","14.4363","0.0003","12.433","0.0004","90","","106.177","0.003","90","","2069.28","0.1","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 O4 -","- C27 H18 N2 O4 -","- C108 H72 N8 O16 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.066","0.0364","","","0.0674","0.0698","","","","","","1.182","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153102","12.839","0.004","12.86","0.004","16.021","0.005","76.149","0.004","87.883","0.004","88.339","0.004","2566","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H74 Br6 Eu2 N6 O26 S2 -","- C76 H74 Br6 Eu2 N6 O26 S2 -","- C76 H74 Br6 Eu2 N6 O26 S2 -","1","0.5","","Yang, Yan-Ling; Wang, Ya-Wen; Duan, Dong-Zhu; Zhang, Ai-Jiang; Fang, Jian-Guo; Peng, Yu","Off-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.","Organic & biomolecular chemistry","2013","11","40","6960","6966","10.1039/c3ob41319e","","","0.71073","MoKα","","0.1028","0.0623","","","0.1417","0.1567","","","","","","0.932","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153103","12.838","0.002","12.867","0.002","16.039","0.003","76.149","0.002","87.85","0.002","88.362","0.002","2570.1","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H74 Br6 Gd2 N6 O26 S2 -","- C76 H74 Br6 Gd2 N6 O26 S2 -","- C76 H74 Br6 Gd2 N6 O26 S2 -","1","0.5","","Yang, Yan-Ling; Wang, Ya-Wen; Duan, Dong-Zhu; Zhang, Ai-Jiang; Fang, Jian-Guo; Peng, Yu","Off-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.","Organic & biomolecular chemistry","2013","11","40","6960","6966","10.1039/c3ob41319e","","","0.71073","MoKα","","0.0688","0.0443","","","0.0846","0.0907","","","","","","0.903","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153104","12.818","0.002","12.868","0.002","16.038","0.003","76.169","0.002","87.766","0.002","88.385","0.002","2566.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H74 Br6 N6 O26 S2 Tb2 -","- C76 H74 Br6 N6 O26 S2 Tb2 -","- C76 H74 Br6 N6 O26 S2 Tb2 -","1","0.5","","Yang, Yan-Ling; Wang, Ya-Wen; Duan, Dong-Zhu; Zhang, Ai-Jiang; Fang, Jian-Guo; Peng, Yu","Off-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.","Organic & biomolecular chemistry","2013","11","40","6960","6966","10.1039/c3ob41319e","","","0.71073","MoKα","","0.0674","0.0468","","","0.128","0.138","","","","","","0.858","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153105","9.1921","0.0013","14.0304","0.0018","9.0659","0.0013","90","","114.463","0.004","90","","1064.3","0.3","101","2","101","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Sanz, Xavier; Lee, Graham M.; Pubill-Ulldemolins, Cristina; Bonet, Amadeu; Gulyás, Henrik; Westcott, Stephen A.; Bo, Carles; Fernández, Elena","Metal-free borylative ring-opening of vinyl epoxides and aziridines.","Organic & biomolecular chemistry","2013","11","40","7004","7010","10.1039/c3ob41328d","","","0.71073","MoKα","","0.0627","0.0432","","","0.1009","0.1105","","","","","","1.041","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153106","6.1713","0.0001","12.5187","0.0003","19.7716","0.0005","90","","90","","90","","1527.49","0.06","150","","150","","","","","","","","total synthesis","4","P 2 21 21","P 2bc 2","18","","","","- C13 H18 N3 O6 -","- C13 H18 N3 O6 -","- C52 H72 N12 O24 -","4","1","","Glawar, Andreas F. G.; Jenkinson, Sarah F.; Newberry, Scott J.; Thompson, Amber L.; Nakagawa, Shinpei; Yoshihara, Akihide; Akimitsu, Kazuya; Izumori, Ken; Butters, Terry D.; Kato, Atsushi; Fleet, George W. J.","An approach to 8 stereoisomers of homonojirimycin from d-glucose via kinetic & thermodynamic azido-γ-lactones.","Organic & biomolecular chemistry","2013","11","40","6886","6899","10.1039/c3ob41334a","","","0.71073","MoKα","","0.0579","0.0395","","0.1036","0.0853","0.1036","","","","","","0.9854","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153107","7.36955","0.00008","8.40431","0.00011","24.1914","0.0003","90","","90","","90","","1498.32","0.03","150","","150","","","","","","","","total synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C52 H76 N12 O24 -","4","1","","Glawar, Andreas F. G.; Jenkinson, Sarah F.; Newberry, Scott J.; Thompson, Amber L.; Nakagawa, Shinpei; Yoshihara, Akihide; Akimitsu, Kazuya; Izumori, Ken; Butters, Terry D.; Kato, Atsushi; Fleet, George W. J.","An approach to 8 stereoisomers of homonojirimycin from d-glucose via kinetic & thermodynamic azido-γ-lactones.","Organic & biomolecular chemistry","2013","11","40","6886","6899","10.1039/c3ob41334a","","","1.54184","CuKα","","0.0246","0.024","","0.0623","0.0618","0.0623","","","","","","1.0121","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153108","9.6249","0.0018","9.9872","0.0019","26.39","0.005","90","","92.252","0.003","90","","2534.8","0.8","278","2","278","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl N6 O -","- C28 H25 Cl N6 O -","- C112 H100 Cl4 N24 O4 -","4","1","","Gordillo-Cruz, Raul E; Rentería-Gómez, Angel; Islas-Jácome, Alejandro; Cortes-García, Carlos J; Díaz-Cervantes, Erik; Robles, Juvencio; Gámez-Montaño, Rocío","Synthesis of 3-tetrazolylmethyl-azepino[4,5-b]indol-4-ones in two reaction steps: (Ugi-azide/N-acylation/SN2)/free radical cyclization and docking studies to a 5-Ht6 model.","Organic & biomolecular chemistry","2013","11","38","6470","6476","10.1039/c3ob41349g","","","0.71073","MoKα","","0.1875","0.0449","","","0.0416","0.0581","","","","","","0.736","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153109","14.1444","0.0014","15.9217","0.0016","16.094","0.0016","90","","112.638","0.002","90","","3345.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6.25 -","- C35 H38 Br N5 O6.125 -","- C140 H152 Br4 N20 O24.5 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.036","0.0316","","","0.0714","0.0872","","","","","","0.962","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153110","14.1383","0.0003","15.9256","0.0003","16.0775","0.0004","90","","112.556","0.001","90","","3343.11","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6.125 -","- C140 H152 Br4 N20 O24.5 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.031","0.0265","","","0.0602","0.0615","","","","","","1.044","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153111","11.2385","0.0014","9.231","0.0011","32.8","0.004","90","","99.779","0.002","90","","3353.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6 -","- C140 H152 Br4 N20 O24 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.0438","0.0402","","","0.0921","0.0942","","","","","","1.051","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153112","11.2356","0.0006","9.2098","0.0005","32.8244","0.0016","90","","99.774","0.002","90","","3347.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6 -","- C140 H152 Br4 N20 O24 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.0329","0.0271","","","0.0516","0.0529","","","","","","0.987","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153113","17.229","0.003","8.704","0.0009","12.324","0.0012","90","","103.236","0.002","90","","1799","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F3 N O -","- C22 H18 F3 N O -","- C88 H72 F12 N4 O4 -","4","1","","Liu, Xiao; Xu, Xianxiu; Pan, Ling; Zhang, Qian; Liu, Qun","Efficient synthesis of trifluoromethylated cyclopentadienes/fulvenes/norbornenes from divinyl ketones.","Organic & biomolecular chemistry","2013","11","39","6703","6706","10.1039/c3ob41400k","","","0.71069","MoKα","","0.1328","0.0564","","","0.137","0.1696","","","","","","1.005","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153114","8.8865","0.0005","9.3125","0.0003","10.946","0.0005","90.733","0.003","112.772","0.005","97.43","0.004","826.26","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C38 H34 N6 O6 -","2","1","","Day, Jonathan; Uroos, Maliha; Castledine, Richard A.; Lewis, William; McKeever-Abbas, Ben; Dowden, James","Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides.","Organic & biomolecular chemistry","2013","11","38","6502","6509","10.1039/c3ob41415a","","","1.54184","CuKα","","0.0371","0.0346","","","0.0883","0.0903","","","","","","1.052","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153115","8.5537","0.0012","9.056","0.0014","16.2097","0.0017","83.982","0.011","81.361","0.011","67.758","0.014","1147.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Br N2 O6 -","- C23 H27 Br N2 O6 -","- C46 H54 Br2 N4 O12 -","2","1","","Day, Jonathan; Uroos, Maliha; Castledine, Richard A.; Lewis, William; McKeever-Abbas, Ben; Dowden, James","Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides.","Organic & biomolecular chemistry","2013","11","38","6502","6509","10.1039/c3ob41415a","","","1.54184","CuKα","","0.1471","0.0804","","","0.1716","0.2241","","","","","","1.066","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153116","12.1265","0.0005","9.34","0.0003","21.7279","0.0007","90","","92.861","0.003","90","","2457.87","0.15","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N3 O6 S -","- C26 H25 N3 O6 S -","- C104 H100 N12 O24 S4 -","4","1","","Feng, Chengtao; Su, Ji-Hu; Yan, Yizhe; Guo, Fengfeng; Wang, Zhiyong","Cobalt-catalyzed oxidative [3 + 2] cycloaddition reactions: an efficient synthesis of pyrrolo- and imidazo-[2,1-a]isoquinolines.","Organic & biomolecular chemistry","2013","11","39","6691","6694","10.1039/c3ob41424h","","","0.71073","MoKα","","0.0838","0.0502","","","0.1073","0.1229","","","","","","1.023","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153117","7.7952","0.0016","13.733","0.003","21.171","0.004","90","","90","","90","","2266.4","0.8","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O5 S -","- C23 H22 Br N O5 S -","- C92 H88 Br4 N4 O20 S4 -","4","1","","Zou, Gong-Feng; Pan, Feng; Liao, Wei-Wei","Lewis base catalyzed asymmetric substitution/Diels-Alder cascade reaction: a rapid and efficient construction of enantioenriched diverse tricyclic heterocycles.","Organic & biomolecular chemistry","2013","11","41","7080","7083","10.1039/c3ob41454j","","","0.71073","MoKα","","0.0475","0.0357","","","0.087","0.0922","","","","","","1.039","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153118","17.9074","0.0018","12.6049","0.0012","17.3136","0.0017","90","","109.254","0.002","90","","3689.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F N O3 -","- C23 H18 F N O3 -","- C184 H144 F8 N8 O24 -","8","1","","Duan, Zhiqiang; Han, Jianlin; Qian, Ping; Zhang, Zirui; Wang, Yi; Pan, Yi","Enantioselective synthesis of 3-hydroxy oxindoles by ytterbium-catalysed decarboxylative addition of β-ketoacids to isatins.","Organic & biomolecular chemistry","2013","11","38","6456","6459","10.1039/c3ob41460d","","","0.71073","MoKα","","0.0769","0.0476","","","0.1064","0.1216","","","","","","1.034","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153119","5.8916","0.0004","9.9811","0.0006","14.272","0.0009","90","","90.639","0.001","90","","839.21","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sugar","","","- C13 H19 Cl3 O6 -","- C13 H19 Cl3 O6 -","- C26 H38 Cl6 O12 -","2","1","","Vangala, Madhuri; Dhokale, Snehal A.; Gawade, Rupesh L.; Pattuparambil, Rajamohanan R.; Puranik, Vedavati G.; Dhavale, Dilip D.","Sugar furanoid trans-vicinal diacid as a γ-turn inducer: synthesis and conformational study.","Organic & biomolecular chemistry","2013","11","40","6874","6878","10.1039/c3ob41462k","","","0.71073","MoKα","","0.0255","0.0253","","","0.0651","0.0653","","","","","","1.139","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153120","9.7965","0.0006","10.618","0.0007","21.199","0.001","90","","90","","90","","2205.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sugar","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C80 H104 N16 O24 -","4","1","","Vangala, Madhuri; Dhokale, Snehal A.; Gawade, Rupesh L.; Pattuparambil, Rajamohanan R.; Puranik, Vedavati G.; Dhavale, Dilip D.","Sugar furanoid trans-vicinal diacid as a γ-turn inducer: synthesis and conformational study.","Organic & biomolecular chemistry","2013","11","40","6874","6878","10.1039/c3ob41462k","","","0.71073","MoKα","","0.0564","0.0461","","","0.1064","0.1118","","","","","","1.063","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153121","11.245","0.002","12.063","0.003","13.951","0.003","90","","97.496","0.01","90","","1876.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh","Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.","Organic & biomolecular chemistry","2013","11","40","6984","6993","10.1039/c3ob41482e","","","0.71073","MoKα","","0.1416","0.046","","","0.0997","0.1303","","","","","","0.839","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153122","10.8852","0.0016","12.4799","0.0018","13.7493","0.0018","90","","103.481","0.005","90","","1816.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O4 -","- C23 H17 N O4 -","- C92 H68 N4 O16 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh","Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.","Organic & biomolecular chemistry","2013","11","40","6984","6993","10.1039/c3ob41482e","","","0.71073","MoKα","","0.0864","0.0513","","","0.1214","0.1388","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153123","6.7467","0.0004","12.811","0.0007","21.6174","0.0013","90","","90","","90","","1868.43","0.19","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh","Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.","Organic & biomolecular chemistry","2013","11","40","6984","6993","10.1039/c3ob41482e","","","0.71073","MoKα","","0.155","0.0706","","","0.154","0.1849","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153124","8.7505","0.0005","10.8915","0.0006","15.6217","0.0007","90","","90","","90","","1488.84","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H0 N8 O4 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Wang, Wenjing; Xue, Jijun; Tian, Tian; Jiao, Yingdong; Li, Ying","The first asymmetric total synthesis of (+)-coriandrone A and B.","Organic & biomolecular chemistry","2013","11","39","6686","6690","10.1039/c3ob41497c","","","0.7107","MoKα","","0.0648","0.0501","","","0.1048","0.1157","","","","","","1.08","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153125","11.574","0.0003","12.0274","0.0003","13.1839","0.0006","104.872","0.0001","101.801","0.002","107.204","0.0001","1614.37","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H45 N9 O6 -","- C24 H33 N9 O6 -","- C48 H66 N18 O12 -","2","1","","Rosien, Jan-Ruven; Seichter, Wilhelm; Mazik, Monika","Trimethoxybenzene- and trimethylbenzene-based compounds bearing imidazole, indole and pyrrole groups as recognition units: synthesis and evaluation of the binding properties towards carbohydrates.","Organic & biomolecular chemistry","2013","11","38","6569","6579","10.1039/c3ob41540f","","","0.71073","MoKα","","0.0885","0.0794","","","0.2213","0.2285","","","","","","1.146","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153126","11.3964","0.0009","7.3357","0.0006","20.4793","0.0007","90","","103.585","0.005","90","","1664.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H14 Br N O3 -","- C19 H14 Br N O3 -","- C76 H56 Br4 N4 O12 -","4","2","","Biswas, Soumen; Jaiswal, Pradeep Kumar; Singh, Shivendra; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed stereoselective synthesis of (E)-methyl-α-indol-2-yl-β-aryl/alkyl acrylates: easy access to substituted carbazoles, γ-carbolines and prenostodione.","Organic & biomolecular chemistry","2013","11","41","7084","7087","10.1039/c3ob41573b","","","0.71073","MoKα","","0.0988","0.0574","","","0.1295","0.1596","","","","","","1.026","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153127","9.3019","0.0005","16.7028","0.0018","20.7326","0.0014","90","","90","","90","","3221.2","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C152 H120 N8 O32 -","8","1","","Biswas, Soumen; Jaiswal, Pradeep Kumar; Singh, Shivendra; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed stereoselective synthesis of (E)-methyl-α-indol-2-yl-β-aryl/alkyl acrylates: easy access to substituted carbazoles, γ-carbolines and prenostodione.","Organic & biomolecular chemistry","2013","11","41","7084","7087","10.1039/c3ob41573b","","","0.71073","MoKα","","0.0743","0.0593","","","0.1613","0.1796","","","","","","1.062","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153128","11.82","0.003","8.1262","0.0018","18.945","0.003","90","","125.565","0.01","90","","1480.2","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Zou, Yong; Huang, Qi; Huang, Tong-Kun; Ni, Qing-Chun; Zhang, En-Sheng; Xu, Tian-Long; Yuan, Mu; Li, Jun","CuI/1,10-phen/PEG promoted decarboxylation of 2,3-diarylacrylic acids: synthesis of stilbenes under neutral and microwave conditions with an in situ generated recyclable catalyst.","Organic & biomolecular chemistry","2013","11","40","6967","6974","10.1039/c3ob41588k","","","0.71073","MoKα","","0.0667","0.0409","","","0.0981","0.1105","","","","","","1.034","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153129","6.6246","0.0016","8.867","0.003","9.748","0.003","107.355","0.007","91.179","0.005","95.669","0.007","543.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 I O -","- C12 H11 I O -","- C24 H22 I2 O2 -","2","1","","Gu, Xiangyong; Lu, Ping; Fan, Weigang; Li, Pixu; Yao, Yingming","Visible light photoredox atom transfer Ueno-Stork reaction.","Organic & biomolecular chemistry","2013","11","41","7088","7091","10.1039/c3ob41600c","","","0.7107","MoKα","","0.0406","0.0321","","","0.0765","0.082","","","","","","1.009","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153130","12.5002","0.0002","21.1067","0.0003","7.4487","0.0001","90","","105.576","0.002","90","","1893.08","0.05","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","1.54184","CuKα","","0.0496","0.0439","","","0.1238","0.1295","","","","","","1.036","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153131","9.0858","0.0003","10.4482","0.0004","17.2738","0.0005","90","","90","","90","","1639.81","0.1","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","0.71073","MoKα","","0.0679","0.0458","","","0.0882","0.098","","","","","","1.034","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153132","9.0802","0.0001","10.4402","0.0002","17.2659","0.0002","90","","90","","90","","1636.79","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","1.54184","CuKα","","0.0275","0.0269","","","0.0737","0.0744","","","","","","1.033","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153133","7.5297","0.0008","15.7552","0.0016","12.3971","0.0016","90","","94.664","0.01","90","","1465.8","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br N4 -","- C18 H14 Br N4 -","- C72 H56 Br4 N16 -","4","1","","Ramesh, Subburethinam; Kr Ghosh, Suman; Nagarajan, Rajagopal","Copper catalyzed synthesis of fused benzimidazolopyrazine derivatives via tandem benzimidazole formation/annulation of δ-alkynyl aldehyde.","Organic & biomolecular chemistry","2013","11","44","7712","7720","10.1039/c3ob41044g","","","0.71073","MoKα","","0.1224","0.0614","","","0.0654","0.0843","","","","","","0.974","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153134","7.928","0.002","16.966","0.005","12.302","0.004","90","","93.429","0.005","90","","1651.7","0.8","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","1","","Ramesh, Subburethinam; Kr Ghosh, Suman; Nagarajan, Rajagopal","Copper catalyzed synthesis of fused benzimidazolopyrazine derivatives via tandem benzimidazole formation/annulation of δ-alkynyl aldehyde.","Organic & biomolecular chemistry","2013","11","44","7712","7720","10.1039/c3ob41044g","","","0.71073","MoKα","","0.0513","0.0441","","","0.1103","0.1168","","","","","","1.044","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153135","18.482","0.003","24.976","0.004","14.268","0.002","90","","108.136","0.002","90","","6259","1.7","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N3 O0.5 -","- C20 H17 N3 O0.5 -","- C320 H272 N48 O8 -","16","2","","Ramesh, Subburethinam; Kr Ghosh, Suman; Nagarajan, Rajagopal","Copper catalyzed synthesis of fused benzimidazolopyrazine derivatives via tandem benzimidazole formation/annulation of δ-alkynyl aldehyde.","Organic & biomolecular chemistry","2013","11","44","7712","7720","10.1039/c3ob41044g","","","0.71073","MoKα","","0.1411","0.1048","","","0.3198","0.3499","","","","","","1.301","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153136","8.4365","0.0004","19.7096","0.0017","11.9702","0.0005","90","","91.556","0.003","90","","1989.7","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H62 F N3 O6 -","- C42 H62 F N3 O6 -","- C84 H124 F2 N6 O12 -","2","1","","Rosen, Christian B.; Hansen, Dennis J.; Gothelf, Kurt V.","Efficient colorimetric and fluorescent detection of fluoride in DMSO-water mixtures with arylaldoximes.","Organic & biomolecular chemistry","2013","11","45","7916","7922","10.1039/c3ob41078a","","","0.7107","MoKα","","0.041","0.0357","","","0.0798","0.083","","","","","","1.046","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153137","17.2054","0.0017","8.3014","0.0009","23.741","0.002","90","","96.687","0.004","90","","3367.8","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 F N3 O2 -","- C38 H54 F N3 O2 -","- C152 H216 F4 N12 O8 -","4","1","","Rosen, Christian B.; Hansen, Dennis J.; Gothelf, Kurt V.","Efficient colorimetric and fluorescent detection of fluoride in DMSO-water mixtures with arylaldoximes.","Organic & biomolecular chemistry","2013","11","45","7916","7922","10.1039/c3ob41078a","","","0.71073","MoKα","","0.1256","0.0568","","","0.1167","0.1418","","","","","","1.001","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153138","12.3869","0.0016","5.4576","0.0007","24.843","0.003","90","","101.217","0.002","90","","1647.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2,3-Dihydro-1H-benzo[g]pyrimido[1,2-a][1,8]naphthyridin-5-yl)(phenyl)methanone","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Zhang, Yi-Chuan; Liu, Zhi-Cheng; Yang, Rui; Zhang, Ji-Hong; Yan, Sheng-Jiao; Lin, Jun","Regioselective construction of 1,3-diazaheterocycle fused [1,2-a][1,8]naphthyridine derivatives via cascade reaction of quinolines with heterocyclic ketene aminals: a joint experimental-computational approach.","Organic & biomolecular chemistry","2013","11","42","7276","7288","10.1039/c3ob41200h","","","0.71073","MoKα","","0.0699","0.0436","","","0.119","0.1325","","","","","","1.062","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153139","9.598","0.002","16.561","0.003","13.354","0.003","90","","98.05","0.03","90","","2101.7","0.8","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O Se -","- C26 H24 N2 O Se -","- C104 H96 N8 O4 Se4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1979","0.062","","","0.1158","0.1581","","","","","","0.952","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153140","12.197","0.002","13.572","0.003","13.886","0.003","90","","110.67","0.03","90","","2150.7","0.9","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 S2 -","- C26 H24 N2 S2 -","- C104 H96 N8 S8 -","4","0.5","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1125","0.0523","","","0.1311","0.1814","","","","","","1.068","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153141","16.364","0.003","9.393","0.002","23.502","0.005","90","","103.82","0.03","90","","3507.8","1.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C88 H84 N2 O9 Se -","- C88 H84 N2 O9 Se -","- C176 H168 N4 O18 Se2 -","2","0.5","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1224","0.0739","","","0.1891","0.214","","","","","","1.184","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153142","16.387","0.003","9.477","0.002","23.828","0.005","90","","103.58","0.03","90","","3597","1.3","295","","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H42 N O4 S -","- C44 H42 N O4 S -","- C176 H168 N4 O16 S4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1038","0.0974","","","0.2276","0.2313","","","","","","1.025","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153143","9.339","0.002","16.111","0.003","15.343","0.003","90","","104.1","0.03","90","","2239","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 Se2 -","- C26 H24 N2 Se2 -","- C104 H96 N8 Se8 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1798","0.0608","","","0.1241","0.164","","","","","","0.935","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153144","10.8405","0.0007","9.3369","0.0004","23.9357","0.0016","90","","98.99","0.007","90","","2392.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Cl2 N2 O2 -","- C27 H26 Cl2 N2 O2 -","- C108 H104 Cl8 N8 O8 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.0881","0.0481","","","0.1264","0.1358","","","","","","0.927","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153145","16.458","0.003","9.484","0.002","23.761","0.005","90","","103.26","0.03","90","","3609.9","1.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H42 N O4 Se -","- C44 H42 N O4 Se -","- C176 H168 N4 O16 Se4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.0704","0.0617","","","0.1469","0.1518","","","","","","1.076","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153146","16.7348","0.001","9.889","0.0005","24.2605","0.0015","90","","100.045","0.006","90","","3953.3","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H43 Cl3 N4 O4 -","- C47 H43 Cl3 N4 O4 -","- C188 H172 Cl12 N16 O16 -","4","0.5","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1146","0.0714","","","0.1521","0.1681","","","","","","1.035","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153147","5.8968","0.0007","21.674","0.002","12.1696","0.0013","90","","103.342","0.002","90","","1513.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F3 O3 -","- C17 H15 F3 O3 -","- C68 H60 F12 O12 -","4","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","A synthesis of γ-trifluoromethyl α,β-unsaturated γ-butyrolactones using CF(3)SiMe(3) as a trifluoromethylating agent.","Organic & biomolecular chemistry","2013","11","38","6650","6658","10.1039/c3ob41247d","","","0.71073","MoKα","","0.1709","0.1027","","","0.1932","0.2251","","","","","","1.091","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153148","17.239","0.011","12.975","0.008","12.221","0.007","90","","134.379","0.01","90","","1954","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 F3 O3 -","- C10 H9 F3 O3 -","- C80 H72 F24 O24 -","8","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","A synthesis of γ-trifluoromethyl α,β-unsaturated γ-butyrolactones using CF(3)SiMe(3) as a trifluoromethylating agent.","Organic & biomolecular chemistry","2013","11","38","6650","6658","10.1039/c3ob41247d","","","0.71073","MoKα","","0.1909","0.1265","","","0.2795","0.2964","","","","","","0.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153149","11.177","0.0011","5.4737","0.0004","25.78","0.003","90","","100.299","0.009","90","","1551.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl N3 O2 -","- C17 H14 Cl N3 O2 -","- C68 H56 Cl4 N12 O8 -","4","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.1291","0.0599","","","0.1279","0.1575","","","","","","0.973","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153150","8.5356","0.0005","10.9149","0.0006","24.3049","0.0016","90","","95.72","0.006","90","","2253.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O3 S -","- C24 H26 N4 O3 S -","- C96 H104 N16 O12 S4 -","4","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.088","0.0669","","","0.1784","0.1956","","","","","","1.028","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153151","6.0255","0.0006","10.3665","0.0011","13.6263","0.0014","92.903","0.009","97.168","0.008","94.666","0.008","840.1","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N4 O4 -","- C18 H16 N4 O4 -","- C36 H32 N8 O8 -","2","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.0794","0.0549","","","0.1378","0.1525","","","","","","1.055","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153152","8.4958","0.0006","11.6503","0.0008","18.9628","0.0014","90","","94.116","0.001","90","","1872.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O3 S -","- C19 H20 N4 O3 S -","- C76 H80 N16 O12 S4 -","4","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.0519","0.0419","","","0.1218","0.1269","","","","","","1.073","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153153","10.8262","0.0003","12.7507","0.0004","14.1556","0.0004","86.54","0.001","68.923","0.002","65.63","0.002","1651.94","0.09","115","2","115","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 B N2 O6 -","- C39 H39 B N2 O6 -","- C78 H78 B2 N4 O12 -","2","1","","Brizet, Bertrand; Bernhard, Claire; Volkova, Yulia; Rousselin, Yoann; Harvey, Pierre D.; Goze, Christine; Denat, Franck","Boron functionalization of BODIPY by various alcohols and phenols.","Organic & biomolecular chemistry","2013","11","44","7729","7737","10.1039/c3ob41370e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0681","0.0521","","","0.1073","0.1172","","","","","","1.068","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153154","12.698","0.0006","16.1029","0.0009","19.8555","0.0009","90","","98.257","0.005","90","","4017.9","0.3","202","2","202","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Cl4 Fe N2 O2 -","- C37 H51 Cl3.97 Fe N2 O2 -","- C148 H204 Cl15.88 Fe4 N8 O8 -","4","1","","Xia, Chong-Liang; Xie, Cun-Fei; Wu, Yu-Feng; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Efficient cross-coupling of aryl Grignard reagents with alkyl halides by recyclable ionic iron(iii) complexes bearing a bis(phenol)-functionalized benzimidazolium cation.","Organic & biomolecular chemistry","2013","11","46","8135","8144","10.1039/c3ob41376d","","","0.71073","MoKα","","0.095","0.0667","","","0.1811","0.197","","","","","","1.055","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153155","10.364","0.003","11.468","0.003","19.427","0.005","93.341","0.002","99.459","0.006","115.939","0.006","2026","1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H51 Br4 Fe N2 O2 -","- C37 H51 Br4 Fe N2 O2 -","- C74 H102 Br8 Fe2 N4 O4 -","2","1","","Xia, Chong-Liang; Xie, Cun-Fei; Wu, Yu-Feng; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Efficient cross-coupling of aryl Grignard reagents with alkyl halides by recyclable ionic iron(iii) complexes bearing a bis(phenol)-functionalized benzimidazolium cation.","Organic & biomolecular chemistry","2013","11","46","8135","8144","10.1039/c3ob41376d","","","0.71075","MoKα","","0.1221","0.0743","","","0.1964","0.2254","","","","","","1.051","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153156","61.2255","0.0018","14.4227","0.0004","21.9788","0.0007","90","","105.993","0.001","90","","18656.9","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cl8 Cu4 N12 O14 -","- C72 H60 Cl6 Cu4 N12 O6 -","- C576 H480 Cl48 Cu32 N96 O48 -","8","1","","Bencini, Andrea; Caddeo, Francesco; Caltagirone, Claudia; Garau, Alessandra; Hurstouse, Mike B.; Isaia, Francesco; Lampis, Sandrina; Lippolis, Vito; Lopez, Francesco; Meli, Valeria; Monduzzi, Maura; Mostallino, Maria Cristina; Murgia, Sergio; Puccioni, Stefano; Schmidt, Judith; Secci, Pietro Paolo; Talmon, Yeshayahu","An OFF-ON chemosensor for biological and environmental applications: sensing Cd(2+) in water using catanionic vesicles and in living cells.","Organic & biomolecular chemistry","2013","11","44","7751","7759","10.1039/c3ob41420e","","","0.71073","MoKα","","0.153","0.0926","","","0.2389","0.2701","","","","","","1.067","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153157","9.2625","0.001","16.6193","0.0018","23.112","0.003","102.761","0.002","100.394","0.002","90.159","0.002","3409.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 Br O3 -","- C13 H9 Br O3 -","- C156 H108 Br12 O36 -","12","6","","Wei, Enxiang; Liu, Bing; Lin, Shaoxia; Zhao, Baozhong; Liang, Fushun","Halonium-initiated double oxa-cyclization cascade as a synthetic strategy for halogenated furo[3,2-c]pyran-4-ones.","Organic & biomolecular chemistry","2013","11","41","7212","7217","10.1039/c3ob41526k","","","0.71073","MoKα","","0.1202","0.0789","","","0.2051","0.2269","","","","","","1.026","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7153158","7.7331","0.0012","11.849","0.002","15.25","0.003","90","","102.274","0.008","90","","1365.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 F3 I O5 -","- C11 H12 F3 I O5 -","- C44 H48 F12 I4 O20 -","4","1","","Ponomarenko, Maxim V.; Lummer, Katrin; Fokin, Andrey A.; Serguchev, Yurii A.; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Preparations of SF5- and CF3-substituted arenes utilizing the 7-oxabicyclo[2.2.1]hept-2-ene synthones.","Organic & biomolecular chemistry","2013","11","46","8103","8112","10.1039/c3ob41560k","","","0.71073","MoKα","","0.036","0.0282","","","0.0708","0.0779","","","","","","1.024","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153159","6.337","0.003","10.385","0.005","15.832","0.008","96.304","0.011","90.56","0.011","99.26","0.011","1021.7","0.9","173","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 F5 O S -","- C10 H7 F5 O S -","- C40 H28 F20 O4 S4 -","4","2","","Ponomarenko, Maxim V.; Lummer, Katrin; Fokin, Andrey A.; Serguchev, Yurii A.; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Preparations of SF5- and CF3-substituted arenes utilizing the 7-oxabicyclo[2.2.1]hept-2-ene synthones.","Organic & biomolecular chemistry","2013","11","46","8103","8112","10.1039/c3ob41560k","","","0.71073","MoKα","","0.0888","0.0731","","","0.1952","0.206","","","","","","1.002","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153160","12.367","0.003","9.325","0.002","7.9104","0.0019","90","","96.64","0.013","90","","906.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F5 O S -","- C8 H7 F5 O S -","- C32 H28 F20 O4 S4 -","4","1","","Ponomarenko, Maxim V.; Lummer, Katrin; Fokin, Andrey A.; Serguchev, Yurii A.; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Preparations of SF5- and CF3-substituted arenes utilizing the 7-oxabicyclo[2.2.1]hept-2-ene synthones.","Organic & biomolecular chemistry","2013","11","46","8103","8112","10.1039/c3ob41560k","","","0.71073","MoKα","","0.0349","0.0313","","","0.0874","0.0911","","","","","","1.025","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153161","9.7943","0.0004","10.0856","0.0004","17.1604","0.0008","90","","90","","90","","1695.13","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2S)-hydroxy-2-(2-oxo-(4R),(6R)-diphenyl-1,3,2-dioxaphosphorinan-2-yl) acetate","","- C18 H19 O6 P -","- C18 H19 O6 P -","- C72 H76 O24 P4 -","4","1","","Schiessl, Katharina; Roller, Alexander; Hammerschmidt, Friedrich","Determination of absolute configuration of the phosphonic acid moiety of fosfazinomycins.","Organic & biomolecular chemistry","2013","11","42","7420","7426","10.1039/c3ob41574k","","","0.71073","MoKα","","0.0322","0.0295","","","0.0814","0.0837","","","","","","1.018","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153162","10.9242","0.0003","9.473","0.0003","18.5505","0.0006","90","","94.287","0.002","90","","1914.33","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl (2R)-hydroxy-2-(2-oxo-(4R),(6R)-diphenyl-1,3,2-dioxaphosphorinan-2-yl) acetate","","- C18.5 H20 Cl O6 P -","- C18.5 H20 Cl O6 P -","- C74 H80 Cl4 O24 P4 -","4","2","","Schiessl, Katharina; Roller, Alexander; Hammerschmidt, Friedrich","Determination of absolute configuration of the phosphonic acid moiety of fosfazinomycins.","Organic & biomolecular chemistry","2013","11","42","7420","7426","10.1039/c3ob41574k","","","0.71073","MoKα","","0.0413","0.035","","","0.0866","0.0907","","","","","","1.022","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153163","6.9679","0.0003","19.054","0.0009","7.6683","0.0004","90","","93.428","0.002","90","","1016.27","0.08","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C44 H48 N4 O12 -","2","1","","Chin, Jik; Kwon, Soon Ho; Moozeh, Kimia; So, Soon Mog; Lough, Alan J.; Kim, B. Moon","Stereospecific synthesis of a twinned alanine ester.","Organic & biomolecular chemistry","2013","11","46","8022","8025","10.1039/c3ob41582a","","","1.54178","CuKα","","0.0306","0.0305","","","0.0761","0.0763","","","","","","1.067","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153164","5.8605","0.0001","11.8631","0.0002","14.0648","0.0003","73.426","0.001","83.068","0.001","82.104","0.001","924.9","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N O5 -","- C21 H18 N O5 -","- C42 H36 N2 O10 -","2","1","","Bao, Yun-Hong; Zhu, Jia-Yi; Qin, Wen-Bing; Kong, Yu-Bo; Chen, Zheng-Wang; Tang, Shao-Bin; Liu, Liang-Xian","Cu(ii)-catalyzed highly regio- and stereoselective construction of C-C double bonds: an efficient method for the ketonization-olefination of indoles.","Organic & biomolecular chemistry","2013","11","45","7938","7945","10.1039/c3ob41589a","","","0.71073","MoKα","","0.0632","0.0527","","","0.1487","0.1598","","","","","","1.041","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153165","7.5669","0.0004","10.6356","0.0005","24.4275","0.0012","90","","97.345","0.002","90","","1949.76","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N2 O2 S2 -","- C22 H19 N O2 S2 -","- C88 H76 N4 O8 S8 -","4","1","","Prasad, Ch Durga; Kumar, Shailesh; Sattar, Moh; Adhikary, Amit; Kumar, Sangit","Metal free sulfenylation and bis-sulfenylation of indoles: persulfate mediated synthesis.","Organic & biomolecular chemistry","2013","11","46","8036","8040","10.1039/c3ob41601a","","","0.71073","MoKα","","0.0585","0.0419","","","0.1347","0.1476","","","","","","1.102","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153166","20.173","0.006","51.635","0.014","5.5236","0.0015","90","","90","","90","","5754","3","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H12 N2 O2 S -","- C15 H13 N2 O2 S -","- C240 H208 N32 O32 S16 -","16","1","","Prasad, Ch Durga; Kumar, Shailesh; Sattar, Moh; Adhikary, Amit; Kumar, Sangit","Metal free sulfenylation and bis-sulfenylation of indoles: persulfate mediated synthesis.","Organic & biomolecular chemistry","2013","11","46","8036","8040","10.1039/c3ob41601a","","","0.71073","MoKα","","0.2406","0.0752","","","0.1652","0.2192","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153167","8.6242","0.0006","14.6111","0.001","9.004","0.0006","90","","115.147","0.001","90","","1027.05","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methiodide of km1291","(N,N')-Bis-methyliodide adduct of (1S,2R)-2-(Methyl-pyridin-3-ylmethyl-amino)-1-phenyl-propan-1-ol","","- C18 H26 I2 N2 O -","- C18 H26 I2 N2 O -","- C36 H52 I4 N4 O2 -","2","1","","Vasiloiu, Maria; Leder, Sonja; Gaertner, Peter; Mereiter, Kurt; Bica, Katharina","Coordinating chiral ionic liquids.","Organic & biomolecular chemistry","2013","11","46","8092","8102","10.1039/c3ob41635f","","","0.71073","MoKα","","0.0211","0.0209","","","0.0523","0.0524","","","","","","1.041","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153168","10.2744","0.0009","10.3315","0.0009","20.5699","0.0017","103.339","0.002","93.337","0.002","91.687","0.002","2118.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 F3 N2 O2 S -","- C23 H17 F3 N2 O2 S -","- C92 H68 F12 N8 O8 S4 -","4","2","","Li, Yajun; Zhang, Lisi; Zhang, Li; Wu, Yongming; Gong, Yuefa","Cu-catalyzed tandem reactions of fluorinated alkynes with sulfonyl azides en route to 2-trifluoromethylquinolines.","Organic & biomolecular chemistry","2013","11","42","7267","7270","10.1039/c3ob41658e","","","0.71073","MoKα","","0.082","0.0516","","","0.1326","0.1494","","","","","","1.034","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153169","5.4244","0.0018","11.419","0.004","15.941","0.005","90","","99.108","0.013","90","","975","0.6","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","1","","Peng, Yu; Luo, Zhen-Biao; Zhang, Jian-Jian; Luo, Long; Wang, Ya-Wen","Collective synthesis of several 2,7'-cyclolignans and their correlation by chemical transformations.","Organic & biomolecular chemistry","2013","11","43","7574","7586","10.1039/c3ob41672k","","","0.71073","MoKα","","0.0773","0.0565","","","0.1355","0.1498","","","","","","0.993","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153170","8.1666","0.0008","12.3232","0.001","20.795","0.002","85.685","0.008","80.44","0.008","89.993","0.007","2057.7","0.3","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C44 H52 O13 -","- C44 H52 O13 -","- C88 H104 O26 -","2","1","","Peng, Yu; Luo, Zhen-Biao; Zhang, Jian-Jian; Luo, Long; Wang, Ya-Wen","Collective synthesis of several 2,7'-cyclolignans and their correlation by chemical transformations.","Organic & biomolecular chemistry","2013","11","43","7574","7586","10.1039/c3ob41672k","","","1.5418","CuKα","","0.1727","0.1125","","","0.2977","0.3393","","","","","","1.087","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153171","9.7403","0.0009","12.5649","0.0012","13.0243","0.0012","90.176","0.001","108.72","0.001","109.614","0.001","1411.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(trans, Z)-Diethyl 4-benzoyl-2-((4-bromophenyl)imino)-5- (4-chlorophenyl)dihydrothiophene-3,3 (2H)-dicarboxylate","","- C29 H25 Br Cl N O5 S -","- C29 H25 Br Cl N O5 S -","- C58 H50 Br2 Cl2 N2 O10 S2 -","2","1","","Sun, Yongxian; Yang, Gaosheng; Chai, Zhuo; Mu, Xiaolong; Chai, Jun","AlCl3-promoted [3 + 2] annulation of cis-2,3-disubstituted cyclopropane 1,1-diesters with isothiocyanates: stereoselective synthesis of densely substituted 2-iminodihydrothiophenes.","Organic & biomolecular chemistry","2013","11","45","7859","7868","10.1039/c3ob41678j","","","0.71073","MoKα","","0.1012","0.0719","","","0.2435","0.2769","","","","","","0.984","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153172","11.6091","0.0005","9.1582","0.0004","17.528","0.0007","90","","95.152","0.001","90","","1856.02","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","Li, Ke; Wang, Cheng; Yin, Gang; Gao, Shuanhu","Construction of the basic skeleton of ophiobolin A and variecolin.","Organic & biomolecular chemistry","2013","11","43","7550","7558","10.1039/c3ob41693c","","","0.71073","MoKα","","0.0776","0.0669","","","0.2032","0.2189","","","","","","1.076","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153173","6.8219","0.0002","9.1724","0.0004","9.3248","0.0004","88.1107","0.0017","79.4709","0.0016","80.956","0.002","566.52","0.04","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C26 H36 O6 -","2","1","","Fenlon, Thomas W.; Jones, Michael W.; Adlington, Robert M.; Lee, Victor","Synthesis of rac-Lindenene via a thermally induced cyclopropanation reaction.","Organic & biomolecular chemistry","2013","11","46","8026","8029","10.1039/c3ob41716f","","","0.71073","MoKα","","0.075","0.059","","0.1182","0.1057","0.1182","","","","","","1.0019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153174","11.514","0.0002","7.3456","0.0001","14.5121","0.0003","90","","113.285","0.0008","90","","1127.42","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Fenlon, Thomas W.; Jones, Michael W.; Adlington, Robert M.; Lee, Victor","Synthesis of rac-Lindenene via a thermally induced cyclopropanation reaction.","Organic & biomolecular chemistry","2013","11","46","8026","8029","10.1039/c3ob41716f","","","0.71073","MoKα","","0.0479","0.0375","","0.0924","0.0892","0.0872","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153175","4.979","0.005","10.064","0.011","19.859","0.019","90","","92.52","0.02","90","","994.1","1.8","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 F3 N3 O5 -","- C18 H22 F3 N3 O5 -","- C36 H44 F6 N6 O10 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.1283","","","","0.3614","","","","","","1.197","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153176","12.21","0.008","6.164","0.003","12.946","0.007","90","","99.737","0.012","90","","960.3","0.9","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C46 H44 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.034","","","","0.09","","","","","","0.977","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153177","19.58","0.02","5.868","0.005","19.289","0.017","90","","111.93","0.03","90","","2056","3","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C96 H96 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.0759","","","","0.2055","","","","","","1.031","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153178","10.185","0.007","8.422","0.005","12.404","0.008","90","","111.547","0.012","90","","989.6","1.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C48 H48 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.0613","","","","0.1758","","","","","","1.046","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153179","24.538","0.015","5.643","0.005","11.947","0.009","90","","95.19","0.02","90","","1647","2","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C72 H68 F12 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0695","","","","0.2148","","","","","","0.886","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153180","11.641","0.009","6.185","0.004","11.974","0.009","90","","104.942","0.018","90","","833","1","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C36 H34 F6 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0642","","","","0.1797","","","","","","1.074","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153181","7.735","0.002","14.242","0.004","16.353","0.004","90","","90","","90","","1801.5","0.8","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0412","","","","0.0989","","","","","","0.896","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153182","13.223","0.004","13.332","0.003","17.956","0.004","91.021","0.006","91.959","0.004","114.349","0.008","2880.4","1.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 F3 N2 O7 S -","- C28 H27 F3 N2 O7 S -","- C112 H108 F12 N8 O28 S4 -","4","2","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71073","MoKα","","0.0942","0.0635","","","0.1683","0.2151","","","","","","1.069","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153183","11.1187","0.0013","11.1187","0.0013","22.218","0.003","90","","90","","120","","2378.7","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 31 2 1","P 31 2""","152","","","","- C28 H46 Br2 Fe N2 O5 -","- C28 H46 Br2 Fe N2 O5 -","- C84 H138 Br6 Fe3 N6 O15 -","3","0.5","","Plancq, Baptiste; Lafantaisie, Mathieu; Companys, Simon; Maroun, Cendrella; Ollevier, Thierry","Highly enantioselective iron(ii)-catalyzed opening reaction of aromatic meso-epoxides with indoles.","Organic & biomolecular chemistry","2013","11","43","7463","7466","10.1039/c3ob41782d","","","1.54178","CuKα","","0.072","0.0383","","","0.0563","0.0605","","","","","","1.003","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153184","7.392","0.0011","10.7494","0.0015","25.7003","0.0012","90","","90","","90","","2042.1","0.4","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl F3 N3 O S2 -","- C18 H18 Cl F3 N3 O S2 -","- C72 H72 Cl4 F12 N12 O4 S8 -","4","1","","Mei, Haibo; Xie, Chen; Wu, Lingmin; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric Mannich reactions of imidazo[2,1-b]thiazole-derived nucleophiles with (SS)-N-tert-butanesulfinyl (3,3,3)-trifluoroacetaldimine.","Organic & biomolecular chemistry","2013","11","46","8018","8021","10.1039/c3ob41785a","","","0.71073","MoKα","","0.0459","0.0425","","","0.0974","0.0979","","","","","","1.066","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153185","15.619","0.002","5.927","0.0008","22.055","0.003","90","","101.129","0.002","90","","2003.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O4 S2 -","- C20 H23 N O4 S2 -","- C80 H92 N4 O16 S8 -","4","1","","Zhang, Lingjuan; Xu, Xianxiu; Shao, Qiu-Rong; Pan, Ling; Liu, Qun","Tandem Michael addition/isocyanide insertion into the C-C bond: a novel access to 2-acylpyrroles and medium-ring fused pyrroles.","Organic & biomolecular chemistry","2013","11","42","7393","7399","10.1039/c3ob41793j","","","0.71069","MoKα","","0.0805","0.0463","","","0.1023","0.1162","","","","","","1.018","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153186","12.208","0.005","6.102","0.003","13.056","0.005","90","","111.438","0.007","90","","905.3","0.7","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N O S -","- C18 H27 N O S -","- C36 H54 N2 O2 S2 -","2","1","","Bosque, Irene; Foubelo, Francisco; Gonzalez-Gomez, Jose C","A general protocol to afford enantioenriched linear homoprenylic amines.","Organic & biomolecular chemistry","2013","11","43","7507","7515","10.1039/c3ob41804a","","","0.71073","MoKα","","0.0476","0.0384","","","0.0785","0.0833","","","","","","1.003","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153187","13.458","0.003","15.458","0.003","18.938","0.004","90","","110.181","0.003","90","","3697.9","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Br2 N3 O4 -","- C35 H23 Br2 N3 O2 -","- C140 H92 Br8 N12 O8 -","4","1","","Gerten, Anthony L.; Slade, Michael C.; Pugh, Kelsie M.; Stanley, Levi M.","Catalytic, enantioselective 1,3-dipolar cycloadditions of nitrile imines with methyleneindolinones.","Organic & biomolecular chemistry","2013","11","45","7834","7837","10.1039/c3ob41815d","","","0.71073","MoKα","","0.103","0.0661","","","0.2089","0.2335","","","","","","1.06","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153188","11.6106","0.0002","12.5495","0.0002","18.7424","0.0004","90","","90","","90","","2730.9","0.09","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C33 H30 O6 -","- C33 H30 O6 -","- C132 H120 O24 -","4","1","","Rodrigo, Sanjeewa K.; Powell, Israel V.; Coleman, Michael G.; Krause, Jeanette A.; Guan, Hairong","Efficient and regioselective nickel-catalyzed [2 + 2 + 2] cyclotrimerization of ynoates and related alkynes.","Organic & biomolecular chemistry","2013","11","44","7653","7657","10.1039/c3ob41872c","","","1.54178","CuKα","","0.0539","0.053","","","0.146","0.147","","","","","","1.028","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153189","11.3776","0.0002","15.959","0.0003","26.0724","0.0004","90","","90","","90","","4734.1","0.14","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H24 O6 -","- C30 H24 O6 -","- C240 H192 O48 -","8","1","","Rodrigo, Sanjeewa K.; Powell, Israel V.; Coleman, Michael G.; Krause, Jeanette A.; Guan, Hairong","Efficient and regioselective nickel-catalyzed [2 + 2 + 2] cyclotrimerization of ynoates and related alkynes.","Organic & biomolecular chemistry","2013","11","44","7653","7657","10.1039/c3ob41872c","","","1.54178","CuKα","","0.0454","0.0362","","","0.0924","0.0988","","","","","","1.029","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153190","10.807","0.0004","10.807","0.0004","40.306","0.003","90","","90","","90","","4707.4","0.4","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H26 Br N3 O -","- C26 H26 Br N3 O -","- C208 H208 Br8 N24 O8 -","8","1","","Martínez-Muñoz, Aurora; Monge, David; Martín-Zamora, Eloísa; Marqués-López, Eugenia; Alvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M","Asymmetric organocatalytic Strecker-type reactions of aliphatic N,N-dialkylhydrazones.","Organic & biomolecular chemistry","2013","11","47","8247","8255","10.1039/c3ob41437j","","","0.71073","MoKα","","0.0492","0.0314","","","0.068","0.0741","","","","","","1.008","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153191","10.341","0.002","10.832","0.002","15.797","0.003","90","","100.2","0.03","90","","1741.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C76 H68 N4 O20 S4 -","4","1","","Zhang, Lei; Yu, Hao; Yang, Zhilin; Liu, Honglei; Li, Zhen; Guo, Junhong; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [3 + 2] cycloaddition of Morita-Baylis-Hillman carbonates with sulfamate-derived cyclic imines.","Organic & biomolecular chemistry","2013","11","47","8235","8240","10.1039/c3ob41651h","","","0.71073","MoKα","","0.0568","0.0531","","","0.151","0.1585","","","","","","1.226","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153192","13.3513","0.0016","13.8685","0.0018","14.6594","0.0016","109.672","0.003","99.92","0.003","95.891","0.004","2479.7","0.5","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H64 N2 -","- C60 H64 N2 -","- C120 H128 N4 -","2","1","","Hibi, Daijiro; Kitabayashi, Kenichi; Shimizu, Akihiro; Umeda, Rui; Tobe, Yoshito","Synthesis and physical properties of zethrene derivatives bearing donor/acceptor substituents at 7,14-positions.","Organic & biomolecular chemistry","2013","11","47","8256","8261","10.1039/c3ob41674g","","","0.71075","MoKα","","0.1486","0.0763","","","0.1936","0.2516","","","","","","0.98","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153193","7.981","0.0002","8.997","0.0002","19.1833","0.0005","78.855","0.002","84.93","0.002","88.715","0.002","1346.17","0.06","291","2","291","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H25 N5 O5 -","- C32 H25 N5 O5 -","- C64 H50 N10 O10 -","2","2","","Liu, Jing-Xin; Zhou, Qing-Qing; Deng, Jin-Gen; Chen, Ying-Chun","An asymmetric normal-electron-demand aza-Diels-Alder reaction via trienamine catalysis.","Organic & biomolecular chemistry","2013","11","47","8175","8178","10.1039/c3ob41698d","","","1.54184","CuKα","","0.0361","0.034","","","0.0928","0.0954","","","","","","1.031","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153194","13.319","0.003","16.518","0.004","17.359","0.004","101.304","0.003","95.454","0.003","113.008","0.003","3384.1","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H130 F24 N4 O20 P4 -","- C108 H130 F24 N4 O20 P4 -","- C108 H130 F24 N4 O20 P4 -","1","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.1317","0.1017","","","0.2564","0.2749","","","","","","1.327","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153195","15.192","0.003","23.492","0.005","21.641","0.004","90","","105.57","0.03","90","","7440","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C124 H126 Br4 F24 N4 O20 P4 -","- C124 H126 Br4 F24 N4 O20 P4 -","- C248 H252 Br8 F48 N8 O40 P8 -","2","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.24","0.2053","","","0.5146","0.5444","","","","","","1.866","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153196","13","0.003","30.563","0.006","15.58","0.003","90","","112.39","0.03","90","","5724","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H116 F24 N4 O24 P4 -","- C104 H116 F24 N4 O24 P4 -","- C208 H232 F48 N8 O48 P8 -","2","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.1528","0.1379","","","0.4134","0.4314","","","","","","1.743","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153197","13.353","0.003","14.777","0.003","19.768","0.004","106.3","0.03","101.9","0.03","90.79","0.03","3652.6","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H140 F24 N4 O20 P4 -","- C128 H140 F24 N4 O20 P4 -","- C128 H140 F24 N4 O20 P4 -","1","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.2028","0.1466","","","0.3529","0.3759","","","","","","1.592","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153198","8.32","0.01","28.09","0.03","7.621","0.009","90","","115.891","0.012","90","","1602","3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H16 N0 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","","Long, Lingliang; Zhou, Liping; Wang, Lin; Meng, Suci; Gong, Aihua; Du, Fengyi; Zhang, Chi","A coumarin-based fluorescent probe for biological thiols and its application for living cell imaging.","Organic & biomolecular chemistry","2013","11","47","8214","8220","10.1039/c3ob41741g","","","0.71073","MoKα","","0.0336","0.0308","","","0.0747","0.0768","","","","","","1.056","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153199","8.704","0.0003","10.8569","0.0003","11.589","0.0004","100.578","0.003","103.072","0.003","96.793","0.003","1033.93","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 F12 N4 O8 -","- C40 H34 F12 N4 O8 -","- C40 H34 F12 N4 O8 -","1","0.5","","de Aquino, Roney Anderson Nascimento; Modolo, Luzia Valentina; Alves, Rosemeire Brondi; de Fátima, Angelo","Synthesis, kinetic studies and molecular modeling of novel tacrine dimers as cholinesterase inhibitors.","Organic & biomolecular chemistry","2013","11","48","8395","8409","10.1039/c3ob41762j","","","0.71073","MoKα","","0.0773","0.0541","","","0.1299","0.1484","","","","","","1.038","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153200","9.7578","0.0002","11.2552","0.0003","11.8308","0.0003","115.403","0.002","97.181","0.002","106.9","0.002","1075.12","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 F12 N4 O8 -","- C46 H38 F12 N4 O8 -","- C46 H38 F12 N4 O8 -","1","0.5","","de Aquino, Roney Anderson Nascimento; Modolo, Luzia Valentina; Alves, Rosemeire Brondi; de Fátima, Angelo","Synthesis, kinetic studies and molecular modeling of novel tacrine dimers as cholinesterase inhibitors.","Organic & biomolecular chemistry","2013","11","48","8395","8409","10.1039/c3ob41762j","","","0.71073","MoKα","","0.0688","0.0493","","","0.1312","0.1412","","","","","","1.105","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153201","23.543","0.003","6.2775","0.0008","20.602","0.003","90","","114.078","0.002","90","","2779.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C120 H128 N32 O16 -","8","2","","Chen, Yunfeng; Zhou, Shilei; Ma, Shan; Liu, Wenqian; Pan, Zhiquan; Shi, Xiaodong","A facile synthesis of 5-amino-[1,2,3]triazolo[5,1-a]isoquinoline derivatives through copper-catalyzed cascade reactions.","Organic & biomolecular chemistry","2013","11","47","8171","8174","10.1039/c3ob41774c","","","0.71073","MoKα","","0.0543","0.0397","","","0.1154","0.1373","","","","","","1.046","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153202","7.2363","0.0014","8.068","0.0015","17.736","0.003","90","","113.78","0.007","90","","947.6","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N5 -","- C11 H7 N5 -","- C44 H28 N20 -","4","1","","Chen, Yunfeng; Zhou, Shilei; Ma, Shan; Liu, Wenqian; Pan, Zhiquan; Shi, Xiaodong","A facile synthesis of 5-amino-[1,2,3]triazolo[5,1-a]isoquinoline derivatives through copper-catalyzed cascade reactions.","Organic & biomolecular chemistry","2013","11","47","8171","8174","10.1039/c3ob41774c","","","0.71073","MoKα","","0.0758","0.0596","","","0.1295","0.137","","","","","","1.201","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153203","11.1418","0.0008","7.1748","0.0005","12.9148","0.001","90","","105.564","0.001","90","","994.55","0.13","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N3 O3 -","- C20 H20 Br N3 O3 -","- C40 H40 Br2 N6 O6 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0325","0.0297","","","0.0714","0.0725","","","","","","0.99","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153204","8.9732","0.0008","10.4292","0.0009","25.653","0.002","90","","90","","90","","2400.7","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C23 H32 N4 O5 -","- C23 H32 N4 O5 -","- C92 H128 N16 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1041","0.0502","","","0.1181","0.1394","","","","","","1.025","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153205","7.1599","0.0007","11.846","0.0011","25.16","0.002","90","","90","","90","","2134","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N3 O4 -","- C21 H22 Br N3 O4 -","- C84 H88 Br4 N12 O16 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1049","0.0749","","","0.1234","0.133","","","","","","1.203","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153206","11.016","0.005","7.612","0.003","12.92","0.005","90","","102.13","0.007","90","","1059.2","0.8","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H17 Br F3 N3 O3 -","- C20 H17 Br F3 N3 O3 -","- C40 H34 Br2 F6 N6 O6 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0887","0.0469","","","0.0815","0.0954","","","","","","0.985","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153207","12.842","0.0019","7.0231","0.001","13.3863","0.0019","90","","90.547","0.003","90","","1207.3","0.3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 Br N3 O4 -","- C23 H26 Br N3 O4 -","- C46 H52 Br2 N6 O8 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1592","0.1045","","","0.1381","0.1533","","","","","","1.203","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153208","8.547","0.005","9.694","0.005","22.943","0.012","90","","90","","90","","1900.9","1.8","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.049","0.0479","","","0.1241","0.1257","","","","","","1.042","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153209","10.6231","0.0007","10.9569","0.0007","19.528","0.0012","90","","90","","90","","2273","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C24 H28 N2 O5 -","- C24 H28 N2 O5 -","- C96 H112 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0507","0.0402","","","0.0897","0.0946","","","","","","1.066","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153210","8.111","0.002","9.756","0.002","20.126","0.006","90","","90","","90","","1592.6","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0405","0.0353","","","0.0796","0.0823","","","","","","1.031","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153211","7.4115","0.0004","16.548","0.0009","19.3577","0.0011","90","","90","","90","","2374.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C100 H136 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0464","0.0442","","","0.1039","0.1054","","","","","","1.09","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153212","8.3515","0.0008","9.6398","0.0009","22.979","0.002","90","","90","","90","","1850","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0527","0.043","","","0.1081","0.115","","","","","","1.062","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153213","8.173","0.005","13.001","0.008","17.35","0.011","90","","90","","90","","1844","2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0663","0.0488","","","0.1005","0.1084","","","","","","1.117","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7153214","9.7071","0.0002","11.1189","0.0002","18.7507","0.0003","81.223","0.001","76.878","0.001","72.985","0.001","1876.61","0.06","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H55 N O3 Si -","- C42 H55 N O3 Si -","- C84 H110 N2 O6 Si2 -","2","1","","Zhang, Yun-Xiao; Zhang, An-Qi; Tian, Jie-Sheng; Loh, Teck-Peng","Diastereoselective oxidative α-amination of aliphatic aldehydes catalyzed by iodine: synthesis of syn-γ-hydroxy-α-amino acetals.","Organic & biomolecular chemistry","2013","11","48","8387","8394","10.1039/c3ob42043d","","","0.71073","MoKα","","0.0461","0.0372","","","0.099","0.1094","","","","","","1.071","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153215","18.522","0.004","11.47","0.003","20.22","0.005","90","","90","","90","","4295.7","1.8","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H34 S4 -","- C20 H34 S4 -","- C160 H272 S32 -","8","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71073","MoKα","","0.0781","0.0467","","","0.1307","0.1693","","","","","","0.707","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153216","7.101","0.005","36.72","0.03","8.124","0.005","90","","97.633","0.015","90","","2100","3","125","","125","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H34 S4 -","- C20 H34 S4 -","- C80 H136 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0616","","","","0.2222","","","","","","1.163","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153217","23.528","0.007","9.944","0.003","10.012","0.004","90","","97.812","0.009","90","","2320.7","1.4","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 S4 -","- C22 H38 S4 -","- C88 H152 S16 -","4","0.5","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0358","","","","0.1309","","","","","","0.613","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153218","10.897","0.004","10.212","0.004","19.565","0.006","90","","96.714","0.009","90","","2162.3","1.3","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 S4 -","- C20 H36 S4 -","- C80 H144 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0503","","","","0.1212","","","","","","1.035","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153219","6.748","0.005","17.135","0.012","19.118","0.013","90","","92.551","0.019","90","","2208","3","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 S4 -","- C20 H36 S4 -","- C80 H144 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","1.54187","CuKα","","","0.1106","","","","0.3265","","","","","","1.061","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153220","12.281","0.004","11.346","0.004","17.065","0.006","90","","92.239","0.009","90","","2376","1.4","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 S4 -","- C22 H40 S4 -","- C88 H160 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0656","","","","0.2642","","","","","","0.807","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153221","23.971","0.008","9.904","0.003","9.922","0.003","90","","98.697","0.009","90","","2328.5","1.3","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 S4 -","- C22 H40 S4 -","- C88 H160 S16 -","4","0.5","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.045","","","","0.1126","","","","","","1.059","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153222","8.785","0.007","9.455","0.007","9.834","0.007","98.507","0.01","105.386","0.009","112.507","0.012","698.4","0.9","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H24 F4 -","- C14 H24 F4 -","- C28 H48 F8 -","2","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0914","","","","0.3114","","","","","","1.08","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153223","9.886","0.004","18.957","0.007","15.41","0.006","90","","102.154","0.014","90","","2823.2","1.9","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 F4 -","- C14 H24 F4 -","- C112 H192 F32 -","8","2","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","1.54187","CuKα","","","0.0524","","","","0.1564","","","","","","1.036","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153224","15.661","0.003","11.1268","0.0016","9.4295","0.0013","90","","94.714","0.005","90","","1637.6","0.5","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 F4 -","- C16 H28 F4 -","- C64 H112 F16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","1.54187","CuKα","","","0.0505","","","","0.1249","","","","","","1.217","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153225","8.9168","0.0016","21.949","0.004","9.1106","0.0018","90","","114.469","0.008","90","","1622.9","0.5","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 F4 -","- C16 H28 F4 -","- C64 H112 F16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0857","","","","0.2676","","","","","","1.024","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153226","25.2548","0.0018","16.7371","0.0009","13.4129","0.001","90","","101.541","0.007","90","","5554.9","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C54 H46 Cl2 N4 O4 -","- C54.001 H46 Cl2 N4 O4 -","- C216.004 H184 Cl8 N16 O16 -","4","1","","Yang, Li; Qin, Song; Su, Xiaoyu; Yang, Fei; You, Jingsong; Hu, Changwei; Xie, Rugang; Lan, Jingbo","1,1'-Binaphthyl-based imidazolium chemosensors for highly selective recognition of tryptophan in aqueous solutions.","Organic & biomolecular chemistry","2010","8","2","339","348","10.1039/b908540h","","x-ray","0.71073","MoKα","","0.1068","0.0621","","","0.1277","0.1347","","","","","","1.085","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7153227","6.1849","0.0008","18.082","0.002","8.9343","0.0011","90","","100.122","0.002","90","","983.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 F2 N2 O3 S -","- C8 H8 F2 N2 O3 S -","- C32 H32 F8 N8 O12 S4 -","4","1","","Zheng, Feng; Fu, Lin; Wang, Renxiao; Qing, Feng-Ling","Synthesis and conformational analysis of d-2'-deoxy-2',2'-difluoro-4'-dihydro-4'-thionucleosides.","Organic & biomolecular chemistry","2010","8","1","163","170","10.1039/b914679b","","","0.71073","MoKα","","0.0597","0.0433","","","0.111","0.1168","","","","","","1.025","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153228","7.8254","0.0008","19.61","0.002","22.533","0.003","90","","90","","90","","3457.8","0.7","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Chloro-2-nitro-1-phenylpropyl)-4-methylbenzenesulfonamide","","- C16 H17 Cl N2 O4 S -","- C16 H17 Cl N2 O4 S -","- C128 H136 Cl8 N16 O32 S8 -","8","1","","Zhi, San-Jun; Sun, Hao; Zhang, Guangqian; Li, Guigen; Pan, Yi","New catalytic system for aminohalogenation of beta-methyl-beta-nitrostyrenes to give opposite regiochemistry.","Organic & biomolecular chemistry","2010","8","3","628","631","10.1039/b914944a","","","0.71073","MoKα","","0.0782","0.0563","","","0.1203","0.1251","","","","","","1.012","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153229","7.118","0.001","11.118","0.001","12.171","0.001","94.46","0.01","107.28","0.01","93.94","0.01","912.65","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 Cl2 N3 O -","- C19 H25 Cl2 N3 O -","- C38 H50 Cl4 N6 O2 -","2","1","","Kracht, Daniel; Rack, Elisabeth; Schepmann, Dirk; Fröhlich, Roland; Wünsch, Bernhard","Stereoselective synthesis and structure-affinity relationships of bicyclic kappa receptor agonists.","Organic & biomolecular chemistry","2010","8","1","212","225","10.1039/b915180j","","","1.54178","CuKα","","0.0796","0.0614","","","0.1826","0.2035","","","","","","1.047","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153230","9.803","0.002","11.37","0.003","14.533","0.003","69.857","0.009","76.385","0.009","75.17","0.011","1450.6","0.6","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","2","","Voûte, Nicholas; Philp, Douglas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","Studies on the Claisen rearrangements in the indolo[2,3-b]quinoline system.","Organic & biomolecular chemistry","2010","8","2","442","450","10.1039/b915677a","","","0.71073","MoKα","","0.0866","0.0663","","","0.1555","0.1717","","","","","","1.069","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153231","11.332","0.003","17.217","0.004","7.5306","0.0019","90","","107.218","0.007","90","","1403.4","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Voûte, Nicholas; Philp, Douglas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","Studies on the Claisen rearrangements in the indolo[2,3-b]quinoline system.","Organic & biomolecular chemistry","2010","8","2","442","450","10.1039/b915677a","","","0.71073","MoKα","","0.0593","0.051","","","0.1329","0.14","","","","","","1.055","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153232","8.7486","0.0017","9.3067","0.0019","13.714","0.003","101.33","0.03","99.93","0.03","90.56","0.03","1077.3","0.4","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H21 Br N2 O -","- C26 H21 Br N2 O -","- C52 H42 Br2 N4 O2 -","2","2","","Voûte, Nicholas; Philp, Douglas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","Studies on the Claisen rearrangements in the indolo[2,3-b]quinoline system.","Organic & biomolecular chemistry","2010","8","2","442","450","10.1039/b915677a","","","0.71073","MoKα","","0.0775","0.0621","","","0.1269","0.1376","","","","","","1.003","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153233","9.5924","0.0003","12.9905","0.0003","15.0218","0.0004","90","","90","","90","","1871.87","0.09","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 Cl N O2 S -","- C19 H28 Cl N O2 S -","- C76 H112 Cl4 N4 O8 S4 -","4","1","","Dobbs, Adrian P.; Guesné, Sebastien J J; Parker, Robert J.; Skidmore, John; Stephenson, Richard A.; Hursthouse, Mike B.","A detailed investigation of the aza-Prins reaction.","Organic & biomolecular chemistry","2010","8","5","1064","1080","10.1039/b915797b","","","0.71073","MoKα","","0.0516","0.0376","","","0.0826","0.0886","","","","","","1.038","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153234","24.2931","0.0008","11.7455","0.0003","14.3281","0.0004","90","","105.602","0.002","90","","3937.7","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 Cl N O2 S -","- C21 H26 Cl N O2 S -","- C168 H208 Cl8 N8 O16 S8 -","8","1","","Dobbs, Adrian P.; Guesné, Sebastien J J; Parker, Robert J.; Skidmore, John; Stephenson, Richard A.; Hursthouse, Mike B.","A detailed investigation of the aza-Prins reaction.","Organic & biomolecular chemistry","2010","8","5","1064","1080","10.1039/b915797b","","","0.71073","MoKα","","0.083","0.0494","","","0.1195","0.1356","","","","","","1.062","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153235","15.4076","0.0003","12.9924","0.0004","9.38","0.0003","90","","90","","90","","1877.7","0.09","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H28 Cl N O2 S -","- C19 H28 Cl N O2 S -","- C76 H112 Cl4 N4 O8 S4 -","4","1","","Dobbs, Adrian P.; Guesné, Sebastien J J; Parker, Robert J.; Skidmore, John; Stephenson, Richard A.; Hursthouse, Mike B.","A detailed investigation of the aza-Prins reaction.","Organic & biomolecular chemistry","2010","8","5","1064","1080","10.1039/b915797b","","","0.71073","MoKα","","0.0743","0.0699","","","0.1726","0.1761","","","","","","1.074","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153236","26.5105","0.0024","8.1629","0.0004","27.3038","0.0015","90","","90.2","0.002","90","","5908.6","0.7","100","2","100","2","","","","","","","synthesis as described","5","I 1 2 1","I 2y","5","","","","- C31 H32 N4 O5 S2 -","- C31 H32 N4 O5 S2 -","- C248 H256 N32 O40 S16 -","8","2","","López, Miguel Vázquez; Bermejo, Manuel R.; Vázquez, M Eugenio; Taglietti, Angelo; Zaragoza, Guillermo; Pedrido, Rosa; Martínez-Calvo, Miguel","Sulfonamide-imines as selective fluorescent chemosensors for the fluoride anion.","Organic & biomolecular chemistry","2010","8","2","357","362","10.1039/b916040j","","x-ray","0.7107","MoKα","","0.0905","0.0561","","","0.1045","0.1147","","","","","","1.004","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153237","10.4058","0.0002","19.7769","0.0004","18.4439","0.0002","90","","97.88","0.001","90","","3759.81","0.11","120","2","120","2","","","","","","","Claudia Caltagirone","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 Br2 Cl4 N10 -","- C72 H94 Br2 Cl4 N10 -","- C144 H188 Br4 Cl8 N20 -","2","0.5","","Caltagirone, Claudia; Bill, Nathan L.; Gross, Dustin E.; Light, Mark E.; Sessler, Jonathan L.; Gale, Philip A.","Bis-cation salt complexation by meso-octamethylcalix[4]pyrrole: linking complexes in solution and in the solid state.","Organic & biomolecular chemistry","2010","8","1","96","99","10.1039/b916113a","","","0.71073","MoKα","","0.0673","0.0501","","","0.1137","0.1213","","","","","","1.03","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153238","10.8396","0.0002","16.6349","0.0003","18.3543","0.0004","90","","105.08","0.001","90","","3195.6","0.11","120","2","120","2","","","","","","","Claudia Caltagirone","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H94 Br2 N10 -","- C72 H94 Br2 N10 -","- C144 H188 Br4 N20 -","2","0.5","","Caltagirone, Claudia; Bill, Nathan L.; Gross, Dustin E.; Light, Mark E.; Sessler, Jonathan L.; Gale, Philip A.","Bis-cation salt complexation by meso-octamethylcalix[4]pyrrole: linking complexes in solution and in the solid state.","Organic & biomolecular chemistry","2010","8","1","96","99","10.1039/b916113a","","","0.71073","MoKα","","0.097","0.063","","","0.1066","0.12","","","","","","1.147","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153239","10.8915","0.0007","16.6068","0.0012","18.233","0.0011","90","","103.519","0.004","90","","3206.5","0.4","120","2","120","2","","","","","","","Claudia Caltagirone","4","P 1 21/n 1","-P 2yn","14","","","","- C70 H96 Br2 N12 -","- C70 H96 Br2 N12 -","- C140 H192 Br4 N24 -","2","0.5","","Caltagirone, Claudia; Bill, Nathan L.; Gross, Dustin E.; Light, Mark E.; Sessler, Jonathan L.; Gale, Philip A.","Bis-cation salt complexation by meso-octamethylcalix[4]pyrrole: linking complexes in solution and in the solid state.","Organic & biomolecular chemistry","2010","8","1","96","99","10.1039/b916113a","","","0.71073","MoKα","","0.1118","0.0618","","","0.1107","0.1274","","","","","","0.983","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153240","16.861","0.015","4.981","0.004","16.109","0.014","90","","112.087","0.014","90","","1253.6","1.9","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C12 H20 O5 -","- C12 H20 O5 -","- C48 H80 O20 -","4","1","","Giri, Awadut G.; Mondal, Mohabul A.; Puranik, Vedavati G.; Ramana, Chepuri V.","Effect of the allylic substituents on ring closing metathesis: the total synthesis of stagonolide B and 4-epi-stagonolide B.","Organic & biomolecular chemistry","2010","8","2","398","406","10.1039/b916198h","","","0.71073","MoKα","","0.149","0.072","","","0.1554","0.1731","","","","","","0.835","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153241","8.4448","0.0011","13.4134","0.0017","16.115","0.002","90","","92.538","0.002","90","","1823.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O5 -","- C20 H16 N2 O5 -","- C80 H64 N8 O20 -","4","1","","Raveendran, Anabha E.; Paul, Rony Rajan; Suresh, Eringathodi; Nair, Vijay","Nucleophilic heterocyclic carbene as a novel catalyst for cyclopropanation of cyano acrylates.","Organic & biomolecular chemistry","2010","8","4","901","905","10.1039/b916343c","","","0.71073","MoKα","","0.099","0.0767","","","0.1648","0.1759","","","","","","1.153","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153242","11.6708","0.0009","11.6708","0.0009","8.9661","0.0014","90","","90","","120","","1057.6","0.2","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C14 H18 O4 S -","- C14 H18 O4 S -","- C42 H54 O12 S3 -","3","1","","O'Byrne, Aisling; Murray, Cian; Keegan, Dearbhla; Palacio, Carole; Evans, Paul; Morgan, Ben S.","The thio-adduct facilitated, enzymatic kinetic resolution of 4-hydroxycyclopentenone and 4-hydroxycyclohexenone.","Organic & biomolecular chemistry","2010","8","3","539","545","10.1039/b916506a","","","0.71073","MoKα","","0.0359","0.0315","","","0.072","0.0735","","","","","","1.045","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153243","7.6102","0.0009","8.2782","0.001","8.3471","0.0009","111.026","0.002","99.798","0.002","115.264","0.002","410.05","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H22 O5 S -","- C17 H22 O5 S -","- C17 H22 O5 S -","1","1","","O'Byrne, Aisling; Murray, Cian; Keegan, Dearbhla; Palacio, Carole; Evans, Paul; Morgan, Ben S.","The thio-adduct facilitated, enzymatic kinetic resolution of 4-hydroxycyclopentenone and 4-hydroxycyclohexenone.","Organic & biomolecular chemistry","2010","8","3","539","545","10.1039/b916506a","","","0.71073","MoKα","","0.0397","0.0361","","","0.0809","0.0826","","","","","","1.05","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153244","8.3304","0.0016","9.1897","0.0018","13.096","0.003","92.955","0.004","97.382","0.004","108.536","0.004","938.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 Cl N3 -","- C20 H22 Cl N3 -","- C40 H44 Cl2 N6 -","2","1","","Basurto, Sara; Miguel, Daniel; Moreno, Daniel; Neo, Ana G.; Quesada, Roberto; Torroba, Tomás","Simple 1-dicyanomethylene-2-chloro-3-aminoindene push-pull chromophores: applications in cation and anion sensing.","Organic & biomolecular chemistry","2010","8","3","552","558","10.1039/b916700e","","","0.71073","MoKα","","0.0874","0.0635","","","0.1733","0.1891","","","","","","1.038","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153245","9.8316","0.0004","12.1236","0.0005","8.8033","0.0003","90","","92.17","0.002","90","","1048.55","0.07","298","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Acetoxy-2,6-dichloro-benzamide","N-Acetoxy-2,6-dichloro-benzamide","","- C9 H7 Cl2 N O3 -","- C9 H7 Cl2 N O3 -","- C36 H28 Cl8 N4 O12 -","4","1","","Ghosh, Harisadhan; Patel, Bhisma K.","Hypervalent iodine(III)-mediated oxidation of aldoximes to N-acetoxy or N-hydroxy amides.","Organic & biomolecular chemistry","2010","8","2","384","390","10.1039/b917096k","","","0.71073","MoKα","","0.035","0.0299","","","0.0753","0.0779","","","","","","1.046","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153246","12.626","0.007","14.165","0.009","27.564","0.017","84.204","0.01","77.246","0.008","72.121","0.009","4573","5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H135 N16 O22.5 S0.5 -","- C87 H135 N16 O22.5 S0.5 -","- C174 H270 N32 O45 S -","2","1","","Edwards, Peter R.; Hiscock, Jennifer R.; Gale, Philip A.; Light, Mark E.","Carbamate complexation by urea-based receptors: studies in solution and the solid state.","Organic & biomolecular chemistry","2010","8","1","100","106","10.1039/b917140a","","","0.6889","synchrotron","","0.0854","0.0649","","","0.1813","0.1936","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153247","11.497","0.002","9.1335","0.0012","11.666","0.002","90","","101.688","0.002","90","","1199.6","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H30 O6 -","- C28 H30 O6 -","- C56 H60 O12 -","2","1","","Sadeghi-Khomami, Ali; Forcada, Tatiana J.; Wilson, Claire; Sanders, David A. R.; Thomas, Neil R.","The UDP-Galp mutase catalyzed isomerization: synthesis and evaluation of 1,4-anhydro-beta-D-galactopyranose and its [2.2.2] methylene homologue.","Organic & biomolecular chemistry","2010","8","7","1596","1602","10.1039/b917409e","","","0.71073","MoKα","","0.0412","0.0409","","","0.1006","0.101","","","","","","1.082","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153248","13.6458","0.001","5.7353","0.0003","19.9386","0.0014","90","","106.548","0.008","90","","1495.82","0.18","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(6-Methoxynaphthalen-2-yl)-4H-thiochromen-4-one","","","- C20 H14 O2 S -","- C20 H14 O2 S -","- C80 H56 O8 S4 -","4","1","","Willy, Benjamin; Frank, Walter; Müller, Thomas J J","Microwave-assisted three-component coupling-addition-S(N)Ar (CASNAR) sequences to annelated 4H-thiopyran-4-ones.","Organic & biomolecular chemistry","2010","8","1","90","95","10.1039/b917627f","","","0.71073","MoKα","","0.0618","0.0444","","","0.0903","0.093","","","","","","0.994","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153249","8.2503","0.0009","22.33","0.003","10.694","0.002","90","","103.4","0.03","90","","1916.5","0.5","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-Cyclopropyl-4H-thiopyrano(2,3-b)pyridin-4-one","2-Cyclopropyl-4H-thiopyrano[2,3-b]pyridin-4-one","","- C11 H9 N O S -","- C11 H9 N O S -","- C88 H72 N8 O8 S8 -","8","2","","Willy, Benjamin; Frank, Walter; Müller, Thomas J J","Microwave-assisted three-component coupling-addition-S(N)Ar (CASNAR) sequences to annelated 4H-thiopyran-4-ones.","Organic & biomolecular chemistry","2010","8","1","90","95","10.1039/b917627f","","","0.71073","MoKα","","0.1429","0.0423","","","0.0469","0.0532","","","","","","0.848","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153250","24.1936","0.0006","9.7612","0.0002","24.6066","0.0006","90","","114.902","0.001","90","","5270.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 O5 P2 -","- C24 H36 O5 P2 -","- C192 H288 O40 P16 -","8","2","","Afarinkia, Kamyar; Royappa, Martin; Scowen, Ian J.; Steed, Jonathan W.; Yu, Hiu-Wan","A synthesis of oligomeric alpha-hydroxy phenylphosphinates and a study of the conformational preferences of the dimers.","Organic & biomolecular chemistry","2010","8","3","600","606","10.1039/b917737j","","","0.71073","MoKα","","0.0945","0.0518","","","0.1426","0.1586","","","","","","1.109","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153251","9.1386","0.0002","11.9523","0.0002","12.7388","0.0003","113.903","0.001","96.494","0.001","91.658","0.001","1259.64","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 O5 P2 -","- C23 H34 O5 P2 -","- C46 H68 O10 P4 -","2","1","","Afarinkia, Kamyar; Royappa, Martin; Scowen, Ian J.; Steed, Jonathan W.; Yu, Hiu-Wan","A synthesis of oligomeric alpha-hydroxy phenylphosphinates and a study of the conformational preferences of the dimers.","Organic & biomolecular chemistry","2010","8","3","600","606","10.1039/b917737j","","","0.71073","MoKα","","0.0665","0.0404","","","0.1037","0.1227","","","","","","1.047","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153252","20.3573","0.0004","20.3573","0.0004","31.9361","0.0012","90","","90","","120","","11461.8","0.5","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","04srv178 - HY/5/35-Fr50-r","","","- C23 H34 O5 P2 -","- C23 H34 O5 P2 -","- C414 H612 O90 P36 -","18","1","","Afarinkia, Kamyar; Royappa, Martin; Scowen, Ian J.; Steed, Jonathan W.; Yu, Hiu-Wan","A synthesis of oligomeric alpha-hydroxy phenylphosphinates and a study of the conformational preferences of the dimers.","Organic & biomolecular chemistry","2010","8","3","600","606","10.1039/b917737j","","","0.71073","MoKα","","0.0637","0.0455","","","0.101","0.1088","","","","","","1.046","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153253","8.6935","0.0007","23.972","0.002","24.195","0.002","73.726","0.005","88.844","0.005","88.865","0.005","4838.7","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 O5 P2 -","- C23 H34 O5 P2 -","- C184 H272 O40 P16 -","8","4","","Afarinkia, Kamyar; Royappa, Martin; Scowen, Ian J.; Steed, Jonathan W.; Yu, Hiu-Wan","A synthesis of oligomeric alpha-hydroxy phenylphosphinates and a study of the conformational preferences of the dimers.","Organic & biomolecular chemistry","2010","8","3","600","606","10.1039/b917737j","","","0.71073","MoKα","","0.1964","0.0698","","","0.1404","0.1694","","","","","","0.989","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153254","11.2977","0.0016","6.6557","0.0009","13.778","0.002","90","","111.676","0.013","90","","962.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","","Petrova, Tetyana; Tarabara, Igor; Palchikov, Vitaliy; Kasyan, Liliya; Kosenkov, Dmytro; Okovytyy, Sergiy; Gorb, Leonid; Shishkina, Svetlana; Shishkin, Oleg; Leszczynski, Jerzy","Ethanolysis of N-substituted norbornane epoxyimides: discovery of diverse pathways depending on substituent's character.","Organic & biomolecular chemistry","2010","8","9","2142","2157","10.1039/b917850c","","","0.71073","MoKα","","0.0402","0.0353","","","0.0954","0.0994","","","","","","1.075","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153255","11.5561","0.0015","11.706","0.0016","27.578","0.003","90","","90","","90","","3730.6","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C152 H200 N8 O40 -","8","1","","Petrova, Tetyana; Tarabara, Igor; Palchikov, Vitaliy; Kasyan, Liliya; Kosenkov, Dmytro; Okovytyy, Sergiy; Gorb, Leonid; Shishkina, Svetlana; Shishkin, Oleg; Leszczynski, Jerzy","Ethanolysis of N-substituted norbornane epoxyimides: discovery of diverse pathways depending on substituent's character.","Organic & biomolecular chemistry","2010","8","9","2142","2157","10.1039/b917850c","","","0.71073","MoKα","","0.1482","0.07","","","0.1719","0.2005","","","","","","0.882","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153256","7.2192","0.0013","9.064","0.002","11.0633","0.0016","73.995","0.018","80.033","0.014","73.38","0.02","663.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C30 H28 N4 O12 -","2","1","","Petrova, Tetyana; Tarabara, Igor; Palchikov, Vitaliy; Kasyan, Liliya; Kosenkov, Dmytro; Okovytyy, Sergiy; Gorb, Leonid; Shishkina, Svetlana; Shishkin, Oleg; Leszczynski, Jerzy","Ethanolysis of N-substituted norbornane epoxyimides: discovery of diverse pathways depending on substituent's character.","Organic & biomolecular chemistry","2010","8","9","2142","2157","10.1039/b917850c","","","0.71073","MoKα","","0.0406","0.0337","","","0.0904","0.0929","","","","","","1.076","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153257","21.273","0.01","17.264","0.009","38.427","0.019","90","","101.735","0.007","90","","13818","12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H84.14 Cl N29 O24.07 -","- C54 H64 Cl N29 O24.065 -","- C432 H512 Cl8 N232 O192.52 -","8","2","","McInnes, Fiona J.; Anthony, Nahoum G.; Kennedy, Alan R.; Wheate, Nial J.","Solid state stabilisation of the orally delivered drugs atenolol, glibenclamide, memantine and paracetamol through their complexation with cucurbit[7]uril.","Organic & biomolecular chemistry","2010","8","4","765","773","10.1039/b918372h","","","0.6889","synchrotron","","0.1242","0.0793","","","0.2141","0.2513","","","","","","1.043","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153258","6.9","0.002","7.365","0.002","8.819","0.002","83.78","0.02","86.06","0.02","84.78","0.02","442.9","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C16 H28 N4 O4 -","2","1","","Thiverny, Maryse; Philouze, Christian; Chavant, Pierre Yves; Blandin, Véronique","MiPNO, a new chiral cyclic nitrone for enantioselective amino acid synthesis: the cycloaddition approach.","Organic & biomolecular chemistry","2010","8","4","864","872","10.1039/b918612c","","","0.71073","MoKα","","0.0533","0.0533","","0.0867","","0.0867","","","1.935","","","1.935","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153259","10.08","0.003","9.129","0.004","11.61","0.003","90","","112.49","0.03","90","","987.1","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N3 O5 -","- C19 H27 N3 O5 -","- C38 H54 N6 O10 -","2","1","","Thiverny, Maryse; Philouze, Christian; Chavant, Pierre Yves; Blandin, Véronique","MiPNO, a new chiral cyclic nitrone for enantioselective amino acid synthesis: the cycloaddition approach.","Organic & biomolecular chemistry","2010","8","4","864","872","10.1039/b918612c","","","1.54178","CuKα","","0.0531","0.0531","","0.0921","","0.0921","","","1.948","","","1.948","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153260","4.9234","0.0002","9.5712","0.0002","17.319","0.0006","90","","90","","90","","816.12","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 N O4 Se -","- C7 H7 N O4 Se -","- C28 H28 N4 O16 Se4 -","4","1","","Yu, Sun-Chol; Kuhn, Hartmut; Daniliuc, Constantin-Gabriel; Ivanov, Igor; Jones, Peter G.; du Mont, Wolf-Walther","5-Selenization of salicylic acid derivatives yielded isoform-specific 5-lipoxygenase inhibitors.","Organic & biomolecular chemistry","2010","8","4","828","834","10.1039/b918778b","","","0.71073","MoKα","","0.0239","0.0195","","","0.0348","0.0351","","","","","","0.934","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153261","11.9653","0.0004","5.1029","0.0002","17.4167","0.0008","90","","110.947","0.004","90","","993.14","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O5 Se -","- C9 H10 O5 Se -","- C36 H40 O20 Se4 -","4","1","","Yu, Sun-Chol; Kuhn, Hartmut; Daniliuc, Constantin-Gabriel; Ivanov, Igor; Jones, Peter G.; du Mont, Wolf-Walther","5-Selenization of salicylic acid derivatives yielded isoform-specific 5-lipoxygenase inhibitors.","Organic & biomolecular chemistry","2010","8","4","828","834","10.1039/b918778b","","","0.71073","MoKα","","0.0299","0.0208","","","0.0456","0.0463","","","","","","0.928","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153262","5.161","0.0002","17.4964","0.0008","10.2112","0.0006","90","","90.578","0.004","90","","922.01","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O5 Se -","- C8 H8 O5 Se -","- C32 H32 O20 Se4 -","4","1","","Yu, Sun-Chol; Kuhn, Hartmut; Daniliuc, Constantin-Gabriel; Ivanov, Igor; Jones, Peter G.; du Mont, Wolf-Walther","5-Selenization of salicylic acid derivatives yielded isoform-specific 5-lipoxygenase inhibitors.","Organic & biomolecular chemistry","2010","8","4","828","834","10.1039/b918778b","","","1.54184","CuKα","","0.025","0.0247","","","0.062","0.0621","","","","","","1.115","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153263","11.3765","0.0003","20.5459","0.0005","14.0307","0.0003","90","","108.148","0.002","90","","3116.4","0.13","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H41 F26 O5 P2 Ru Sb -","- C61 H41 F26 O5 P2 Ru Sb -","- C122 H82 F52 O10 P4 Ru2 Sb2 -","2","1","","Bădoiu, Andrei; Bernardinelli, Gerald; Besnard, Céline; Kündig, E Peter","Asymmetric ruthenium-catalyzed 1,4-additions of aryl thiols to enones.","Organic & biomolecular chemistry","2010","8","1","193","200","10.1039/b918877k","","","0.71073","MoKα","","0.0201","0.0186","","0.0382","0.0376","0.0381","","","","","","0.9849","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153264","11.3765","0.0003","20.5459","0.0005","14.0307","0.0003","90","","108.148","0.002","90","","3116.4","0.13","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H41 F26 O5 P2 Ru Sb -","- C61 H41 F26 O5 P2 Ru Sb -","- C122 H82 F52 O10 P4 Ru2 Sb2 -","2","1","","Bădoiu, Andrei; Bernardinelli, Gerald; Besnard, Céline; Kündig, E Peter","Asymmetric ruthenium-catalyzed 1,4-additions of aryl thiols to enones.","Organic & biomolecular chemistry","2010","8","1","193","200","10.1039/b918877k","","","0.71073","MoKα","","0.0317","0.0274","","0.0652","0.0644","0.0652","","","","","","0.8884","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153265","8.11924","0.00019","10.0431","0.0002","16.0275","0.0004","90","","96.047","0.002","90","","1299.65","0.05","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Cl N O2 P -","- C12 H17 Cl N O2 P -","- C48 H68 Cl4 N4 O8 P4 -","4","1","","Volle, Jean-Noël; Filippini, Damien; Krawczy, Bartlomiej; Kaloyanov, Nikolay; Van der Lee, Arie; Maurice, Tangui; Pirat, Jean-Luc; Virieux, David","Drug discovery: phosphinolactone, in vivo bioisostere of the lactol group.","Organic & biomolecular chemistry","2010","8","6","1438","1444","10.1039/b919345f","","","0.71073","MoKα","","0.0373","0.0303","","0.0336","0.0304","0.0304","","","","","","1.0791","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153266","13.4636","0.001","8.4643","0.0004","12.303","0.0009","90","","113.455","0.009","90","","1286.2","0.17","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N O2 P -","- C12 H18 N O2 P -","- C48 H72 N4 O8 P4 -","4","1","","Volle, Jean-Noël; Filippini, Damien; Krawczy, Bartlomiej; Kaloyanov, Nikolay; Van der Lee, Arie; Maurice, Tangui; Pirat, Jean-Luc; Virieux, David","Drug discovery: phosphinolactone, in vivo bioisostere of the lactol group.","Organic & biomolecular chemistry","2010","8","6","1438","1444","10.1039/b919345f","","","0.7107","MoKα","","0.1011","0.0266","","0.0278","0.0274","0.0274","","","","","","1.1304","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153267","13.4738","0.0006","8.3372","0.0004","12.4129","0.0006","90","","92.615","0.004","90","","1392.94","0.11","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Cl N O2 P -","- C12 H17 Cl N O2 P -","- C48 H68 Cl4 N4 O8 P4 -","4","1","","Volle, Jean-Noël; Filippini, Damien; Krawczy, Bartlomiej; Kaloyanov, Nikolay; Van der Lee, Arie; Maurice, Tangui; Pirat, Jean-Luc; Virieux, David","Drug discovery: phosphinolactone, in vivo bioisostere of the lactol group.","Organic & biomolecular chemistry","2010","8","6","1438","1444","10.1039/b919345f","","","0.71073","MoKα","","0.0715","0.0432","","0.0508","0.0465","0.0465","","","","","","1.0943","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153268","15.227","0.003","15.372","0.003","16.161","0.003","90","","92.447","0.003","90","","3779.3","1.3","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H50 S10 -","- C80 H50 S10 -","- C160 H100 S20 -","2","0.5","","Baldridge, Kim K.; Hardcastle, Kenneth I.; Seiders, T. Jon; Siegel, Jay S.","Synthesis, structure and properties of decakis(phenylthio)corannulene.","Organic & biomolecular chemistry","2010","8","1","53","55","10.1039/b919616a","","","0.71073","MoKα","","0.2242","0.0802","","","0.1485","0.1743","","","","","","1.009","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153269","9.7798","0.0003","11.4208","0.0003","15.9407","0.0005","90","","122.215","0.001","90","","1506.37","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F6 N P -","- C16 H14 F6 N P -","- C64 H56 F24 N4 P4 -","4","1","","Swinburne, Adam N.; Paterson, Martin J.; Beeby, Andrew; Steed, Jonathan W.","A quinolinium-derived turn-off fluorescent anion sensor.","Organic & biomolecular chemistry","2010","8","5","1010","1016","10.1039/b919821k","","","0.71073","MoKα","","0.1022","0.0455","","","0.0878","0.1087","","","","","","0.995","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153270","36.354","0.007","6.0133","0.0011","16.828","0.003","90","","117.068","0.003","90","","3275.8","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C144 H168 N12 O36 -","6","1.5","","Boyd, D. R.; Sharma, N. D.; Sbircea, L.; Murphy, D.; Malone, J. F.; James, S. L.; Allen, C. C. R.; Hamilton, J. T. G.","Chemoenzymatic synthesis of chiral 2,2'-bipyridine ligands and their N-oxide derivatives: applications in the asymmetric aminolysis of epoxides and asymmetric allylation of aldehydes.","Organic & biomolecular chemistry","2010","8","5","1081","1090","10.1039/b919894f","","","0.71073","MoKα","","0.0356","0.0311","","","0.0717","0.0738","","","","","","0.985","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153271","14.072","0.0001","14.218","0.0001","22.889","0.0003","90","","90","","90","","4579.53","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C208 H256 N16 O40 -","8","2","","Boyd, D. R.; Sharma, N. D.; Sbircea, L.; Murphy, D.; Malone, J. F.; James, S. L.; Allen, C. C. R.; Hamilton, J. T. G.","Chemoenzymatic synthesis of chiral 2,2'-bipyridine ligands and their N-oxide derivatives: applications in the asymmetric aminolysis of epoxides and asymmetric allylation of aldehydes.","Organic & biomolecular chemistry","2010","8","5","1081","1090","10.1039/b919894f","","","0.71073","MoKα","","0.0587","0.0462","","","0.1115","0.1179","","","","","","1.068","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153272","14.1616","0.0001","14.2969","0.0001","22.8822","0.0002","90","","90","","90","","4632.89","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O6 -","- C26 H32 N2 O6 -","- C208 H256 N16 O48 -","8","2","","Boyd, D. R.; Sharma, N. D.; Sbircea, L.; Murphy, D.; Malone, J. F.; James, S. L.; Allen, C. C. R.; Hamilton, J. T. G.","Chemoenzymatic synthesis of chiral 2,2'-bipyridine ligands and their N-oxide derivatives: applications in the asymmetric aminolysis of epoxides and asymmetric allylation of aldehydes.","Organic & biomolecular chemistry","2010","8","5","1081","1090","10.1039/b919894f","","","0.71073","MoKα","","0.0603","0.055","","","0.1431","0.1461","","","","","","1.155","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153273","11.3994","0.0014","7.5273","0.0009","21.096","0.003","90","","97.767","0.002","90","","1793.6","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17.5 H21 N6 O5 -","- C17.5 H21 N6 O5 -","- C70 H84 N24 O20 -","4","2","","Dodd, David W.; Swanick, Kalen N.; Price, Jacquelyn T.; Brazeau, Allison L.; Ferguson, M. J.; Jones, Nathan D.; Hudson, Robert H. E.","Blue fluorescent deoxycytidine analogues: convergent synthesis, solid-state and electronic structure, and solvatochromism.","Organic & biomolecular chemistry","2010","8","3","663","666","10.1039/b919921g","","","0.71073","MoKα","","0.0963","0.0521","","","0.1009","0.1169","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153274","10.423","0.002","10.23","0.003","27.358","0.006","90","","93.5","0.02","90","","2911.7","1.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(bis(2-methoxy-3-methyl-naphthyl)-isophthalate) bis(acetone) solvate","","","- C70 H60 O14 -","- C70 H60 O14 -","- C140 H120 O28 -","2","1","","Coluccini, Carmine; Dondi, Daniele; Caricato, Marco; Taglietti, Angelo; Boiocchi, Massimo; Pasini, Dario","Structurally-variable, rigid and optically-active D2 and D3 macrocycles possessing recognition properties towards C60.","Organic & biomolecular chemistry","2010","8","7","1640","1649","10.1039/b920867d","","","0.71073","MoKα","","0.147","0.0689","","","0.1588","0.198","","","","","","1.045","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153275","11.4141","0.0018","20.62","0.003","12.643","0.004","90","","91.474","0.015","90","","2974.7","1.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(bis(2-methoxy-3-methyl-naphthyl)-terephthalate) bis(acetone) solvate","","","- C70 H60 O14 -","- C70 H60 O14 -","- C140 H120 O28 -","2","1","","Coluccini, Carmine; Dondi, Daniele; Caricato, Marco; Taglietti, Angelo; Boiocchi, Massimo; Pasini, Dario","Structurally-variable, rigid and optically-active D2 and D3 macrocycles possessing recognition properties towards C60.","Organic & biomolecular chemistry","2010","8","7","1640","1649","10.1039/b920867d","","","0.71073","MoKα","","0.076","0.0482","","","0.1202","0.1371","","","","","","1.029","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153276","8.86","0.002","8.897","0.002","13.022","0.003","90","","109.05","0.03","90","","970.3","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H24 O10 -","- C17 H24 O10 -","- C34 H48 O20 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Bowers, Nigel I.; Coen, Gerard B.; Malone, John F.; O'Dowd, Colin R; Stevenson, Paul J.; Allen, Christopher C. R.","Chemoenzymatic synthesis of the carbasugars carba-beta-L-galactopyranose, carba-beta-L-talopyranose and carba-alpha-L-talopyranose from methyl benzoate.","Organic & biomolecular chemistry","2010","8","6","1415","1423","10.1039/b921545j","","","0.71073","MoKα","","0.0645","0.0472","","","0.1126","0.128","","","","","","0.967","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153277","6.3882","0.0001","10.3973","0.0002","18.3495","0.0004","90","","90","","90","","1218.77","0.04","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0331","0.0258","","0.0346","0.0301","0.0301","","","","","","1.1495","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153278","6.205","0.0001","11.5001","0.0003","17.0648","0.0005","90","","90","","90","","1217.71","0.05","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0398","0.0286","","0.0389","0.0331","0.0331","","","","","","1.1573","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153279","9.7159","0.0002","9.7758","0.0002","14.8253","0.0004","90","","90","","90","","1408.12","0.06","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0341","0.0303","","0.081","0.0797","0.081","","","","","","0.955","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153280","6.3467","0.0002","21.7077","0.0006","10.3198","0.0003","90","","90.9585","0.0016","90","","1421.58","0.07","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","2","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0384","0.0279","","0.0358","0.0308","0.0308","","","","","","1.1875","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153281","9.1347","0.0006","6.1641","0.0004","21.3826","0.0015","90","","98.82","0.003","90","","1189.76","0.14","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.1111","0.0822","","0.1035","0.0767","0.0767","","","","","","1.1501","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153282","6.3638","0.0001","12.4427","0.0003","15.6175","0.0004","90","","90","","90","","1236.64","0.05","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0432","0.0318","","0.0701","0.068","0.0701","","","","","","0.8107","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153283","9.9198","0.0003","10.5205","0.0004","16.677","0.0006","83.068","0.002","85.616","0.002","69.015","0.002","1612.08","0.1","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H45 I N2 -","- C35 H45 I N2 -","- C70 H90 I2 N4 -","2","1","","Knappke, Christiane E. I.; Neudörfl, Jörg M; von Wangelin, Axel Jacobi","On new N-heterocyclic carbene derived alkylidene imidazolines.","Organic & biomolecular chemistry","2010","8","7","1695","1705","10.1039/b921655c","","","0.71073","MoKα","","0.0399","0.0294","","","0.0629","0.0655","","","","","","1.019","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153284","17.0042","0.0008","18.6505","0.0013","20.0765","0.0014","90","","90","","90","","6367","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H49 I N2 -","- C34 H49 I N2 -","- C272 H392 I8 N16 -","8","1","","Knappke, Christiane E. I.; Neudörfl, Jörg M; von Wangelin, Axel Jacobi","On new N-heterocyclic carbene derived alkylidene imidazolines.","Organic & biomolecular chemistry","2010","8","7","1695","1705","10.1039/b921655c","","","0.71073","MoKα","","0.2076","0.0799","","","0.2172","0.2583","","","","","","1.051","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153285","14.5466","0.0018","16.0087","0.0016","20.286","0.003","90","","128.613","0.008","90","","3691.3","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H53 Br N2 -","- C43 H53 Br N2 -","- C172 H212 Br4 N8 -","4","1","","Knappke, Christiane E. I.; Neudörfl, Jörg M; von Wangelin, Axel Jacobi","On new N-heterocyclic carbene derived alkylidene imidazolines.","Organic & biomolecular chemistry","2010","8","7","1695","1705","10.1039/b921655c","","","0.71073","MoKα","","0.1496","0.0581","","","0.1186","0.1393","","","","","","0.894","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153286","10.0994","0.0011","10.1912","0.0011","11.641","0.0012","91.432","0.002","94.023","0.002","95.126","0.002","1189.8","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H23 Br N2 O4 -","- C25 H23 Br N2 O4 -","- C50 H46 Br2 N4 O8 -","2","2","","Dungan, Victoria J.; Ortin, Yannick; Mueller-Bunz, Helge; Rutledge, Peter J.","Design and synthesis of a tetradentate '3-amine-1-carboxylate' ligand to mimic the metal binding environment at the non-heme iron(II) oxidase active site.","Organic & biomolecular chemistry","2010","8","7","1666","1673","10.1039/b921934j","","","0.71073","MoKα","","0.0528","0.0425","","","0.1066","0.1127","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153287","6.4808","0.0006","15.236","0.0013","15.7084","0.0014","90","","90","","90","","1551.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Dungan, Victoria J.; Ortin, Yannick; Mueller-Bunz, Helge; Rutledge, Peter J.","Design and synthesis of a tetradentate '3-amine-1-carboxylate' ligand to mimic the metal binding environment at the non-heme iron(II) oxidase active site.","Organic & biomolecular chemistry","2010","8","7","1666","1673","10.1039/b921934j","","","0.71073","MoKα","","0.0333","0.031","","","0.0767","0.0782","","","","","","1.065","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153288","15.197","0.0005","14.7033","0.0005","19.8581","0.0007","90","","110.457","0.0006","90","","4157.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 B11 Cl14 O Si -","- C25 H34 B11 Cl14 O Si -","- C100 H136 B44 Cl56 O4 Si4 -","4","1","","Alder, Roger W.; Carta, Fabrizio; Reed, Christopher A.; Stoyanova, Irina; Willis, Christine L.","Searching for intermediates in Prins cyclisations: the 2-oxa-5-adamantyl carbocation.","Organic & biomolecular chemistry","2010","8","7","1551","1559","10.1039/b921957a","","","0.71073","MoKα","","0.0763","0.043","","","0.0947","0.11","","","","","","1.004","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153289","11.2327","0.0003","10.1083","0.0003","12.0414","0.0003","90","","102.797","0.002","90","","1333.26","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H27 Br N2 O7 -","- C29 H27 Br N2 O7 -","- C58 H54 Br2 N4 O14 -","2","1","","Xie, Jian-Wu; Fan, Li-Ping; Su, Hong; Li, Xin-Sheng; Xu, Dong-Cheng","Efficient kinetic resolution of racemic 3-nitro-2H-chromene derivatives catalyzed by Takemoto's organocatalyst.","Organic & biomolecular chemistry","2010","8","9","2117","2122","10.1039/b922668k","","","0.71073","MoKα","","","0.0378","","","0.0873","0.0935","","","","","","1.032","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153290","12.1906","0.0008","23.251","0.002","9.9292","0.0007","90","","97.453","0.008","90","","2790.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C136 H160 N16 O8 -","8","2","","Würdemann, Martina; Christoffers, Jens","Synthesis of spirocyclic carbazole- and acridine-lactams.","Organic & biomolecular chemistry","2010","8","8","1894","1898","10.1039/b922827f","","","0.71073","MoKα","","0.1075","0.03","","","0.0418","0.0513","","","","","","0.52","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153291","43.586","0.009","5.4702","0.0012","22.829","0.005","90","","117.916","0.004","90","","4809.6","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H27 N O4 S -","- C26 H27 N O4 S -","- C208 H216 N8 O32 S8 -","8","1","","Nair, Vijay; Varghese, Vimal; Babu, Beneesh P.; Sinu, C. R.; Suresh, Eringathodi","A novel pseudo four component reaction involving homoenolate for the synthesis of gamma-aminobutyric acid (GABA) derivatives.","Organic & biomolecular chemistry","2010","8","4","761","764","10.1039/b922981g","","","0.71073","MoKα","","0.1986","0.165","","","0.3653","0.3815","","","","","","1.261","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153292","18.498","0.011","6.806","0.004","20.715","0.013","90","","108.307","0.011","90","","2476","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N O6 S -","- C27 H27 N O6 S -","- C108 H108 N4 O24 S4 -","4","1","","Nair, Vijay; Varghese, Vimal; Babu, Beneesh P.; Sinu, C. R.; Suresh, Eringathodi","A novel pseudo four component reaction involving homoenolate for the synthesis of gamma-aminobutyric acid (GABA) derivatives.","Organic & biomolecular chemistry","2010","8","4","761","764","10.1039/b922981g","","","0.71073","MoKα","","0.1142","0.1","","","0.1725","0.1783","","","","","","1.279","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153293","16.419","0.003","12.458","0.003","10.52","0.002","90","","90","","90","","2151.8","0.8","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H28 F3 N3 O3 S -","- C17 H28 F3 N3 O3 S -","- C68 H112 F12 N12 O12 S4 -","4","1","","Li, Dongzhen; Guang, Jie; Zhang, Wen-Xiong; Wang, Yang; Xi, Zhenfeng","Zn(OTf)(2)-catalyzed addition of amines to carbodiimides: efficient synthesis of guanidines and unpredicted formation of Zn-N amido species.","Organic & biomolecular chemistry","2010","8","8","1816","1820","10.1039/b923249b","","","0.71073","MoKα","","0.0482","0.0441","","","0.0945","0.0977","","","","","","1.082","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153294","35.199","0.005","35.199","0.005","11.268","0.002","90","","90","","90","","13961","4","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C48 H68 F12 N4 O14 S4 Zn2 -","- C48 H68 F12 N4 O14 S4 Zn2 -","- C384 H544 F96 N32 O112 S32 Zn16 -","8","0.5","","Li, Dongzhen; Guang, Jie; Zhang, Wen-Xiong; Wang, Yang; Xi, Zhenfeng","Zn(OTf)(2)-catalyzed addition of amines to carbodiimides: efficient synthesis of guanidines and unpredicted formation of Zn-N amido species.","Organic & biomolecular chemistry","2010","8","8","1816","1820","10.1039/b923249b","","","0.71073","MoKα","","0.0681","0.0644","","","0.1956","0.1999","","","","","","1.067","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153295","7.4309","0.001","10.1138","0.0012","16.7778","0.0018","90","","90","","90","","1260.9","0.3","123.1","","123.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Hayashi, Nobuyuki; Yamamoto, Kentaro; Minowa, Nobuto; Mitomi, Masaaki; Nakada, Masahisa","Synthesis of NH006‒a photostable fungicide effective against Botrytis cinerea‒according to the asymmetric total synthesis of MK8383.","Organic & biomolecular chemistry","2010","8","8","1821","1825","10.1039/b924096a","","","0.71075","MoKα","","","0.0488","","","","0.1278","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153296","16.6312","0.0014","8.9394","0.0008","12.6256","0.0011","90","","90","","90","","1877.1","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 2","P 2 2ab","18","","","","- C19 H33 N O5 -","- C19 H33 N O5 -","- C76 H132 N4 O20 -","4","1","","Renzi, Polyssena; Overgaard, Jacob; Bella, Marco","Multicomponent asymmetric reactions mediated by proline lithium salt.","Organic & biomolecular chemistry","2010","8","5","980","983","10.1039/b924158b","","x-ray","0.71073","MoKα","","0.0581","0.0502","","","0.1498","0.1536","","","","","","1.041","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153297","14.466","0.004","6.5627","0.0019","12.39","0.004","90","","111.88","0.02","90","","1091.5","0.6","295","","295","2","","","","","","","see text","5","P 1 21/a 1","-P 2yab","14","Pestalactam A","","","- C10 H12 Cl N O4 -","- C10 H12 Cl N O4 -","- C40 H48 Cl4 N4 O16 -","4","1","","Davis, Rohan A.; Carroll, Anthony R.; Andrews, Katherine T.; Boyle, Glen M.; Tran, Truc Linh; Healy, Peter C.; Kalaitzis, John A.; Shivas, Roger G.","Pestalactams A-C: novel caprolactams from the endophytic fungus Pestalotiopsis sp.","Organic & biomolecular chemistry","2010","8","8","1785","1790","10.1039/b924169h","","","0.7107","MoKα","","0.0933","0.0633","","","0.1608","0.1815","","","","","","1.055","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153298","5.6889","0.0013","13.461","0.003","16.663","0.004","67.393","0.004","80.926","0.005","83.493","0.004","1161.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","rka1302","","","- C24 H30 Cl N O6 S -","- C24 H30 Cl N O6 S -","- C48 H60 Cl2 N2 O12 S2 -","2","1","","Amewu, Richard; Gibbons, Peter; Mukhtar, Amira; Stachulski, Andrew V.; Ward, Stephen A.; Hall, Charlotte; Rimmer, Karen; Davies, Jill; Vivas, Livia; Bacsa, John; Mercer, Amy E.; Nixon, Gemma; Stocks, Paul A.; O'Neill, Paul M","Synthesis, in vitro and in vivo antimalarial assessment of sulfide, sulfone and vinyl amide-substituted 1,2,4-trioxanes prepared via thiol-olefin co-oxygenation (TOCO) of allylic alcohols.","Organic & biomolecular chemistry","2010","8","9","2068","2077","10.1039/b924319d","","","0.71073","MoKα","","0.0614","0.0457","","","0.0963","0.1014","","","","","","1.068","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153299","18.705","0.003","7.6876","0.0013","16.257","0.003","90","","93.288","0.003","90","","2333.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","RKA269","","","- C22 H39 Cl N2 O5 -","- C22 H39 Cl N2 O5 -","- C88 H156 Cl4 N8 O20 -","4","1","","Amewu, Richard; Gibbons, Peter; Mukhtar, Amira; Stachulski, Andrew V.; Ward, Stephen A.; Hall, Charlotte; Rimmer, Karen; Davies, Jill; Vivas, Livia; Bacsa, John; Mercer, Amy E.; Nixon, Gemma; Stocks, Paul A.; O'Neill, Paul M","Synthesis, in vitro and in vivo antimalarial assessment of sulfide, sulfone and vinyl amide-substituted 1,2,4-trioxanes prepared via thiol-olefin co-oxygenation (TOCO) of allylic alcohols.","Organic & biomolecular chemistry","2010","8","9","2068","2077","10.1039/b924319d","","","0.71073","MoKα","","0.0874","0.073","","","0.1611","0.1682","","","","","","1.143","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153300","8.1709","0.001","11.1196","0.0014","15.653","0.002","76.5","0.0017","84.662","0.0019","79.07","0.0018","1356","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H74 N4 O8 -","- C60 H74 N4 O8 -","- C60 H74 N4 O8 -","1","0.5","","Samankumara, Lalith P.; Zeller, Matthias; Krause, Jeanette A.; Brückner, Christian","Syntheses, structures, modification, and optical properties of meso-tetraaryl-2,3-dimethoxychlorin, and two isomeric meso-tetraaryl-2,3,12,13-tetrahydroxybacteriochlorins.","Organic & biomolecular chemistry","2010","8","8","1951","1965","10.1039/b924539a","","","0.71073","MoKα","","0.0613","0.0459","","","0.1147","0.1214","","","","","","1.054","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153301","11.6873","0.0009","15.6713","0.0012","22.2525","0.0017","69.929","0.001","82.079","0.001","72.136","0.001","3641.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.62 H62.62 Cl13.86 N4 O16 -","- C60.621 H62.621 Cl13.863 N4 O16 -","- C121.242 H125.242 Cl27.726 N8 O32 -","2","1","","Samankumara, Lalith P.; Zeller, Matthias; Krause, Jeanette A.; Brückner, Christian","Syntheses, structures, modification, and optical properties of meso-tetraaryl-2,3-dimethoxychlorin, and two isomeric meso-tetraaryl-2,3,12,13-tetrahydroxybacteriochlorins.","Organic & biomolecular chemistry","2010","8","8","1951","1965","10.1039/b924539a","","","0.71073","MoKα","","0.114","0.092","","","0.237","0.2518","","","","","","1.087","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153302","14.3828","0.0004","10.2429","0.0003","24.0675","0.0007","90","","98.089","0.001","90","","3510.39","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 N4 O2 -","- C46 H36 N4 O2 -","- C184 H144 N16 O8 -","4","1","","Samankumara, Lalith P.; Zeller, Matthias; Krause, Jeanette A.; Brückner, Christian","Syntheses, structures, modification, and optical properties of meso-tetraaryl-2,3-dimethoxychlorin, and two isomeric meso-tetraaryl-2,3,12,13-tetrahydroxybacteriochlorins.","Organic & biomolecular chemistry","2010","8","8","1951","1965","10.1039/b924539a","","","0.71073","MoKα","","0.0761","0.0424","","","0.099","0.1177","","","","","","1.003","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153303","10.8723","0.0015","12.237","0.003","14.38","0.002","108.55","0.003","111.4","0.002","95.11","0.003","1642.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H74 Cl8 N4 O16 -","- C64 H74 Cl8 N4 O16 -","- C64 H74 Cl8 N4 O16 -","1","0.5","","Samankumara, Lalith P.; Zeller, Matthias; Krause, Jeanette A.; Brückner, Christian","Syntheses, structures, modification, and optical properties of meso-tetraaryl-2,3-dimethoxychlorin, and two isomeric meso-tetraaryl-2,3,12,13-tetrahydroxybacteriochlorins.","Organic & biomolecular chemistry","2010","8","8","1951","1965","10.1039/b924539a","","","0.71073","MoKα","","0.0688","0.0509","","","0.1108","0.1216","","","","","","1.031","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153304","15.0677","0.0009","15.0677","0.0009","13.8543","0.0017","90","","90","","90","","3145.4","0.5","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C44 H32 N4 O -","- C44 H32 N4 O -","- C176 H128 N16 O4 -","4","0.25","","Samankumara, Lalith P.; Zeller, Matthias; Krause, Jeanette A.; Brückner, Christian","Syntheses, structures, modification, and optical properties of meso-tetraaryl-2,3-dimethoxychlorin, and two isomeric meso-tetraaryl-2,3,12,13-tetrahydroxybacteriochlorins.","Organic & biomolecular chemistry","2010","8","8","1951","1965","10.1039/b924539a","","","0.71073","MoKα","","0.0473","0.0402","","","0.1117","0.1191","","","","","","1.061","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153305","5.8692","0.0011","7.6984","0.0014","34.643","0.007","90","","94.634","0.003","90","","1560.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","1","","He, Hu; Dai, Li-Xin; You, Shu-Li","Intramolecular Michael addition reaction for the synthesis of benzylbutyrolactones.","Organic & biomolecular chemistry","2010","8","14","3207","3210","10.1039/b924770j","","","0.71073","MoKα","","0.0919","0.0607","","","0.1486","0.1601","","","","","","0.944","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153306","6.8274","0.0009","8.8266","0.0011","23.345","0.003","90","","96.661","0.002","90","","1397.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C60 H60 N4 O20 -","4","1","","He, Hu; Dai, Li-Xin; You, Shu-Li","Intramolecular Michael addition reaction for the synthesis of benzylbutyrolactones.","Organic & biomolecular chemistry","2010","8","14","3207","3210","10.1039/b924770j","","","0.71073","MoKα","","0.0808","0.0632","","","0.1538","0.1656","","","","","","1.081","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153307","43.977","0.003","5.096","0.0003","8.3187","0.0006","90","","95.848","0.006","90","","1854.6","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C80 H88 N8 O20 -","4","1","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.; Vicent, Cristian","Molecular recognition of N-protected dipeptides by pseudopeptidic macrocycles: a comparative study of the supramolecular complexes by ESI-MS and NMR.","Organic & biomolecular chemistry","2010","8","6","1329","1339","10.1039/b924981h","","","0.71073","MoKα","","0.058","0.0533","","","0.1587","0.1607","","","","","","1.151","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153308","14.556","0.002","5.8313","0.0009","33.051","0.005","90","","90","","90","","2805.4","0.7","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Se -","- C18 H16 Se -","- C144 H128 Se8 -","8","1","","Hua, Guoxiong; Henry, John B.; Li, Yang; Mount, Andrew R.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis of novel 2,5-diarylselenophenes from selenation of 1,4-diarylbutane-1,4-diones or methanol/arylacetylenes.","Organic & biomolecular chemistry","2010","8","7","1655","1660","10.1039/b924986a","","","0.71073","MoKα","","0.0821","0.056","","","0.1337","0.1478","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153309","12.377","0.002","15.318","0.002","8.3322","0.0014","90","","94.579","0.003","90","","1574.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O4 -","- C21 H14 O4 -","- C84 H56 O16 -","4","1","","Xie, Fuchun; Pan, Xuan; Lin, Shijun; Hu, Youhong","A base-promoted desalicyloylative dimerization of 3-(1-alkynyl)chromones: an unusual approach to 2-alkynyl xanthones.","Organic & biomolecular chemistry","2010","8","6","1378","1381","10.1039/b925234g","","","0.71073","MoKα","","0.073","0.047","","","0.1045","0.1152","","","","","","0.877","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153310","6.3113","0.0006","8.5733","0.0009","39.914","0.004","90","","90","","90","","2159.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H20 O4 -","- C29 H20 O4 -","- C116 H80 O16 -","4","1","","Xie, Fuchun; Pan, Xuan; Lin, Shijun; Hu, Youhong","A base-promoted desalicyloylative dimerization of 3-(1-alkynyl)chromones: an unusual approach to 2-alkynyl xanthones.","Organic & biomolecular chemistry","2010","8","6","1378","1381","10.1039/b925234g","","","0.71073","MoKα","","0.0547","0.0334","","","0.0587","0.0623","","","","","","0.832","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153311","14.46","0.002","7.799","0.0012","33.363","0.005","90","","90","","90","","3762.5","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H16 O4 -","- C26 H16 O4 -","- C208 H128 O32 -","8","1","","Xie, Fuchun; Pan, Xuan; Lin, Shijun; Hu, Youhong","A base-promoted desalicyloylative dimerization of 3-(1-alkynyl)chromones: an unusual approach to 2-alkynyl xanthones.","Organic & biomolecular chemistry","2010","8","6","1378","1381","10.1039/b925234g","","","0.71073","MoKα","","0.088","0.0581","","","0.1375","0.1509","","","","","","0.891","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153312","3.968","0.0004","10.7628","0.001","27.402","0.002","90","","91.138","0.002","90","","1170.02","0.18","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Laroche, Christophe; Li, Jing; Gonzales, Cristina; David, Wendi M.; Kerwin, Sean M.","Cyclization kinetics and biological evaluation of an anticancer 1,2-dialkynylimidazole.","Organic & biomolecular chemistry","2010","8","7","1535","1539","10.1039/b925261d","","","0.71073","MoKα","","0.141","0.046","","","0.0765","0.0922","","","","","","1.197","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153313","6.0627","0.0004","10.2605","0.0006","15.1321","0.0011","101.825","0.003","97.542","0.003","98.935","0.004","897.12","0.1","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 F N5 -","- C22 H20 F N5 -","- C44 H40 F2 N10 -","2","1","","Venturoni, Francesco; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","The application of flow microreactors to the preparation of a family of casein kinase I inhibitors.","Organic & biomolecular chemistry","2010","8","8","1798","1806","10.1039/b925327k","","","0.71073","MoKα","","0.091","0.0596","","","0.1159","0.1304","","","","","","1.128","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153314","11.6203","0.0002","7.1518","0.0002","17.4558","0.0004","90","","99.36","0.001","90","","1431.37","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Cl F N4 -","- C17 H10 Cl F N4 -","- C68 H40 Cl4 F4 N16 -","4","1","","Venturoni, Francesco; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","The application of flow microreactors to the preparation of a family of casein kinase I inhibitors.","Organic & biomolecular chemistry","2010","8","8","1798","1806","10.1039/b925327k","","","0.71073","MoKα","","0.0597","0.04","","","0.0858","0.094","","","","","","1.064","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153315","7.8896","0.0002","8.2318","0.0002","12.0308","0.0003","83.177","0.001","85.689","0.001","61.994","0.001","684.8","0.03","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Br2 F N O -","- C13 H10 Br2 F N O -","- C26 H20 Br4 F2 N2 O2 -","2","1","","Venturoni, Francesco; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","The application of flow microreactors to the preparation of a family of casein kinase I inhibitors.","Organic & biomolecular chemistry","2010","8","8","1798","1806","10.1039/b925327k","","","0.71073","MoKα","","0.054","0.0443","","","0.1113","0.1188","","","","","","1.065","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153316","5.5835","0.0003","8.4844","0.0004","11.9337","0.0007","105.02","0.003","93.976","0.003","104.71","0.002","522.56","0.05","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H7 Cl F N3 O -","- C11 H7 Cl F N3 O -","- C22 H14 Cl2 F2 N6 O2 -","2","1","","Venturoni, Francesco; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","The application of flow microreactors to the preparation of a family of casein kinase I inhibitors.","Organic & biomolecular chemistry","2010","8","8","1798","1806","10.1039/b925327k","","","0.71073","MoKα","","0.0642","0.0545","","","0.1444","0.1505","","","","","","1.224","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153317","8.038","0.005","8.521","0.005","8.678","0.005","73.591","0.005","81.419","0.005","69.809","0.005","534.2","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(E)-N-(2-Methoxy-3-oxobut-1-enyl)picolinamide","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C22 H24 N4 O6 -","2","1","","Lechel, Tilman; Dash, Jyotirmayee; Eidamshaus, Christian; Brüdgam, Irene; Lentz, Dieter; Reissig, Hans-Ulrich","A three-component synthesis of beta-alkoxy-beta-keto-enamides‒flexible precursors for 4-hydroxypyridine derivatives and their palladium-catalysed reactions.","Organic & biomolecular chemistry","2010","8","13","3007","3014","10.1039/b925468d","","","0.71069","MoKα","","0.0948","0.0675","","","0.1872","0.2042","","","","","","1.103","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153318","13.141","0.004","8.066","0.002","15.156","0.004","90","","90","","90","","1606.5","0.8","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(E)-2-tert-Butyl-3-methoxy-6-methyl-4-styrylpyridine","(E)-2-tert-Butyl-3-methoxy-6-methyl-4-styrylpyridine","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","1","","Lechel, Tilman; Dash, Jyotirmayee; Eidamshaus, Christian; Brüdgam, Irene; Lentz, Dieter; Reissig, Hans-Ulrich","A three-component synthesis of beta-alkoxy-beta-keto-enamides‒flexible precursors for 4-hydroxypyridine derivatives and their palladium-catalysed reactions.","Organic & biomolecular chemistry","2010","8","13","3007","3014","10.1039/b925468d","","","0.71073","MoKα","","0.0364","0.0324","","","0.0852","0.0882","","","","","","1.034","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153319","8.7304","0.0003","8.9046","0.0002","16.6172","0.0005","90","","90","","90","","1291.83","0.07","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C56 H72 N8 O4 -","4","1","","Fuentes de Arriba, Angel L.; Simón, Luis; Raposo, César; Alcázar, Victoria; Sanz, Francisca; Muñiz, Francisco M; Morán, Joaquín R","Imidazolidinone intermediates in prolinamide-catalyzed aldol reactions.","Organic & biomolecular chemistry","2010","8","13","2979","2985","10.1039/b926284a","","","1.54178","CuKα","","0.0263","0.0259","","","0.0687","0.0692","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153320","9.8341","0.0004","8.8407","0.0004","11.5844","0.0006","90","","98.936","0.003","90","","994.93","0.08","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 Cl2 N3 O3 -","- C19 H19 Cl2 N3 O3 -","- C38 H38 Cl4 N6 O6 -","2","1","","Fuentes de Arriba, Angel L.; Simón, Luis; Raposo, César; Alcázar, Victoria; Sanz, Francisca; Muñiz, Francisco M; Morán, Joaquín R","Imidazolidinone intermediates in prolinamide-catalyzed aldol reactions.","Organic & biomolecular chemistry","2010","8","13","2979","2985","10.1039/b926284a","","","1.54178","CuKα","","0.0715","0.0614","","","0.1745","0.1867","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153321","6.6712","0.0002","14.9403","0.0004","15.7482","0.0004","90","","90","","90","","1569.62","0.07","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C72 H68 N12 O12 -","4","1","","Fuentes de Arriba, Angel L.; Simón, Luis; Raposo, César; Alcázar, Victoria; Sanz, Francisca; Muñiz, Francisco M; Morán, Joaquín R","Imidazolidinone intermediates in prolinamide-catalyzed aldol reactions.","Organic & biomolecular chemistry","2010","8","13","2979","2985","10.1039/b926284a","","","1.54178","CuKα","","0.0277","0.0262","","","0.0695","0.0708","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153322","6.627","0.001","13.282","0.003","10.388","0.002","90","","96.38","0.05","90","","908.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-oxo-3,4,4a,7,8,8a-hexahydro-2H-chromene-6-carbaldehyde","2-oxo-3,4,4a,7,8,8a-hexahydro-2H-chromene-6-carbaldehyde","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","","Salame, Rim; Gravel, Edmond; Retailleau, Pascal; Poupon, Erwan","Biomimetically relevant self-condensations of C5 units derived from lysine.","Organic & biomolecular chemistry","2010","8","11","2522","2528","10.1039/b926786g","","","0.7107","MoKα","","0.0955","0.0731","","","0.1952","0.2177","","","","","","1.077","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153323","6.28","0.003","7.095","0.003","11.413","0.005","97.531","0.005","102.847","0.008","101.348","0.006","477.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C20 H32 O8 -","2","1","","Salame, Rim; Gravel, Edmond; Retailleau, Pascal; Poupon, Erwan","Biomimetically relevant self-condensations of C5 units derived from lysine.","Organic & biomolecular chemistry","2010","8","11","2522","2528","10.1039/b926786g","","","0.71069","MoKα","","0.0963","0.0728","","","0.1837","0.2053","","","","","","1.035","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153324","7.16","0.004","13.956","0.005","8.879","0.004","90","","101.312","0.005","90","","870","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(2Z,6Z)-cycloocta-2,6-diene-1,5-dicarbaldehyde","(2Z,6Z)-cycloocta-2,6-diene-1,5-dicarbaldehyde","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","","Salame, Rim; Gravel, Edmond; Retailleau, Pascal; Poupon, Erwan","Biomimetically relevant self-condensations of C5 units derived from lysine.","Organic & biomolecular chemistry","2010","8","11","2522","2528","10.1039/b926786g","","","0.71069","MoKα","","0.0709","0.0471","","","0.1144","0.1288","","","","","","1.041","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153325","11.9921","0.0015","13.0949","0.0016","20.722","0.003","72.277","0.002","75.153","0.002","67.7","0.002","2831","0.6","294","2","294","2","","","","","","","","9","P -1","-P 1","2","","","","- C55 H42 Cl8 F3 N O P2 Pd S -","- C55 H42 Cl8 F3 N O P2 Pd S -","- C110 H84 Cl16 F6 N2 O2 P4 Pd2 S2 -","2","1","","Subhas, Madavu Salian; Racharlawar, Shailesh S.; Sridhar, B.; Kennady, P. Kavin; Likhar, Pravin R.; Kantam, Mannepalli Lakshmi; Bhargava, Suresh K.","New cyclopalladated benzothiophenes: a catalyst precursor for the Suzuki coupling of deactivated aryl chlorides.","Organic & biomolecular chemistry","2010","8","13","3001","3006","10.1039/b927367k","","x-ray","0.71073","MoKα","","0.0629","0.0558","","","0.1595","0.1701","","","","","","1.042","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153326","12.5855","0.001","14.0795","0.0011","21.9701","0.0017","90","","90","","90","","3893","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl O2 -","- C24 H19 Cl O2 -","- C192 H152 Cl8 O16 -","8","2","","Wu, Chunlin; Li, Wenjun; Yang, Juanjuan; Liang, Xinmiao; Ye, Jinxing","Asymmetric organocatalytic Michael addition of anthrone to enone.","Organic & biomolecular chemistry","2010","8","14","3244","3250","10.1039/b927421a","","","0.71073","MoKα","","0.0748","0.0535","","","0.144","0.1599","","","","","","1.033","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153327","13.0567","0.0001","9.2544","0.0001","19.7847","0.0002","90","","100.23","","90","","2352.62","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 N O2 -","- C33 H25 N O2 -","- C132 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Hisamatsu, Shugo; Mitsuhashi, Hakuei; Takahashi, Masahiro; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kishikawa, Keiki","Reversal of regioselectivity (straight vs. cross ring closure) in the intramolecular [2+2] photocycloaddition of phenanthrene derivatives.","Organic & biomolecular chemistry","2010","8","9","2174","2179","10.1039/c000179a","","","0.71073","MoKα","","0.0487","0.0379","","","0.0858","0.0925","","","","","","1.003","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153328","12.4729","0.0012","13.3772","0.0013","13.8882","0.0013","90","","90","","90","","2317.3","0.4","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 N O2 -","- C33 H25 N O2 -","- C132 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Hisamatsu, Shugo; Mitsuhashi, Hakuei; Takahashi, Masahiro; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kishikawa, Keiki","Reversal of regioselectivity (straight vs. cross ring closure) in the intramolecular [2+2] photocycloaddition of phenanthrene derivatives.","Organic & biomolecular chemistry","2010","8","9","2174","2179","10.1039/c000179a","","","0.71073","MoKα","","0.0562","0.0437","","","0.09","0.0963","","","","","","1.087","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153329","9.4894","0.0018","27.726","0.005","9.0631","0.0017","90","","90","","90","","2384.5","0.8","200","","200","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H25 N O2 -","- C33 H25 N O2 -","- C132 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Hisamatsu, Shugo; Mitsuhashi, Hakuei; Takahashi, Masahiro; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kishikawa, Keiki","Reversal of regioselectivity (straight vs. cross ring closure) in the intramolecular [2+2] photocycloaddition of phenanthrene derivatives.","Organic & biomolecular chemistry","2010","8","9","2174","2179","10.1039/c000179a","","","0.71073","MoKα","","0.0487","0.0371","","","0.0807","0.086","","","","","","1.014","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153330","10.6005","0.0009","11.9567","0.0009","12.2672","0.0008","90","","100.851","0.002","90","","1527","0.2","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 I N O2 -","- C15 H16 I N O2 -","- C60 H64 I4 N4 O8 -","4","1","","Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio","Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.","Organic & biomolecular chemistry","2010","8","9","2009","2011","10.1039/c000197j","","","0.71069","MoKα","","","0.0573","","","","0.0827","","","","","","1.618","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153331","7.868","0.001","16.732","0.003","7.761","0.001","94.34","0.01","107.74","0.01","92.45","0.01","968","0.3","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O5 S -","- C20 H19 N O5 S -","- C40 H38 N2 O10 S2 -","2","1","","Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio","Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.","Organic & biomolecular chemistry","2010","8","9","2009","2011","10.1039/c000197j","","","0.7107","MoKα","","","0.0564","","","","0.1873","","","","","","1.288","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153332","15.4263","0.0006","7.5195","0.0003","13.4786","0.0004","90","","90","","90","","1563.49","0.1","296.2","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H16 I N O2 -","- C15 H16 I N O2 -","- C60 H64 I4 N4 O8 -","4","1","","Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio","Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.","Organic & biomolecular chemistry","2010","8","9","2009","2011","10.1039/c000197j","","","0.7107","MoKα","","","0.0512","","","","0.1144","","","","","","1.645","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153333","14.0275","0.0019","7.7306","0.0012","18.294","0.0018","90","","103.65","0.008","90","","1927.8","0.4","296.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H19 N O5 S -","- C20 H19 N O5 S -","- C80 H76 N4 O20 S4 -","4","1","","Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio","Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.","Organic & biomolecular chemistry","2010","8","9","2009","2011","10.1039/c000197j","","","0.71069","MoKα","","","0.0482","","","","0.0556","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153334","6.6009","0.0001","25.4575","0.0003","13.4714","0.0002","90","","95.8569","0.0004","90","","2251.95","0.05","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 I N O3 -","- C25 H22 I N O3 -","- C100 H88 I4 N4 O12 -","4","1","","Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio","Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.","Organic & biomolecular chemistry","2010","8","9","2009","2011","10.1039/c000197j","","","0.7107","MoKα","","","0.0468","","","","0.1224","","","","","","1.941","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7153335","7.888","0.0016","13.53","0.003","14.876","0.003","103.97","0.03","105.05","0.03","102.57","0.03","1419.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Fluorobenzoyl)pyrrolo[1,2-a]quinoline","","- C19 H12 F N O -","- C19 H12 F N O -","- C76 H48 F4 N4 O4 -","4","2","","Liu, Yun; Zhang, Yan; Shen, Yong-Miao; Hu, Hong-Wen; Xu, Jian-Hua","Regioselective synthesis of 3-acylindolizines and benzo- analogues via 1,3-dipolar cycloadditions of N-ylides with maleic anhydride.","Organic & biomolecular chemistry","2010","8","10","2449","2456","10.1039/c000277a","","","0.71073","MoKα","","0.1315","0.0692","","","0.1521","0.2004","","","","","","1.004","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153336","15.16","0.002","15.211","0.002","19.507","0.002","69.54","0.002","83.666","0.002","77.071","0.002","4105.1","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4,6-bispyrenoyl-myo-inositol 1,2,3,5-tetrakis(dibenzyl phosphate)","","- C96 H80 O20 P4 -","- C96 H80 O20 P4 -","- C192 H160 O40 P8 -","2","1","","Mansell, David; Rattray, Nicholas; Etchells, Laura L.; Schwalbe, Carl H.; Blake, Alexander J.; Torres, Julia; Kremer, Carlos; Bichenkova, Elena V.; Barker, Christopher J.; Freeman, Sally","Conformational analysis of the natural iron chelator myo-inositol 1,2,3-trisphosphate using a pyrene-based fluorescent mimic.","Organic & biomolecular chemistry","2010","8","12","2850","2858","10.1039/c001078b","","","0.71073","MoKα","","0.0992","0.0593","","","0.1384","0.1535","","","","","","1.033","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153337","10.0852","0.0009","10.6038","0.0009","31.868","0.003","90","","91.353","0.005","90","","3407.1","0.5","228","2","228","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br N O3 -","- C21 H18 Br N O3 -","- C168 H144 Br8 N8 O24 -","8","2","","Burai, Ritwik; Ramesh, Chinnasamy; Shorty, Marvin; Curpan, Ramona; Bologa, Cristian; Sklar, Larry A.; Oprea, Tudor; Prossnitz, Eric R.; Arterburn, Jeffrey B.","Highly efficient synthesis and characterization of the GPR30-selective agonist G-1 and related tetrahydroquinoline analogs.","Organic & biomolecular chemistry","2010","8","9","2252","2259","10.1039/c001307b","","","0.71073","MoKα","","0.0835","0.0512","","","0.1143","0.125","","","","","","1.078","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153338","8.9962","0.0012","5.0086","0.0007","14.409","0.0014","90","","107.466","0.008","90","","619.31","0.14","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 F3 N O2 -","- C11 H12 F3 N O2 -","- C22 H24 F6 N2 O4 -","2","1","","Milcent, Thierry; Hinks, Nathan; Bonnet-Delpon, Danièle; Crousse, Benoit","Trifluoromethyl nitrones: from fluoral to optically active hydroxylamines.","Organic & biomolecular chemistry","2010","8","13","3025","3030","10.1039/c001791d","","","0.71073","MoKα","","0.0928","0.0526","","0.1644","0.1377","0.1644","","","","","","1.0226","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153339","8.165","0.015","13.02","0.03","26.83","0.06","90","","90","","90","","2852","11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 O5 -","- C31 H50 O5 -","- C124 H200 O20 -","4","1","","Yang, Xian-Wen; Li, Su-Mei; Wu, Liang; Li, Yong-Li; Feng, Lin; Shen, Yun-Heng; Tian, Jun-Mian; Tang, Jian; Wang, Ning; Liu, Yonghong; Zhang, Wei-Dong","Abiesatrines A-J: anti-inflammatory and antitumor triterpenoids from Abies georgei Orr.","Organic & biomolecular chemistry","2010","8","11","2609","2616","10.1039/c001885f","","","0.71073","MoKα","","0.2828","0.0711","","","0.1422","0.1882","","","","","","0.948","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153340","17.699","0.004","74.502","0.018","5.7208","0.0014","90","","90","","90","","7544","3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H19 N S -","- C24 H19 N S -","- C384 H304 N16 S16 -","16","1","","Gao, Xun; Pan, Ying-ming; Lin, Min; Chen, Li; Zhan, Zhuang-ping","Facile one-pot synthesis of three different substituted thiazoles from propargylic alcohols.","Organic & biomolecular chemistry","2010","8","14","3259","3266","10.1039/c002093a","","","0.71073","MoKα","","0.119","0.0722","","","0.1786","0.2081","","","","","","0.943","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153341","5.53","0.0003","8.5175","0.0006","34.0903","0.0018","90","","90","","90","","1605.71","0.17","296","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C64 H72 Cl4 N4 O12 -","4","1","","Li, Zhao-Bo; Luo, Shu-Ping; Guo, Yi; Xia, Ai-Bao; Xu, Dan-Qian","The highly enantioselective Michael addition of ketones to nitrodienes catalyzed by the efficient organocatalyst system of pyrrolidinyl-thioimidazole and chiral thioureido acid.","Organic & biomolecular chemistry","2010","8","11","2505","2508","10.1039/c002197k","","","0.71075","MoKα","","","0.0436","","","","0.1238","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153342","9.6104","0.001","6.8695","0.0013","15.6735","0.0017","90","","92.706","0.011","90","","1033.6","0.2","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Cl N O5 -","- C22 H22 Cl N O5 -","- C44 H44 Cl2 N2 O10 -","2","1","","Li, Nan; Song, Jin; Tu, Xi-Feng; Liu, Bin; Chen, Xiao-Hua; Gong, Liu-Zhu","Organocatalytic asymmetric intramolecular [3+2] cycloaddition: a straightforward approach to access multiply substituted hexahydrochromeno[4,3-b]pyrrolidine derivatives in high optical purity.","Organic & biomolecular chemistry","2010","8","9","2016","2019","10.1039/c002369h","","","1.54184","CuKα","","0.0712","0.0581","","","0.1447","0.1564","","","","","","1.006","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153343","11.932","0.003","11.41","0.002","14.195","0.003","90","","104.394","0.002","90","","1871.9","0.7","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C96 H88 N8 O4 -","4","1","","Lei, Jie; Cui, Hai-Lei; Li, Rui; Wu, Li; Ding, Zheng-Yu; Chen, Ying-Chun","Tributyltin hydride-mediated radical cyclisation reactions: efficient construction of multiply substituted cyclopentanes.","Organic & biomolecular chemistry","2010","8","12","2840","2844","10.1039/c002378g","","","0.71073","MoKα","","0.0542","0.0423","","","0.1019","0.1092","","","","","","1","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153344","15.936","0.005","6.1614","0.001","10.962","0.003","90","","108.19","0.03","90","","1022.5","0.5","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","","Kissane, Marie; Lawrence, Simon E.; Maguire, Anita R.","1,3-Dipolar cycloadditions of 2-thio-3-chloroacrylamides with diazoalkanes.","Organic & biomolecular chemistry","2010","8","12","2735","2748","10.1039/c002479a","","","0.71073","MoKα","","0.117","0.0448","","","0.1038","0.1287","","","","","","0.964","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153345","10.1904","0.0008","17.615","0.0012","9.4373","0.0005","90","","90","","90","","1694","0.2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H25 N3 O5 -","- C13 H25 N3 O5 -","- C52 H100 N12 O20 -","4","1","","Liu, Yu; Oliveira, Bruno L.; Correia, João D G; Santos, Isabel C.; Santos, Isabel; Spingler, Bernhard; Alberto, Roger","Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc.","Organic & biomolecular chemistry","2010","8","12","2829","2839","10.1039/c002796k","","","0.71073","MoKα","","0.087","0.0552","","","0.0931","0.1011","","","","","","0.985","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153346","17.2196","0.0007","27.2811","0.0013","10.2859","0.0004","90","","90","","90","","4832","0.4","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H31 N3 O8 -","- C20 H31 N3 O8 -","- C160 H248 N24 O64 -","8","1","","Liu, Yu; Oliveira, Bruno L.; Correia, João D G; Santos, Isabel C.; Santos, Isabel; Spingler, Bernhard; Alberto, Roger","Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc.","Organic & biomolecular chemistry","2010","8","12","2829","2839","10.1039/c002796k","","","0.71073","MoKα","","0.072","0.0604","","","0.1629","0.1686","","","","","","1.102","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153347","17.996","0.003","10.0702","0.0011","9.3258","0.0015","90","","95.477","0.013","90","","1682.3","0.4","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 Br N O5 -","- C13 H22 Br N O5 -","- C52 H88 Br4 N4 O20 -","4","1","","Liu, Yu; Oliveira, Bruno L.; Correia, João D G; Santos, Isabel C.; Santos, Isabel; Spingler, Bernhard; Alberto, Roger","Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc.","Organic & biomolecular chemistry","2010","8","12","2829","2839","10.1039/c002796k","","","1.54186","CuKα","","0.0901","0.0744","","","0.205","0.2413","","","","","","1.215","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153348","8.881","0.0011","20.9682","0.0019","16.241","0.002","90","","101.327","0.01","90","","2965.5","0.6","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 N3 O10 -","- C25 H43 N3 O10 -","- C100 H172 N12 O40 -","4","1","","Liu, Yu; Oliveira, Bruno L.; Correia, João D G; Santos, Isabel C.; Santos, Isabel; Spingler, Bernhard; Alberto, Roger","Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc.","Organic & biomolecular chemistry","2010","8","12","2829","2839","10.1039/c002796k","","","1.54186","CuKα","","0.0984","0.066","","","0.1751","0.2198","","","","","","1.107","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153349","6.7581","0.0001","8.7934","0.0002","11.489","0.0002","86.1958","0.0016","79.7708","0.0016","83.874","0.0017","667.28","0.02","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 N2 O7 Re -","- C10 H13 N2 O7 Re -","- C20 H26 N4 O14 Re2 -","2","1","","Liu, Yu; Oliveira, Bruno L.; Correia, João D G; Santos, Isabel C.; Santos, Isabel; Spingler, Bernhard; Alberto, Roger","Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc.","Organic & biomolecular chemistry","2010","8","12","2829","2839","10.1039/c002796k","","","0.7107","MoKα","","0.0192","0.0177","","","0.0469","0.0474","","","","","","1.064","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153350","6.286","0.001","8.661","0.002","19.599","0.004","90","","90","","90","","1067","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Methyl-4,5-dihydro-6H-pyrrolo(1,2-a)(1,4)benzodiazepin-6-one","1-Methyl-4,5-dihydro-6H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Butin, Alexander V.; Nevolina, Tatyana A.; Shcherbinin, Vitaly A.; Trushkov, Igor V.; Cheshkov, Dmitry A.; Krapivin, Gennady D.","Furan ring opening-pyrrole ring closure: a new synthetic route to aryl(heteroaryl)-annulated pyrrolo[1,2-a][1,4]diazepines.","Organic & biomolecular chemistry","2010","8","14","3316","3327","10.1039/c002994g","","","0.71073","MoKα","","0.0743","0.0208","","","0.0493","0.0547","","","","","","0.864","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153351","7.016","0.001","8.846","0.002","12.3","0.003","72.26","0.03","81.27","0.03","79.73","0.03","711.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-tert-Butyl-4,5-dihydro-6H-pyrrolo(1,2-a)(1,4)benzodiazepin- 6-one","1-tert-Butyl-4,5-dihydro-6H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C32 H36 N4 O2 -","2","1","","Butin, Alexander V.; Nevolina, Tatyana A.; Shcherbinin, Vitaly A.; Trushkov, Igor V.; Cheshkov, Dmitry A.; Krapivin, Gennady D.","Furan ring opening-pyrrole ring closure: a new synthetic route to aryl(heteroaryl)-annulated pyrrolo[1,2-a][1,4]diazepines.","Organic & biomolecular chemistry","2010","8","14","3316","3327","10.1039/c002994g","","","0.71073","MoKα","","0.0798","0.0313","","","0.0897","0.0951","","","","","","0.989","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153352","5.3436","0.0012","6.2291","0.0019","29.214","0.008","90","","90","","90","","972.4","0.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-3-Aminothiochromane hydrochloride","","- C9 H12 Cl N S -","- C9 H12 Cl N S -","- C36 H48 Cl4 N4 S4 -","4","1","","Mercey, Guillaume; Legay, Remi; Lohier, Jean-François; Santos, Jana Sopkova-de Oliveira; Levillain, Jocelyne; Gaumont, Annie-Claude; Gulea, Mihaela","Synthesis of 3-amino-thiochromanes from 4-benzyl 2-thiazolines, via an unprecedented intramolecular electrophilic aromatic substitution.","Organic & biomolecular chemistry","2010","8","11","2520","2521","10.1039/c003050c","","","0.71073","MoKα","","0.0413","0.0337","","","0.0809","0.0847","","","","","","1.115","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153353","5.3668","0.0011","6.2152","0.0012","29.035","0.006","90","","90","","90","","968.5","0.3","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-3-Aminothiochromane hydrochloride","","- C9 H12 Cl N S -","- C9 H12 Cl N S -","- C36 H48 Cl4 N4 S4 -","4","1","","Mercey, Guillaume; Legay, Remi; Lohier, Jean-François; Santos, Jana Sopkova-de Oliveira; Levillain, Jocelyne; Gaumont, Annie-Claude; Gulea, Mihaela","Synthesis of 3-amino-thiochromanes from 4-benzyl 2-thiazolines, via an unprecedented intramolecular electrophilic aromatic substitution.","Organic & biomolecular chemistry","2010","8","11","2520","2521","10.1039/c003050c","","","0.71073","MoKα","","0.0774","0.059","","","0.1336","0.1406","","","","","","1.124","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153354","7.5708","0.0002","11.1245","0.0003","16.1074","0.0005","80.08","0.002","85.635","0.002","88.002","0.002","1332.1","0.07","123","2","123","2","","","","","","","","3","P 1","P 1","1","Cyclic 3-ketal of methyl 3-oxo-5β-cholan-24-oate with benzene-1,2-diol","","","- C31 H44 O4 -","- C31 H44 O4 -","- C62 H88 O8 -","2","2","","Ikonen, Satu; Nonappa,; Valkonen, Arto; Juvonen, Raija; Salo, Hannu; Kolehmainen, Erkki","Bile acid-derived mono- and diketals‒synthesis, structural characterization and self-assembling properties.","Organic & biomolecular chemistry","2010","8","12","2784","2794","10.1039/c003228j","","","0.71073","MoKα","","0.1159","0.0728","","","0.1176","0.1341","","","","","","1.079","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153355","7.5916","0.0001","11.4074","0.0002","16.0654","0.0003","97.471","0.001","102.069","0.001","95.081","0.001","1339.32","0.04","123","2","123","2","","","","","","","","3","P 1","P 1","1","Cyclic 3-ketal of 3,7,12-trioxo-5β-cholan-24-oate with benzene-1,2-diol","","","- C31 H40 O6 -","- C31 H40 O6 -","- C62 H80 O12 -","2","2","","Ikonen, Satu; Nonappa,; Valkonen, Arto; Juvonen, Raija; Salo, Hannu; Kolehmainen, Erkki","Bile acid-derived mono- and diketals‒synthesis, structural characterization and self-assembling properties.","Organic & biomolecular chemistry","2010","8","12","2784","2794","10.1039/c003228j","","","0.71073","MoKα","","0.0523","0.0442","","","0.0908","0.0952","","","","","","1.041","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153356","29.4843","0.0005","6.439","0.001","12.7626","0.0002","90","","97.7664","0.0009","90","","2400.7","0.4","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","Cyclic diketal of methyl 3-oxo-5?-cholan-24-oate with pentaerythritol","","","- C55 H88 O8 -","- C55 H88 O8 -","- C110 H176 O16 -","2","0.5","","Ikonen, Satu; Nonappa,; Valkonen, Arto; Juvonen, Raija; Salo, Hannu; Kolehmainen, Erkki","Bile acid-derived mono- and diketals‒synthesis, structural characterization and self-assembling properties.","Organic & biomolecular chemistry","2010","8","12","2784","2794","10.1039/c003228j","","","0.71073","MoKα","","0.0542","0.0461","","","0.1022","0.1075","","","","","","1.002","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153357","26.389","0.002","26.389","0.002","23.753","0.001","90","","90","","120","","14325","1.6","293","2","293","2","","","","","","","synthesis as described","4","R -3 :H","-R 3","148","","","","- C36 H40 N6 O2 -","- C36 H33 N6 O2 -","- C648 H594 N108 O36 -","18","1","","Seillan, Claire; Marsal, Philippe; Siri, Olivier","New class of highly stable nonaromatic tautomers.","Organic & biomolecular chemistry","2010","8","17","3882","3887","10.1039/c003450a","","","0.71073","MoKα","","0.2421","0.1161","","","0.2621","0.3356","","","","","","1.022","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153358","18.931","0.001","4.4136","0.0003","22.572","0.002","90","","96.459","0.002","90","","1874","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C96 H64 N16 O8 -","8","1","","Seillan, Claire; Marsal, Philippe; Siri, Olivier","New class of highly stable nonaromatic tautomers.","Organic & biomolecular chemistry","2010","8","17","3882","3887","10.1039/c003450a","","","0.71073","MoKα","","0.0781","0.0487","","","0.1084","0.1244","","","","","","1.083","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153359","12.3141","0.0003","20.8168","0.0006","11.1136","0.0003","90","","109.158","0.002","90","","2691.08","0.13","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 -","- C38 H32 -","- C152 H128 -","4","1","","Rao, Weidong; Chan, Philip Wai Hong","Unexpected iron(III) chloride-catalysed dimerisation of 1,1,3-trisubstituted-prop-2-yn-1-ols as an expedient route to highly conjugated indenes.","Organic & biomolecular chemistry","2010","8","17","4016","4025","10.1039/c003522j","","","0.71073","MoKα","","0.0686","0.0456","","","0.1092","0.1236","","","","","","1.033","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153360","12.3446","0.0006","20.3765","0.001","10.9971","0.0006","90","","108.298","0.002","90","","2626.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 S2 -","- C34 H28 S2 -","- C136 H112 S8 -","4","1","","Rao, Weidong; Chan, Philip Wai Hong","Unexpected iron(III) chloride-catalysed dimerisation of 1,1,3-trisubstituted-prop-2-yn-1-ols as an expedient route to highly conjugated indenes.","Organic & biomolecular chemistry","2010","8","17","4016","4025","10.1039/c003522j","","","0.71073","MoKα","","0.094","0.0629","","","0.1917","0.2253","","","","","","1.053","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153361","15.1281","0.0004","18.3334","0.0006","19.8424","0.0006","90","","90","","90","","5503.3","0.3","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H32 -","- C38 H32 -","- C304 H256 -","8","1","","Rao, Weidong; Chan, Philip Wai Hong","Unexpected iron(III) chloride-catalysed dimerisation of 1,1,3-trisubstituted-prop-2-yn-1-ols as an expedient route to highly conjugated indenes.","Organic & biomolecular chemistry","2010","8","17","4016","4025","10.1039/c003522j","","","0.71073","MoKα","","0.1146","0.073","","","0.1831","0.2103","","","","","","1.047","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153362","10.3273","0.0003","14.4418","0.0004","14.7088","0.0004","66.882","0.002","70.677","0.001","82.319","0.001","1903.91","0.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H44 O2 -","- C50 H44 O2 -","- C100 H88 O4 -","2","1","","Rao, Weidong; Chan, Philip Wai Hong","Unexpected iron(III) chloride-catalysed dimerisation of 1,1,3-trisubstituted-prop-2-yn-1-ols as an expedient route to highly conjugated indenes.","Organic & biomolecular chemistry","2010","8","17","4016","4025","10.1039/c003522j","","","0.71073","MoKα","","0.0903","0.0499","","","0.1333","0.1673","","","","","","1.061","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153363","11.866","0.0003","9.5726","0.0003","12.1209","0.0004","90","","115.349","0.0011","90","","1244.23","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Robertson, Jeremy; Feast, George C.; White, Louise V.; Steadman, Victoria A.; Claridge, Timothy D. W.","Structure and reactivity of bicyclic methylene aziridines prepared by intramolecular aziridination of allenes.","Organic & biomolecular chemistry","2010","8","13","3060","3063","10.1039/c003693e","","","0.71073","MoKα","","0.0694","0.0448","","0.1408","0.1201","0.1402","","","","","","0.9139","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153364","8.3937","0.0004","11.5174","0.0007","13.4324","0.0006","90","","100.112","0.003","90","","1278.39","0.11","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-96","1-96","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C48 H84 N4 O8 -","4","1","","Robertson, Jeremy; Feast, George C.; White, Louise V.; Steadman, Victoria A.; Claridge, Timothy D. W.","Structure and reactivity of bicyclic methylene aziridines prepared by intramolecular aziridination of allenes.","Organic & biomolecular chemistry","2010","8","13","3060","3063","10.1039/c003693e","","","0.71073","MoKα","","0.0764","0.0528","","0.1595","0.1422","0.1592","","","","","","1.0409","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153365","7.7998","0.0005","8.4873","0.0005","11.8596","0.0006","72.423","0.005","80.473","0.005","72.51","0.006","711.42","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 F3 N2 O3 -","- C16 H13 F3 N2 O3 -","- C32 H26 F6 N4 O6 -","2","1","","Stewart, Scott G.; Ghisalberti, Emilio L.; Skelton, Brian W.; Heath, Charles H.","Formation and reactions of azepino[4,5-b]indoles: an unprecedented ozone reaction in the formation of novel benzo[c]naphthyridinones.","Organic & biomolecular chemistry","2010","8","15","3563","3570","10.1039/c003742g","","","0.71073","MoKα","","0.0712","0.0451","","","0.1117","0.1197","","","","","","0.948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153366","10.0807","0.0002","19.0872","0.0004","22.99","0.0005","90","","90","","90","","4423.56","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F3 N2 O4 -","- C15 H15 F3 N2 O4 -","- C180 H180 F36 N24 O48 -","12","3","","Stewart, Scott G.; Ghisalberti, Emilio L.; Skelton, Brian W.; Heath, Charles H.","Formation and reactions of azepino[4,5-b]indoles: an unprecedented ozone reaction in the formation of novel benzo[c]naphthyridinones.","Organic & biomolecular chemistry","2010","8","15","3563","3570","10.1039/c003742g","","","0.71073","MoKα","","0.051","0.0372","","","0.0768","0.0789","","","","","","1.055","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153367","19.2269","0.0006","10.7806","0.0004","12.217","0.0004","90","","94.896","0.003","90","","2523.07","0.15","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","1,4-bis(19-nor-17a-ethynyltestosterone-17b-acetate)phenylene","","- C52 H60 Cl6 O6 -","- C52 H60 Cl6 O6 -","- C104 H120 Cl12 O12 -","2","0.5","","Rodríguez-Molina, Braulio; Pozos, Arturo; Cruz, Ricardo; Romero, Margarita; Flores, Blas; Farfán, Noberto; Santillan, Rosa; Garcia-Garibay, Miguel A","Synthesis and solid state characterization of molecular rotors with steroidal stators: ethisterone and norethisterone.","Organic & biomolecular chemistry","2010","8","13","2993","3000","10.1039/c003778h","","x-ray","0.71073","MoKα","","0.127","0.0644","","","0.1451","0.18","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153368","8.9326","0.0001","10.1183","0.0001","11.8959","0.0001","82.32","0.001","80.314","0.001","86.226","0.001","1049.32","0.018","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 N2 O4 Si -","- C20 H30 N2 O4 Si -","- C40 H60 N4 O8 Si2 -","2","1","","Sunnam, Sunil Kumar; Schepmann, Dirk; Wibbeling, Birgit; Wünsch, Bernhard","Bicyclic sigma receptor ligands by stereoselective Dieckmann analogous cyclization of piperazinebutyrate.","Organic & biomolecular chemistry","2010","8","16","3715","3722","10.1039/c003878d","","","1.54178","CuKα","","0.0593","0.048","","","0.1172","0.1266","","","","","","1.01","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153369","9.2041","0.0017","11.356","0.002","23.799","0.005","90","","93.183","0.012","90","","2483.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Br2 N4 S -","- C24 H28 Br2 N4 S -","- C96 H112 Br8 N16 S4 -","4","1","","Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K.","Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product.","Organic & biomolecular chemistry","2010","8","15","3389","3393","10.1039/c003892j","","","0.71073","MoKα","","0.1539","0.0638","","","0.117","0.1398","","","","","","0.899","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153370","9.1161","0.0006","11.1981","0.0006","22.7023","0.0013","90","","90.02","","90","","2317.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl2 N4 O2 S -","- C22 H24 Cl2 N4 O2 S -","- C88 H96 Cl8 N16 O8 S4 -","4","1","","Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K.","Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product.","Organic & biomolecular chemistry","2010","8","15","3389","3393","10.1039/c003892j","","","0.71073","MoKα","","0.0587","0.0396","","","0.1186","0.1319","","","","","","0.842","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7153371","9.5428","0.001","10.2273","0.0011","22.766","0.002","90","","96.034","0.006","90","","2209.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 S -","- C24 H30 N4 S -","- C96 H120 N16 S4 -","4","1","","Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K.","Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product.","Organic & biomolecular chemistry","2010","8","15","3389","3393","10.1039/c003892j","","","0.71073","MoKα","","0.1001","0.0676","","","0.1946","0.2551","","","","","","1.06","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153372","9.083","0.003","11.47","0.004","13.401","0.004","66.049","0.005","83.186","0.005","67.231","0.005","1175.3","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cl N4 O2 S -","- C23 H27 Cl N4 O2 S -","- C46 H54 Cl2 N8 O4 S2 -","2","1","","Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K.","Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product.","Organic & biomolecular chemistry","2010","8","15","3389","3393","10.1039/c003892j","","","0.71073","MoKα","","0.0577","0.0458","","","0.1149","0.1234","","","","","","0.851","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153373","13.2914","0.001","13.2914","0.001","18.1404","0.0013","90","","90","","120","","2775.4","0.4","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C13 H16 N2 S -","- C13 H15.6667 N2 S -","- C117 H141 N18 S9 -","9","3","","Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K.","Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product.","Organic & biomolecular chemistry","2010","8","15","3389","3393","10.1039/c003892j","","","0.71073","MoKα","","0.2032","0.1343","","","0.3239","0.3631","","","","","","1.099","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153374","10.949","0.003","14.354","0.003","24.633","0.005","90","","90","","90","","3871.4","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Z-(R)-BpAib-(S)-Phe-NHChx dichloromethane solvate","Z-(R)-BpAib-(S)-Phe-NHChx dichloromethane solvate","","- C40.71 H42.42 Cl1.42 N3 O5 -","- C40.712 H42.424 Cl1.424 N3 O5 -","- C162.848 H169.696 Cl5.696 N12 O20 -","4","1","","Wright, Karen; Moretto, Alessandro; Crisma, Marco; Wakselman, Michel; Mazaleyrat, Jean-Paul; Formaggio, Fernando; Toniolo, Claudio","A new tool for photoaffinity labeling studies: a partially constrained, benzophenone based, alpha-amino acid.","Organic & biomolecular chemistry","2010","8","14","3281","3286","10.1039/c003943h","","","1.54178","CuKα","","0.0874","0.0678","","","0.1916","0.207","","","","","","1.019","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153375","7.4011","0.0002","21.678","0.0006","11.5033","0.0004","90","","92.832","0.002","90","","1843.35","0.1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","2","","Salma, Yahya; Ballereau, Stéphanie; Maaliki, Carine; Ladeira, Sonia; Andrieu-Abadie, Nathalie; Génisson, Yves","Flexible and enantioselective access to jaspine B and biologically active chain-modified analogues thereof.","Organic & biomolecular chemistry","2010","8","14","3227","3243","10.1039/c004218h","","","0.71073","MoKα","","0.0633","0.0439","","","0.1015","0.113","","","","","","1.017","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153376","4.5326","0.0002","25.9051","0.0012","6.2404","0.0003","90","","110.523","0.003","90","","686.23","0.06","193","2","193","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C30 H34 N2 O8 -","2","1","","Salma, Yahya; Ballereau, Stéphanie; Maaliki, Carine; Ladeira, Sonia; Andrieu-Abadie, Nathalie; Génisson, Yves","Flexible and enantioselective access to jaspine B and biologically active chain-modified analogues thereof.","Organic & biomolecular chemistry","2010","8","14","3227","3243","10.1039/c004218h","","x-ray","0.71073","MoKα","","0.0741","0.0475","","","0.1006","0.1144","","","","","","1.061","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153377","12.448","0.003","6.84","0.003","13.21","0.004","90","","110.22","0.03","90","","1055.4","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Singh, Vishwakarma; Sahu, Bharat Chandra; Bansal, Varsha; Mobin, Shaikh M.","Intramolecular cycloaddition in 6,6-spiroepoxycyclohexa-2,4-dienone: simple aromatics to (+/-)-platencin.","Organic & biomolecular chemistry","2010","8","19","4472","4481","10.1039/c004316h","","","0.71073","MoKα","","0.1","0.057","","","0.0995","0.1111","","","","","","1.058","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153378","6.5326","0.0019","16.022","0.007","21.032","0.006","90","","90","","90","","2201.3","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C104 H128 O16 -","8","1","","Singh, Vishwakarma; Sahu, Bharat Chandra; Bansal, Varsha; Mobin, Shaikh M.","Intramolecular cycloaddition in 6,6-spiroepoxycyclohexa-2,4-dienone: simple aromatics to (+/-)-platencin.","Organic & biomolecular chemistry","2010","8","19","4472","4481","10.1039/c004316h","","","0.71073","MoKα","","0.0834","0.0357","","","0.0793","0.0871","","","","","","0.827","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153379","10.4","0.001","11.217","0.001","27.8","0.002","90","","96.122","0.001","90","","3224.6","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Etil 2-(3-((4-Ciclohexilmetil)-1-piperazinil)-carbonil)- fenil)-8,9-dimetoxi-3-metil-5,6-dihidropirrolo(2,1-a)-isoquinolin-1- carboxilato","Etil 2-(3-{[4-Ciclohexilmetil)-1-piperazinil]-carbonil}-fenil)-8,9- dimetoxi-3-metil-5,6-dihidropirrolo[2,1-a]-isoquinolin-1-carboxilato","","- C36 H45 N3 O5 -","- C36 H45 N3 O5 -","- C144 H180 N12 O20 -","4","1","","Reyes-Gutiérrez, Paul E; Camacho, José R; Ramírez-Apan, Maria Teresa; Osornio, Yazmin M.; Martínez, Roberto","Synthesis of 5,6-dihydropyrrolo[2,1-a]isoquinolines featuring an intramolecular radical-oxidative cyclization of polysubstituted pyrroles, and evaluation of their cytotoxic activity.","Organic & biomolecular chemistry","2010","8","19","4374","4382","10.1039/c004399k","","","0.71073","MoKα","","0.1118","0.0658","","","0.1377","0.1587","","","","","","1.02","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153380","11.062","0.005","18.764","0.009","16.643","0.008","90","","102.369","0.008","90","","3374","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","t-Butyloxycarbonyl-leucyl-valyl-valyl-alpha-aminoisobutyryl-D- prolyl-leucyl-valyl-valyl-methyl ester dimethylformamide solvate","t-Butyloxycarbonyl-leucyl-valyl-valyl-alpha-aminoisobutyryl- D-prolyl-leucyl-valyl-valyl-methyl ester dimethylformamide solvate","","- C53 H98 N10 O13 -","- C53 H98 N10 O13 -","- C106 H196 N20 O26 -","2","1","","Raghavender, Upadhyayula Surya; Aravinda, Subrayashastry; Rai, Rajkishor; Shamala, Narayanaswamy; Balaram, Padmanabhan","Peptide hairpin nucleation with the obligatory Type I' beta-turn Aib-DPro segment.","Organic & biomolecular chemistry","2010","8","14","3133","3135","10.1039/c004577m","","","0.71073","MoKα","","0.29","0.0947","","","0.1734","0.2909","","","","","","0.973","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153381","16.742","0.0003","12.498","0.0004","12.076","0.0004","90","","90","","90","","2526.8","0.12","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","rhenium cyclohexanol ester","rhenium cyclohexanol ester","","- C25 H23 B F4 N3 O5 Re -","- C25 H23 B F4 N3 O5 Re -","- C100 H92 B4 F16 N12 O20 Re4 -","4","1","","Fernández-Moreira, Vanesa; Thorp-Greenwood, Flora L; Amoroso, Angelo J.; Cable, Joanne; Court, Jonathan B.; Gray, Victoria; Hayes, Anthony J.; Jenkins, Robert L.; Kariuki, Benson M.; Lloyd, David; Millet, Coralie O.; Williams, Catrin Ff; Coogan, Michael P.","Uptake and localisation of rhenium fac-tricarbonyl polypyridyls in fluorescent cell imaging experiments.","Organic & biomolecular chemistry","2010","8","17","3888","3901","10.1039/c004610h","","","0.71073","MoKα","","0.0505","0.0439","","","0.0928","0.0965","","","","","","1.113","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153382","12.138","0.0003","12.156","0.0003","19.413","0.0005","90","","105.863","0.001","90","","2755.3","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","rhenium cyclohexylnicotinamide","rhenium cyclohexylnicotinamide","","- C26 H24 F3 N4 O7 Re S -","- C26 H24 F3 N4 O7 Re S -","- C104 H96 F12 N16 O28 Re4 S4 -","4","1","","Fernández-Moreira, Vanesa; Thorp-Greenwood, Flora L; Amoroso, Angelo J.; Cable, Joanne; Court, Jonathan B.; Gray, Victoria; Hayes, Anthony J.; Jenkins, Robert L.; Kariuki, Benson M.; Lloyd, David; Millet, Coralie O.; Williams, Catrin Ff; Coogan, Michael P.","Uptake and localisation of rhenium fac-tricarbonyl polypyridyls in fluorescent cell imaging experiments.","Organic & biomolecular chemistry","2010","8","17","3888","3901","10.1039/c004610h","","","0.71073","MoKα","","0.0514","0.0373","","","0.0698","0.0746","","","","","","1.071","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153383","16.742","0.0003","12.076","0.0004","12.498","0.0004","90","","90","","90","","2526.8","0.12","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","re cyclohexanol ester","rhenium cyclohexanol ester","","- C26 H12.5 B F4 N3 O4 Re -","- C25.2 H15 B F4 N3 O5.3 Re -","- C100.8 H60 B4 F16 N12 O21.2 Re4 -","4","0.5","","Fernández-Moreira, Vanesa; Thorp-Greenwood, Flora L; Amoroso, Angelo J.; Cable, Joanne; Court, Jonathan B.; Gray, Victoria; Hayes, Anthony J.; Jenkins, Robert L.; Kariuki, Benson M.; Lloyd, David; Millet, Coralie O.; Williams, Catrin Ff; Coogan, Michael P.","Uptake and localisation of rhenium fac-tricarbonyl polypyridyls in fluorescent cell imaging experiments.","Organic & biomolecular chemistry","2010","8","17","3888","3901","10.1039/c004610h","","","0.71073","MoKα","","0.0539","0.0474","","","0.1363","0.1535","","","","","","1.341","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153384","27.7646","0.0012","11.6104","0.0005","16.3768","0.0007","90","","123.535","0.002","90","","4400.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 N O10 -","- C22 H23 N O10 -","- C176 H184 N8 O80 -","8","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0464","0.0373","","","0.0972","0.1035","","","","","","0.995","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153385","5.405","0.0003","7.6853","0.0004","15.2798","0.0008","76.891","0.003","89.431","0.004","78.624","0.003","605.62","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C28 H26 N2 O10 -","2","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0459","0.0425","","","0.1101","0.1129","","","","","","1.056","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153386","5.525","0.0001","17.7359","0.0002","12.5209","0.0002","90","","92.849","0.001","90","","1225.42","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0343","0.0322","","","0.0839","0.0858","","","","","","0.99","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153387","8.4527","0.0002","8.9213","0.0002","21.1061","0.0005","90","","91.61","0.001","90","","1590.96","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O6 -","- C18 H17 N O6 -","- C72 H68 N4 O24 -","4","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0331","0.0322","","","0.0806","0.0812","","","","","","1.032","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153388","11.2217","0.0002","6.9177","0.0001","14.8259","0.0002","90","","106.386","0.001","90","","1104.16","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0338","0.0327","","","0.0871","0.0881","","","","","","1.009","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153389","6.778","0.0001","8.5059","0.0002","19.6445","0.0004","90","","90","","90","","1132.56","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0305","0.029","","","0.0763","0.0773","","","","","","0.994","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153390","7.2305","0.0004","20.6353","0.0011","8.5115","0.0005","90","","104.012","0.004","90","","1232.16","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0481","0.0407","","","0.0918","0.0959","","","","","","1.007","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153391","9.0486","0.0015","11.2654","0.0019","18.715","0.003","91.991","0.003","101.326","0.003","109.783","0.003","1749.6","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H33 F6 -","- C47 H33 F6 -","- C94 H66 F12 -","2","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0516","0.0449","","","0.115","0.1203","","","","","","1.026","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7153392","10.154","0.003","16.592","0.004","23.131","0.006","90","","90","","90","","3897","1.8","100","2","100","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C50 H40 F6 -","- C44 H26 F6 -","- C176 H104 F24 -","4","0.5","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0633","0.0526","","","0.1311","0.1361","","","","","","1.031","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153393","10.118","0.003","16.177","0.004","22.818","0.006","110.541","0.004","97.597","0.005","94.218","0.005","3437.6","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C177 H106 Cl2 F24 -","- C177 H106 Cl2 F24 -","- C177 H106 Cl2 F24 -","1","0.5","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0622","0.0443","","","0.1086","0.1205","","","","","","1.008","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153394","4.6169","0.0007","19.62","0.003","17.062","0.002","90","","92.789","0.003","90","","1543.7","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 -","- C23 H16 -","- C92 H64 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0465","0.037","","","0.0851","0.0915","","","","","","1.041","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153395","6.1828","0.0008","9.6681","0.0012","27.58","0.004","90","","90","","90","","1648.6","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 Br -","- C23 H15 Br -","- C92 H60 Br4 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0386","0.0362","","","0.0897","0.0914","","","","","","1.11","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153396","6.8227","0.0007","9.1562","0.001","25.406","0.003","90","","90","","90","","1587.1","0.3","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 -","- C23 H16 -","- C92 H64 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0321","0.0288","","","0.0658","0.0674","","","","","","1.088","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153397","10.3403","0.0012","15.2026","0.0018","11.2081","0.0013","90","","106.127","0.002","90","","1692.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br -","- C23 H17 Br -","- C92 H68 Br4 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0383","0.0303","","","0.0748","0.0801","","","","","","1.03","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153398","24.337","0.003","5.7025","0.0007","28.668","0.003","90","","99.404","0.002","90","","3925.1","0.8","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 -","- C29 H20 -","- C232 H160 -","8","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0479","0.0381","","","0.0865","0.0922","","","","","","1.041","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153399","10.334","0.007","8.9","0.005","20.175","0.013","90","","100.49","0.013","90","","1825","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 F3 O -","- C24 H15 F3 O -","- C96 H60 F12 O4 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0471","0.0385","","","0.1001","0.108","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153400","19.553","0.003","28.605","0.005","5.3564","0.0009","90","","90","","90","","2995.9","0.9","100","2","100","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C23 H16 -","- C23 H16 -","- C184 H128 -","8","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0505","0.0418","","","0.0956","0.0991","","","","","","1.128","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153401","9.4052","0.0011","14.5518","0.0017","14.8501","0.0017","110.752","0.002","107.181","0.002","99.085","0.002","1735.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H27 F6 N O2 -","- C49 H27 F6 N O2 -","- C98 H54 F12 N2 O4 -","2","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0616","0.0486","","","0.129","0.1363","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153402","16.2272","0.0001","9.46594","0.00008","11.59176","0.00007","90","","90","","90","","1780.56","0.02","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H19 Br Si -","- C20 H19 Br Si -","- C80 H76 Br4 Si4 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","1.54184","CuKα","","0.0305","0.0305","","","0.0839","0.0839","","","","","","1.088","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153403","23.3363","0.0009","23.3363","0.0009","12.2187","0.0005","90","","90","","120","","5762.6","0.4","173","2","173","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C86 H96 N10 -","- C86 H96.06 N10 -","- C258 H288.18 N30 -","3","0.333333","","Savoia, Diego; Gualandi, Andrea; Stoeckli-Evans, Helen","Stereoselective synthesis of ring C-hexasubstituted trianglamines.","Organic & biomolecular chemistry","2010","8","17","3992","3996","10.1039/c004873a","","","0.71073","MoKα","","0.0533","0.0472","","","0.1177","0.1206","","","","","","1.076","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153404","10.348","0.002","21.379","0.004","9.921","0.002","90","","111.7","0.03","90","","2039.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 I N2 O4 -","- C23 H15 I N2 O4 -","- C92 H60 I4 N8 O16 -","4","1","","Fei, Na; Hou, Qiwen; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","Azaanthraquinone assembly from N-propargylamino quinone via iodine-induced 6-endo-dig electrophilic cyclization.","Organic & biomolecular chemistry","2010","8","18","4096","4103","10.1039/c004896h","","","0.71073","MoKα","","0.0785","0.0554","","","0.1339","0.1508","","","","","","1.017","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153405","5.4734","0.0006","9.0484","0.001","14.9986","0.0018","83.446","0.005","89.906","0.005","89.581","0.004","737.94","0.15","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C2.33 H3.33 O0.33 S0.17 -","- C2.33333 H3.33333 O0.333333 S0.166667 -","- C28 H40 O4 S2 -","12","12","","Fang, Zhao; Zhou, Chao; Fu, Chunling; Ma, Shengming","Studies on highly regio- and stereoselective hydration of 1,2-allenylic sulfoxides.","Organic & biomolecular chemistry","2010","8","20","4554","4561","10.1039/c0ob00007h","","","0.71073","MoKα","","0.1844","0.0464","","","0.0959","0.117","","","","","","1.106","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153406","8.9143","0.001","6.083","0.0007","13.2938","0.0015","90","","93.159","0.003","90","","719.77","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C28 H40 O4 S2 -","2","1","","Fang, Zhao; Zhou, Chao; Fu, Chunling; Ma, Shengming","Studies on highly regio- and stereoselective hydration of 1,2-allenylic sulfoxides.","Organic & biomolecular chemistry","2010","8","20","4554","4561","10.1039/c0ob00007h","","","0.71073","MoKα","","0.0475","0.0415","","","0.1021","0.1081","","","","","","1.056","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153407","12.014","0.007","12.413","0.005","13.062","0.007","70.46","0.03","85.28","0.03","73.53","0.02","1760.3","1.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H44 N4 O4 -","- C41 H44 N4 O4 -","- C82 H88 N8 O8 -","2","1","","Zhao, Yun; Sun, Yue; Lv, Xin; Liu, Yunlong; Chen, Maliang; Guo, Wei","Rhodamine-based chemosensor for Hg(2+) in aqueous solution with a broad pH range and its application in live cell imaging.","Organic & biomolecular chemistry","2010","8","18","4143","4147","10.1039/c0ob00013b","","","0.71073","MoKα","","0.0733","0.0516","","","0.1237","0.1324","","","","","","1.075","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153408","23.441","0.006","6.2204","0.0015","18.816","0.005","90","","98.452","0.004","90","","2713.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Cl N3 O -","- C15 H12 Cl N3 O -","- C120 H96 Cl8 N24 O8 -","8","1","","Dong, Chune; Xie, Lingli; Mou, Xiaohong; Zhong, Yashan; Su, Wei","Facile synthesis of 1,3,4-benzotriazepines and 1-arylamide-1H-indazoles via palladium-catalyzed cyclization of aryl isocyanates and aryl hydrazones under microwave irradiation.","Organic & biomolecular chemistry","2010","8","21","4827","4830","10.1039/c0ob00021c","","","0.71073","MoKα","","0.0394","0.0329","","","0.0866","0.0923","","","","","","1.02","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153409","9.0612","0.0002","11.8489","0.0002","28.6964","0.0005","90","","98.513","0.001","90","","3047.05","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 O11 S3 -","- C28 H32 N2 O11 S3 -","- C112 H128 N8 O44 S12 -","4","1","","Anderson, Tom W.; Sanders, Jeremy K. M.; Pantoş, G Dan","The sergeants-and-soldiers effect: chiral amplification in naphthalenediimide nanotubes.","Organic & biomolecular chemistry","2010","8","19","4274","4280","10.1039/c0ob00027b","","","0.71073","MoKα","","0.0721","0.0631","","","0.1676","0.1758","","","","","","1.052","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153410","9.42","0.004","12.575","0.005","14.778","0.006","70.802","0.018","82.598","0.016","67.874","0.015","1531.4","1.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H37 B N2 O4 -","- C37 H37 B N2 O4 -","- C74 H74 B2 N4 O8 -","2","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0546","0.047","","","0.1553","0.164","","","","","","1.34","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153411","11.512","0.005","14.056","0.004","11.554","0.004","90","","99.314","0.016","90","","1844.9","1.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 B N2 O2 -","- C23 H19 B N2 O2 -","- C92 H76 B4 N8 O8 -","4","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0494","0.0403","","","0.1029","0.1083","","","","","","1.037","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153412","22.3","0.009","17.053","0.008","21.385","0.007","90","","90","","90","","8132","6","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C31 H35 B N2 O2 -","- C31 H35 B N2 O2 -","- C372 H420 B12 N24 O24 -","12","1.5","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.1893","0.0855","","","0.1428","0.174","","","","","","1.048","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153413","9.575","0.003","16.463","0.006","19.426","0.005","97.835","0.012","100.782","0.011","98.801","0.014","2929.5","1.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 B I2 N2 O2 -","- C31 H33 B I2 N2 O2 -","- C124 H132 B4 I8 N8 O8 -","4","2","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0417","0.0308","","","0.0772","0.0873","","","","","","1.053","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153414","11.615","0.004","13.859","0.005","20.323","0.007","73.013","0.014","79.998","0.012","79.432","0.014","3050.4","1.9","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 B Cl2 N2 O2 -","- C36 H29 B Cl2 N2 O2 -","- C144 H116 B4 Cl8 N8 O8 -","4","2","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.1296","0.0448","","","0.1219","0.1625","","","","","","0.906","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153415","10.102","0.002","18.284","0.005","18.278","0.004","90","","95.046","0.01","90","","3363","1.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 B N2 O4 -","- C41 H39 B N2 O4 -","- C164 H156 B4 N8 O16 -","4","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0681","0.0445","","","0.1032","0.1117","","","","","","1.067","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153416","9.827","0.004","11.506","0.003","15.784","0.005","78.919","0.011","88.635","0.014","77.553","0.013","1710","1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H43 B N2 O2 -","- C43 H43 B N2 O2 -","- C86 H86 B2 N4 O4 -","2","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0946","0.0536","","","0.1221","0.147","","","","","","1.053","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153417","12.662","0.003","16.559","0.003","19.055","0.004","90","","107.376","0.009","90","","3812.9","1.4","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H55 B Br N3 O2 -","- C39 H55 B Br N3 O2 -","- C156 H220 B4 Br4 N12 O8 -","4","2","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.16","0.0737","","","0.1593","0.1951","","","","","","1.026","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153418","9.031","0.002","13.255","0.005","19.555","0.006","96.453","0.013","90.315","0.011","106.498","0.011","2228.5","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H71 B Br N3 O2 -","- C47 H71 B Br N3 O2 -","- C94 H142 B2 Br2 N6 O4 -","2","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0703","0.0631","","","0.1646","0.1711","","","","","","1.165","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153419","13.723","0.003","14.488","0.002","23.592","0.005","90","","103.643","0.008","90","","4558.2","1.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H63 B Br N3 O2 -","- C51 H63 B Br N3 O2 -","- C204 H252 B4 Br4 N12 O8 -","4","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.1549","0.1291","","","0.3975","0.4262","","","","","","1.795","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153420","8.475","0.003","23.006","0.006","13.458","0.003","90","","98.08","0.01","90","","2597.9","1.3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H79 B Cl N3 O2 -","- C59 H79 B Cl N3 O2 -","- C118 H158 B2 Cl2 N6 O4 -","2","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0581","0.0441","","","0.0957","0.1019","","","","","","1.039","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153421","9.5396","0.0019","10.212","0.002","13.104","0.003","88.49","0.03","80.93","0.03","63.76","0.03","1129.3","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C50 H56 N4 O12 -","2","2","","Nugent, Thomas C.; Umar, M. Naveed; Bibi, Ahtaram","Picolylamine as an organocatalyst template for highly diastereo- and enantioselective aqueous aldol reactions.","Organic & biomolecular chemistry","2010","8","18","4085","4089","10.1039/c0ob00049c","","","0.71073","MoKα","","0.0391","0.0334","","","0.0753","0.0772","","","","","","0.983","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153422","13.4071","0.0014","12.1653","0.0009","16.2492","0.0017","90","","109.414","0.011","90","","2499.6","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 O Si -","- C29 H38 O Si -","- C116 H152 O4 Si4 -","4","1","","Schmidt, Arndt W.; Olpp, Thomas; Baum, Elke; Stiffel, Tina; Knölker, Hans-Joachim","Organosilicon-mediated total synthesis of the triquinane sesquiterpenes (±)-β-isocomene and (±)-isocomene.","Organic & biomolecular chemistry","2010","8","20","4562","4568","10.1039/c0ob00051e","","","0.71073","MoKα","","0.057","0.0481","","","0.1275","0.1316","","","","","","1.035","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153423","9.0724","0.0004","9.7915","0.0004","14.0849","0.0007","89.657","0.003","77.662","0.004","82.933","0.003","1212.75","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C48 H40 N8 O24 -","4","2","","Shanbhag, Pramod; Nareddy, Pradeep R.; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Rauhut-Currier type homo- and heterocouplings involving nitroalkenes and nitrodienes.","Organic & biomolecular chemistry","2010","8","21","4867","4873","10.1039/c0ob00062k","","","0.71073","MoKα","","0.0594","0.0374","","","0.0818","0.0922","","","","","","1.014","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153424","10.0252","0.0006","6.6763","0.0004","20.0548","0.0012","90","","93.224","0.001","90","","1340.17","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Ravelli, Davide; Zema, Michele; Mella, Mariella; Fagnoni, Maurizio; Albini, Angelo","Benzoyl radicals from (hetero)aromatic aldehydes. Decatungstate photocatalyzed synthesis of substituted aromatic ketones.","Organic & biomolecular chemistry","2010","8","18","4158","4164","10.1039/c0ob00066c","","","0.71073","MoKα","","0.1102","0.0581","","","0.1253","0.1469","","","","","","1.016","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153425","9.64","0.0004","5.6225","0.0002","17.8376","0.0007","90","","100.381","0.002","90","","950.99","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N4 O -","- C11 H8 N4 O -","- C44 H32 N16 O4 -","4","1","","Gaywood, Alexander P.; McNab, Hamish","3-Hydroxypyrrolo[2,3-b]pyridine and related compounds - indoxyl analogues with fused electron deficient rings.","Organic & biomolecular chemistry","2010","8","22","5166","5173","10.1039/c0ob00076k","","","0.71073","MoKα","","0.0578","0.0491","","","0.1185","0.1248","","","","","","1.045","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153426","8.5561","0.0002","15.6585","0.0004","17.715","0.0004","90","","90","","90","","2373.38","0.1","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H35 B K N3 O7 -","- C18 H35 B K N3 O7 -","- C72 H140 B4 K4 N12 O28 -","4","1","","Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger","Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.","Organic & biomolecular chemistry","2010","8","21","4849","4854","10.1039/c0ob00099j","","","0.7107","MoKα","","0.0872","0.038","","","0.058","0.0694","","","","","","0.88","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153427","8.51","0.0002","14.5204","0.0004","15.9909","0.0003","90","","95.544","0.002","90","","1966.73","0.08","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H60 B2 K2 N2 O14 -","- C28 H60 B2 K2 N2 O14 -","- C56 H120 B4 K4 N4 O28 -","2","0.5","","Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger","Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.","Organic & biomolecular chemistry","2010","8","21","4849","4854","10.1039/c0ob00099j","","","0.7107","MoKα","","0.1097","0.0383","","","0.0774","0.1056","","","","","","0.991","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153428","8.0562","0.0003","18.4484","0.0006","15.3958","0.0006","90","","100.588","0.003","90","","2249.23","0.14","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H35 B N Na O8 -","- C17 H35 B N Na O8 -","- C68 H140 B4 N4 Na4 O32 -","4","1","","Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger","Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.","Organic & biomolecular chemistry","2010","8","21","4849","4854","10.1039/c0ob00099j","","","1.54186","CuKα","","0.0589","0.0529","","","0.1479","0.1514","","","","","","1.097","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153429","20.6439","0.0007","14.6541","0.0004","8.4379","0.0003","90","","90","","90","","2552.61","0.14","183","2","183","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H36 B K N1.5 O7 -","- C22 H35 B K N1.5 O7 -","- C88 H140 B4 K4 N6 O28 -","4","1","","Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger","Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.","Organic & biomolecular chemistry","2010","8","21","4849","4854","10.1039/c0ob00099j","","","0.7107","MoKα","","0.1202","0.0569","","","0.0848","0.0961","","","","","","0.933","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153430","8.4146","0.0002","18.1567","0.0004","13.8651","0.0004","90","","105.663","0.003","90","","2039.67","0.09","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H32 B Na O8 -","- C15 H32 B Na O8 -","- C60 H128 B4 Na4 O32 -","4","2","","Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger","Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.","Organic & biomolecular chemistry","2010","8","21","4849","4854","10.1039/c0ob00099j","","","0.7107","MoKα","","0.068","0.0483","","","0.1014","0.1154","","","","","","1.083","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153431","6.0756","0.0002","6.6423","0.0002","7.3505","0.0002","80.5318","0.0012","84.2434","0.0012","89.0269","0.0012","291.12","0.015","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C9 H15 N O7 S -","- C9 H15 N O7 S -","- C9 H15 N O7 S -","1","1","","Wyszynski, Filip J.; Thompson, Amber L.; Davis, Benjamin G.","Inverted regioselectivity of C-H amination: Unexpected oxidation at beta- rather than gamma-C-H.","Organic & biomolecular chemistry","2010","8","19","4246","4248","10.1039/c0ob00113a","","","0.71073","MoKα","","0.0238","0.0232","","0.057","0.0567","0.057","","","","","","1.0079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153432","5.1445","0.0009","14.134","0.002","8.0639","0.0015","90","","90","","90","","586.35","0.17","150","","150","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C7 H5 N O2 -","- C7 H5 N O2 -","- C28 H20 N4 O8 -","4","0.5","","McNab, Hamish; Montgomery, James; Parsons, Simon; Tredgett, David G.","Pyrrolizine-1,3-dione.","Organic & biomolecular chemistry","2010","8","19","4383","4387","10.1039/c0ob00116c","","","1.54184","CuKα","","0.0329","0.0325","","","0.0862","0.0866","","","","","","1.07","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153433","6.1911","0.0003","7.8957","0.0004","21.7772","0.001","90","","91.924","0.003","90","","1063.94","0.09","150","","150","","","","","","","","J.Montgomery reaction JM31006","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C52 H36 N12 O8 -","4","1","","McNab, Hamish; Montgomery, James; Parsons, Simon; Tredgett, David G.","Pyrrolizine-1,3-dione.","Organic & biomolecular chemistry","2010","8","19","4383","4387","10.1039/c0ob00116c","","","0.71073","MoKα","","0.0589","0.0464","","0.1205","0.1179","0.1205","","","","","","0.974","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153434","5.9598","0.0005","5.2424","0.0004","30.618","0.002","90","","94.207","0.002","90","","954.04","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H35 N O2 -","- C18 H35 N O2 -","- C36 H70 N2 O4 -","2","1","","Kumar, Pradeep; Dubey, Abhishek; Puranik, Vedavati G.","A general and concise asymmetric synthesis of sphingosine, safingol and phytosphingosines via tethered aminohydroxylation.","Organic & biomolecular chemistry","2010","8","22","5074","5086","10.1039/c0ob00117a","","","0.71073","MoKα","","0.0975","0.0732","","","0.1667","0.1788","","","","","","1.182","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153435","12.022","0.005","11.403","0.005","17.406","0.01","90","","95.445","0.011","90","","2375","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C120 H80 N16 O16 -","8","2","","Wang, Lina; Qin, Wenwu; Tang, Xiaoliang; Dou, Wei; Liu, Weisheng; Teng, Qingfeng; Yao, Xiaojun","A selective, cell-permeable fluorescent probe for Al3+ in living cells.","Organic & biomolecular chemistry","2010","8","16","3751","3757","10.1039/c0ob00123f","","","0.71073","MoKα","","0.1002","0.0703","","","0.1604","0.1826","","","","","","1.016","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153436","10.0844","0.0002","12.613","0.0003","32.3426","0.0007","90","","98.77","0.001","90","","4065.7","0.15","120","2","120","2","","","","","","","Masafumi Yano","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 N10 O3 -","- C41 H60 N10 O3 -","- C164 H240 N40 O12 -","4","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71073","MoKα","","0.1074","0.0745","","","0.1336","0.1495","","","","","","1.084","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153437","10.0381","0.0005","13.1722","0.0006","31.7659","0.0015","90","","96.894","0.002","90","","4169.8","0.3","120","2","120","2","","","","","","","Masafumi Yano","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 N10 O3 -","- C42 H62 N10 O3 -","- C168 H248 N40 O12 -","4","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71073","MoKα","","0.1709","0.1101","","","0.2636","0.2949","","","","","","1.042","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153438","10.5501","0.0001","27.0192","0.0006","19.2592","0.0004","90","","92.785","0.001","90","","5483.45","0.17","120","2","120","2","","","","","","","Masafumi Yano","5","P 1 21/m 1","-P 2yb","11","","","","- C55 H88 Cl N11 O -","- C55 H88 Cl N11 O -","- C220 H352 Cl4 N44 O4 -","4","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71073","MoKα","","0.1274","0.0889","","","0.1581","0.1784","","","","","","1.077","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153439","10.5941","0.0002","15.6673","0.0003","31.9512","0.0005","90","","96.975","0.001","90","","5264.04","0.16","120","2","120","2","","","","","","","Masafumi Yano","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H86 Cl N11 -","- C55 H86 Cl N11 -","- C220 H344 Cl4 N44 -","4","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71069","MoKα","","0.141","0.1182","","","0.2964","0.3195","","","","","","0.945","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153440","11.4229","0.0004","13.7802","0.0004","13.8771","0.0004","102.52","0.002","92.138","0.002","113.665","0.001","1934.16","0.11","120","2","120","2","","","","","","","Masafumi Yano","4","P -1","-P 1","2","","","","- C41 H55 N11 O -","- C41 H55 N11 O -","- C82 H110 N22 O2 -","2","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71073","MoKα","","0.1168","0.0779","","","0.1453","0.1658","","","","","","1.056","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153441","10.5918","0.0008","27.1141","0.0018","19.2001","0.0011","90","","92.771","0.004","90","","5507.6","0.6","120","2","120","2","","","","","","","Masafumi Yano","5","P 1 21/m 1","-P 2yb","11","","","","- C55 H88 Br N11 O -","- C55 H89 Br N11 O -","- C220 H356 Br4 N44 O4 -","4","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71073","MoKα","","0.1983","0.1243","","","0.2127","0.2467","","","","","","1.109","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153442","10.9909","0.001","13.0053","0.0011","20.0553","0.0018","90","","90","","90","","2866.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-(1,1-bis(4-dimethylaminophenyl)vinyl)-3-phenyl-1H- naphtho(2,1-b)pyran","1-(1,1-bis(4-dimethylaminophenyl)vinyl)-3-phenyl-1H-naphtho[2,1-b]pyran","","- C37 H34 N2 O -","- C37 H34 N2 O -","- C148 H136 N8 O4 -","4","1","","Gabbutt, Christopher D.; Heron, B. Mark; Kilner, Colin; Kolla, Suresh B.","The influence of a 1,1-diarylvinyl moiety on the photochromism of naphthopyrans.","Organic & biomolecular chemistry","2010","8","21","4874","4883","10.1039/c0ob00141d","","","0.71073","MoKα","","0.0669","0.0431","","","0.0957","0.1087","","","","","","1.063","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153443","6.607","0.003","10.212","0.004","20.641","0.008","90","","90","","90","","1392.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br N O3 -","- C14 H14 Br N O3 -","- C56 H56 Br4 N4 O12 -","4","1","","Yu, Feng; Jin, Zhichao; Huang, Huicai; Ye, Tingting; Liang, Xinmiao; Ye, Jinxing","A highly efficient asymmetric Michael addition of α,α-disubstituted aldehydes to maleimides catalyzed by primary amine thiourea salt.","Organic & biomolecular chemistry","2010","8","20","4767","4774","10.1039/c0ob00154f","","","0.71073","MoKα","","0.0511","0.0398","","","0.0822","0.085","","","","","","0.913","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153444","9.8821","0.0003","7.5462","0.0002","14.9402","0.0004","90","","100.517","0.003","90","","1095.41","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C48 H32 I4 N12 -","4","1","","Mukhopadhyay, Chhanda; Tapaswi, Pradip Kumar; Butcher, Ray J.","A ligand-free copper (1) catalysed intramolecular N-arylation of diazoaminobenzenes in PEG-water: an expeditious protocol towards regiospecific 1-aryl benzotriazoles.","Organic & biomolecular chemistry","2010","8","20","4720","4729","10.1039/c0ob00177e","","","1.54184","CuKα","","0.0363","0.0341","","","0.0908","0.0922","","","","","","1.045","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153445","12.1674","0.0003","6.98587","0.00015","12.7296","0.0003","90","","107.201","0.003","90","","1033.62","0.04","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N4 O2 -","- C12 H8 N4 O2 -","- C48 H32 N16 O8 -","4","1","","Mukhopadhyay, Chhanda; Tapaswi, Pradip Kumar; Butcher, Ray J.","A ligand-free copper (1) catalysed intramolecular N-arylation of diazoaminobenzenes in PEG-water: an expeditious protocol towards regiospecific 1-aryl benzotriazoles.","Organic & biomolecular chemistry","2010","8","20","4720","4729","10.1039/c0ob00177e","","","1.54184","CuKα","","0.04","0.0365","","","0.1047","0.1078","","","","","","1.047","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153446","16.977","0.003","13.692","0.003","11.959","0.002","90","","90","","90","","2779.9","0.9","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C35 H32 O5 -","- C35 H32 O5 -","- C140 H128 O20 -","4","1","","Nair, Vijay; Vellalath, Sreekumar; Babu, Beneesh P.; Varghese, Vimal; Paul, Rony Rajan; Suresh, Eringathodi","NHC-catalysed annulation of enals to tethered dienones: efficient synthesis of bicyclic dienes.","Organic & biomolecular chemistry","2010","8","21","4861","4866","10.1039/c0ob00180e","","","0.71073","MoKα","","0.1054","0.0783","","","0.133","0.143","","","","","","1.071","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153447","11.2657","0.0018","6.0004","0.001","19.842","0.003","90","","94.626","0.002","90","","1336.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C52 H68 N4 O20 -","4","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar","Sequential combination of Michael and acetalization reactions: direct catalytic asymmetric synthesis of functionalized 4-nitromethyl-chromans as drug intermediates.","Organic & biomolecular chemistry","2010","8","19","4259","4265","10.1039/c0ob00189a","","","0.71073","MoKα","","0.0632","0.0558","","","0.1444","0.1526","","","","","","1.056","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153448","8.85","0.003","6.326","0.002","23.884","0.009","90","","95.201","0.006","90","","1331.6","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C52 H68 N4 O20 -","4","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar","Sequential combination of Michael and acetalization reactions: direct catalytic asymmetric synthesis of functionalized 4-nitromethyl-chromans as drug intermediates.","Organic & biomolecular chemistry","2010","8","19","4259","4265","10.1039/c0ob00189a","","","0.71073","MoKα","","0.0798","0.0656","","","0.1424","0.1493","","","","","","1.181","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153449","10.7266","0.0017","11.6724","0.0015","11.4931","0.0013","90","","93.195","0.015","90","","1436.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar","Sequential combination of Michael and acetalization reactions: direct catalytic asymmetric synthesis of functionalized 4-nitromethyl-chromans as drug intermediates.","Organic & biomolecular chemistry","2010","8","19","4259","4265","10.1039/c0ob00189a","","","0.71073","MoKα","","0.0694","0.0499","","","0.124","0.1317","","","","","","1.033","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153450","7.8211","0.0007","14.9825","0.0012","21.5278","0.0018","90","","94.026","0.001","90","","2516.4","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N3 -","- C32 H33 N3 -","- C128 H132 N12 -","4","1","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Sanchez-Andrada, Pilar; Vidal, Angel; Orenes, Raul-Angel","Domino reactions initiated by intramolecular hydride transfers from tri(di)arylmethane fragments to ketenimine and carbodiimide functions.","Organic & biomolecular chemistry","2010","8","20","4690","4700","10.1039/c0ob00193g","","","0.71073","MoKα","","0.0698","0.0589","","","0.1217","0.1271","","","","","","1.125","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153451","9.5349","0.0014","10.3815","0.0015","13.64","0.002","68.248","0.002","71.532","0.002","65.462","0.002","1119.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O2 -","- C30 H27 N O2 -","- C60 H54 N2 O4 -","2","1","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Sanchez-Andrada, Pilar; Vidal, Angel; Orenes, Raul-Angel","Domino reactions initiated by intramolecular hydride transfers from tri(di)arylmethane fragments to ketenimine and carbodiimide functions.","Organic & biomolecular chemistry","2010","8","20","4690","4700","10.1039/c0ob00193g","","","0.71073","MoKα","","0.0625","0.0506","","","0.1127","0.1189","","","","","","1.076","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153452","9.942","0.0004","19.4575","0.0007","23.8119","0.0009","90","","90","","90","","4606.3","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C33 H25 N -","- C33 H25 N -","- C264 H200 N8 -","8","1","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Sanchez-Andrada, Pilar; Vidal, Angel; Orenes, Raul-Angel","Domino reactions initiated by intramolecular hydride transfers from tri(di)arylmethane fragments to ketenimine and carbodiimide functions.","Organic & biomolecular chemistry","2010","8","20","4690","4700","10.1039/c0ob00193g","","","0.71073","MoKα","","0.0555","0.0504","","","0.1222","0.1259","","","","","","1.046","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153453","8.6296","0.0005","11.381","0.0007","15.5193","0.0009","104.522","0.002","102.416","0.002","96.09","0.002","1420.21","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H37 N3 -","- C38 H37 N3 -","- C76 H74 N6 -","2","1","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Sanchez-Andrada, Pilar; Vidal, Angel; Orenes, Raul-Angel","Domino reactions initiated by intramolecular hydride transfers from tri(di)arylmethane fragments to ketenimine and carbodiimide functions.","Organic & biomolecular chemistry","2010","8","20","4690","4700","10.1039/c0ob00193g","","","0.71073","MoKα","","0.0718","0.0538","","","0.1136","0.1216","","","","","","1.016","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153454","4.753","0.003","12.723","0.007","9.586","0.006","90","","93.749","0.014","90","","578.4","0.6","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H11 Br N2 O2 -","- C11 H11 Br N2 O2 -","- C22 H22 Br2 N4 O4 -","2","1","","Leng, Dong-Hui; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang","Highly efficient and enantioselective biotransformations of β-lactam carbonitriles and carboxamides and their synthetic applications.","Organic & biomolecular chemistry","2010","8","20","4736","4743","10.1039/c0ob00198h","","","0.71073","MoKα","","0.0581","0.0523","","","0.0898","0.0913","","","","","","0.974","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153455","6.634","0.003","9.052","0.003","14.778","0.006","90","","90","","90","","887.4","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 I N O2 -","- C7 H10 I N O2 -","- C28 H40 I4 N4 O8 -","4","1","","Leng, Dong-Hui; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang","Highly efficient and enantioselective biotransformations of β-lactam carbonitriles and carboxamides and their synthetic applications.","Organic & biomolecular chemistry","2010","8","20","4736","4743","10.1039/c0ob00198h","","","0.71073","MoKα","","0.0479","0.0438","","","0.0948","0.0978","","","","","","1.144","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153456","8.9276","0.0002","14.5482","0.0004","10.1033","0.0004","90","","109.57","0.001","90","","1236.42","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N4 O2 -","- C30 H30 N4 O2 -","- C60 H60 N8 O4 -","2","0.5","","Wood, Mark E.; Bissiriou, Sabine; Lowe, Christopher; Norrish, Andrew M.; Sénéchal, Katell; Windeatt, Kim M.; Coles, Simon J.; Hursthouse, Michael B.","Synthetic use of the primary kinetic isotope effect in hydrogen atom transfer: generation of α-aminoalkyl radicals.","Organic & biomolecular chemistry","2010","8","20","4653","4665","10.1039/c0ob00205d","","","0.71073","MoKα","","0.0582","0.0412","","","0.105","0.1158","","","","","","1.027","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153457","6.886","0.002","9.252","0.003","26.755","0.008","90","","96.481","0.005","90","","1693.6","0.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O2 S2 -","- C18 H18 N2 O2 S2 -","- C72 H72 N8 O8 S8 -","4","1","","von Delius, Max; Geertsema, Edzard M.; Leigh, David A.; Slawin, Alexandra M. Z.","Synthesis and solid state structure of a hydrazone-disulfide macrocycle and its dynamic covalent ring-opening under acidic and basic conditions.","Organic & biomolecular chemistry","2010","8","20","4617","4624","10.1039/c0ob00214c","","","0.71073","MoKα","","0.0553","0.0517","","","0.1273","0.1344","","","","","","0.949","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153458","13.2985","0.0012","7.5621","0.0007","14.0449","0.0011","90","","96.24","0.004","90","","1404.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triazolobenzodiazepinone","","","- C17 H14 N4 O -","- C17 H14 N4 O -","- C68 H56 N16 O4 -","4","1","","Chowdhury, Chinmay; Sasmal, Anup Kumar; Achari, Basudeb","An expedient and facile route for the general synthesis of 3-aryl substituted 1,2,3-triazolo[1,5-a][1,4]benzodiazepin-6-ones and 1,2,3-triazolo[1,5-a][1,5]benzodiazocin-7-ones.","Organic & biomolecular chemistry","2010","8","21","4971","4977","10.1039/c0ob00217h","","","0.71073","MoKα","","0.0803","0.0508","","","0.1389","0.1747","","","","","","0.845","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153459","8.459","0.004","9.484","0.004","18.978","0.008","90","","90","","90","","1522.5","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triazolobenzodiazocine","","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C72 H64 N16 O4 -","4","1","","Chowdhury, Chinmay; Sasmal, Anup Kumar; Achari, Basudeb","An expedient and facile route for the general synthesis of 3-aryl substituted 1,2,3-triazolo[1,5-a][1,4]benzodiazepin-6-ones and 1,2,3-triazolo[1,5-a][1,5]benzodiazocin-7-ones.","Organic & biomolecular chemistry","2010","8","21","4971","4977","10.1039/c0ob00217h","","","0.71073","MoKα","","0.0494","0.0439","","","0.1203","0.1274","","","","","","0.782","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153460","7.2935","0.0002","12.373","0.0003","20.6291","0.0005","90","","90","","90","","1861.62","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cl N3 O S -","- C20 H18 Cl N3 O S -","- C80 H72 Cl4 N12 O4 S4 -","4","1","","Kumar, Varun; Raghavaiah, Pallepogu; Mobin, Shaikh M.; Nair, Vipin A.","Diastereoselective syntheses of 3-aryl-5-(arylalkyl)-6-methyl-1-(1-phenylethyl)thioxotetrahydropyrimidin-4(1H)-ones: a stereochemical perspective from endo and exocyclic chiral centres.","Organic & biomolecular chemistry","2010","8","21","4960","4970","10.1039/c0ob00230e","","","0.71073","MoKα","","0.0283","0.0254","","","0.0643","0.0652","","","","","","1.04","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153461","7.5879","0.0002","10.1912","0.0002","24.2981","0.0004","90","","90","","90","","1878.97","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cl N3 O S -","- C20 H18 Cl N3 O S -","- C80 H72 Cl4 N12 O4 S4 -","4","1","","Kumar, Varun; Raghavaiah, Pallepogu; Mobin, Shaikh M.; Nair, Vipin A.","Diastereoselective syntheses of 3-aryl-5-(arylalkyl)-6-methyl-1-(1-phenylethyl)thioxotetrahydropyrimidin-4(1H)-ones: a stereochemical perspective from endo and exocyclic chiral centres.","Organic & biomolecular chemistry","2010","8","21","4960","4970","10.1039/c0ob00230e","","","0.71073","MoKα","","0.0226","0.0211","","","0.0567","0.0571","","","","","","1.073","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153462","9.754","0.0009","9.3273","0.0008","13.3001","0.0012","90","","89.9","","90","","1210.02","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H23 Cl2 N3 O S -","- C27 H23 Cl2 N3 O S -","- C54 H46 Cl4 N6 O2 S2 -","2","1","","Kumar, Varun; Raghavaiah, Pallepogu; Mobin, Shaikh M.; Nair, Vipin A.","Diastereoselective syntheses of 3-aryl-5-(arylalkyl)-6-methyl-1-(1-phenylethyl)thioxotetrahydropyrimidin-4(1H)-ones: a stereochemical perspective from endo and exocyclic chiral centres.","Organic & biomolecular chemistry","2010","8","21","4960","4970","10.1039/c0ob00230e","","","0.71073","MoKα","","0.0443","0.0435","","","0.1125","0.1133","","","","","","1.025","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153463","10.8114","0.0011","10.9871","0.0011","11.0108","0.0011","90","","107.048","0.002","90","","1250.5","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H23 Cl2 N3 O S -","- C27 H23 Cl2 N3 O S -","- C54 H46 Cl4 N6 O2 S2 -","2","1","","Kumar, Varun; Raghavaiah, Pallepogu; Mobin, Shaikh M.; Nair, Vipin A.","Diastereoselective syntheses of 3-aryl-5-(arylalkyl)-6-methyl-1-(1-phenylethyl)thioxotetrahydropyrimidin-4(1H)-ones: a stereochemical perspective from endo and exocyclic chiral centres.","Organic & biomolecular chemistry","2010","8","21","4960","4970","10.1039/c0ob00230e","","","0.71073","MoKα","","0.0289","0.0282","","","0.0689","0.0694","","","","","","1.033","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153464","7.3179","0.0006","15.6561","0.0013","11.4483","0.001","90","","103.461","0.001","90","","1275.6","0.19","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Ando, Masaru; Sasahara, Yuich; Kamataki, Norifumi; Ohta, Mai; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Generation and amplification of optical activity of axially chiral N-(1-naphthyl)-2(1H)-pyrimidinethione by crystallization.","Organic & biomolecular chemistry","2010","8","23","5418","5422","10.1039/c0ob00262c","","","0.71073","MoKα","","0.0504","0.0443","","","0.1196","0.1236","","","","","","1.017","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153465","7.6223","0.0003","7.6223","0.0003","23.186","0.002","90","","90","","90","","1347.09","0.14","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H14 N2 S -","- C16 H14 N2 S -","- C64 H56 N8 S4 -","4","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Ando, Masaru; Sasahara, Yuich; Kamataki, Norifumi; Ohta, Mai; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Generation and amplification of optical activity of axially chiral N-(1-naphthyl)-2(1H)-pyrimidinethione by crystallization.","Organic & biomolecular chemistry","2010","8","23","5418","5422","10.1039/c0ob00262c","","","0.71073","MoKα","","0.0467","0.0384","","","0.0892","0.0938","","","","","","1.034","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153466","8.6456","0.0006","8.991","0.0006","14.7003","0.001","80.205","0.001","74.677","0.001","73.241","0.001","1049.79","0.12","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H10 Co2 O8 -","- C23 H10 Co2 O8 -","- C46 H20 Co4 O16 -","2","1","","Moulton, Benjamin E.; Lynam, Jason M.; Duhme-Klair, Anne-Kathrin; Zheng, Wenxu; Lin, Zhenyang; Fairlamb, Ian J. S.","Atropisomerisation in sterically hindered α,β-disubstituted cyclopentenones derived from an intermolecular cobalt(0)-mediated Pauson-Khand reaction.","Organic & biomolecular chemistry","2010","8","23","5398","5403","10.1039/c0ob00264j","","","0.71073","MoKα","","0.0346","0.029","","","0.0709","0.0737","","","","","","1.05","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153467","13.6217","0.0008","12.1491","0.0007","12.2859","0.0007","90","","111.679","0.001","90","","1889.4","0.19","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Moulton, Benjamin E.; Lynam, Jason M.; Duhme-Klair, Anne-Kathrin; Zheng, Wenxu; Lin, Zhenyang; Fairlamb, Ian J. S.","Atropisomerisation in sterically hindered α,β-disubstituted cyclopentenones derived from an intermolecular cobalt(0)-mediated Pauson-Khand reaction.","Organic & biomolecular chemistry","2010","8","23","5398","5403","10.1039/c0ob00264j","","","0.71073","MoKα","","0.0692","0.0464","","","0.1106","0.1213","","","","","","1.035","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153468","8.0395","0.0002","8.2771","0.0003","11.8814","0.0003","102.552","0.002","95.117","0.002","102.507","0.002","745.68","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","12b-Hydroxy-3,4-dimethoxy-5,12b-dihydro-6H-isoindolo(1,2- a)isoquinolin-8-one","12b-Hydroxy-3,4-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C36 H34 N2 O8 -","2","1","","Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj","An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides.","Organic & biomolecular chemistry","2010","8","18","4056","4058","10.1039/c0ob00269k","","","0.71073","MoKα","","0.059","0.044","","","0.118","0.1291","","","","","","1.041","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153469","12.353","0.003","15.906","0.004","8.5238","0.0019","90","","99.701","0.003","90","","1650.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","12b-Hydroxy-1,2,3-trimethoxy-5,12b-dihydro-6H-isoindolo(1,2- a)isoquinolin-8-one","12b-Hydroxy-1,2,3-trimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj","An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides.","Organic & biomolecular chemistry","2010","8","18","4056","4058","10.1039/c0ob00269k","","","0.71073","MoKα","","0.0766","0.0589","","","0.1265","0.1343","","","","","","1.139","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153470","8.508","0.003","10.588","0.003","16.707","0.005","90","","93.589","0.005","90","","1502.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","12b-Hydroxy-2,3-dimethoxy-5,12b-dihydro-6H-isoindolo(1,2- a)isoquinolin-8-one","12b-Hydroxy-2,3-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj","An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides.","Organic & biomolecular chemistry","2010","8","18","4056","4058","10.1039/c0ob00269k","","","0.71073","MoKα","","0.0954","0.0553","","","0.1152","0.1305","","","","","","1.021","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153471","11.202","0.005","6.303","0.003","21.577","0.01","90","","103.609","0.007","90","","1480.7","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","12b-Hydroxy-1,3-dimethoxy-5,12b-dihydro-6H-isoindolo(1,2- a)isoquinolin-8-one","12b-Hydroxy-1,3-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj","An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides.","Organic & biomolecular chemistry","2010","8","18","4056","4058","10.1039/c0ob00269k","","","0.71073","MoKα","","0.0962","0.0716","","","0.1904","0.2052","","","","","","1.072","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153472","11.6208","0.0006","16.2041","0.0008","7.1495","0.0003","90","","97.481","0.003","90","","1334.82","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","12b-Hydroxy-3-methoxy-5,12b-dihydro-6H-isoindolo(1,2- a)isoquinolin-8-one","12b-Hydroxy-3-methoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj","An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides.","Organic & biomolecular chemistry","2010","8","18","4056","4058","10.1039/c0ob00269k","","","0.71073","MoKα","","0.0844","0.0501","","","0.1225","0.1406","","","","","","1.023","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153473","10.299","0.0005","8.4437","0.0004","15.6262","0.0007","90","","95.396","0.004","90","","1352.86","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9,11-dimethoxy-1,2,3,6,7,11b-hexahydrobenzo(a)quinolizin-4-one","9,11-dimethoxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj","An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides.","Organic & biomolecular chemistry","2010","8","18","4056","4058","10.1039/c0ob00269k","","","0.71073","MoKα","","0.0903","0.0488","","","0.1146","0.1258","","","","","","0.999","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153474","6.76","0.003","7.753","0.004","15.097","0.007","85.324","0.018","83.591","0.017","77.658","0.017","766.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Br N5 O -","- C18 H12 Br N5 O -","- C36 H24 Br2 N10 O2 -","2","1","","Huang, Xiong; Li, Ping; Li, Xin-Sheng; Xu, Dong-Cheng; Xie, Jian-Wu","The organocatalytic two-step synthesis of diversely functionalized tricyclic tetrazoles.","Organic & biomolecular chemistry","2010","8","20","4527","4529","10.1039/c0ob00272k","","","0.71073","MoKα","","","0.0714","","","0.1543","0.1976","","","","","","1.018","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153475","39.577","0.012","6.966","0.002","18.429","0.006","90","","116.465","0.004","90","","4548","2","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H90 Br4 N4 O17 S4 -","- C96 H90 Br4 N4 O17 S4 -","- C192 H180 Br8 N8 O34 S8 -","2","0.25","","Sun, Hao; Zhang, Guangqian; Zhi, Sanjun; Han, Jianlin; Li, Guigen; Pan, Yi","Copper-catalyzed aminobromination/elimination process: an efficient access to alpha,beta-unsaturated vicinal haloamino ketones and esters.","Organic & biomolecular chemistry","2010","8","19","4236","4239","10.1039/c0ob00283f","","","0.71073","MoKα","","0.085","0.0537","","","0.1037","0.1108","","","","","","1.038","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153476","14.2872","0.0018","11.9099","0.0015","16.8217","0.0016","90","","121.648","0.008","90","","2436.7","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Br N O4 S -","- C25 H26 Br N O4 S -","- C100 H104 Br4 N4 O16 S4 -","4","1","","Sun, Hao; Zhang, Guangqian; Zhi, Sanjun; Han, Jianlin; Li, Guigen; Pan, Yi","Copper-catalyzed aminobromination/elimination process: an efficient access to alpha,beta-unsaturated vicinal haloamino ketones and esters.","Organic & biomolecular chemistry","2010","8","19","4236","4239","10.1039/c0ob00283f","","","0.71073","MoKα","","0.0808","0.0607","","","0.1264","0.1308","","","","","","1.082","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153477","10.5553","0.0014","8.6908","0.0012","26.008","0.003","90","","109.346","0.004","90","","2251.1","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Br N O4 S -","- C24 H22 Br N O4 S -","- C96 H88 Br4 N4 O16 S4 -","4","1","","Sun, Hao; Zhang, Guangqian; Zhi, Sanjun; Han, Jianlin; Li, Guigen; Pan, Yi","Copper-catalyzed aminobromination/elimination process: an efficient access to alpha,beta-unsaturated vicinal haloamino ketones and esters.","Organic & biomolecular chemistry","2010","8","19","4236","4239","10.1039/c0ob00283f","","","0.71073","MoKα","","0.0611","0.0507","","","0.1207","0.1241","","","","","","1.081","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153478","6.89","0.0003","13.781","0.0005","18.112","0.0009","90","","94.503","0.001","90","","1714.45","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl2 N6 O2 -","- C17 H12 Cl2 N6 O2 -","- C68 H48 Cl8 N24 O8 -","4","1","","Altuğ, Cevher; Dürüst, Yasar; Elliott, Mark C.; Kariuki, Benson M.; Rorstad, Tillique; Zaal, Mark","Reaction of heterocyclic enamines with nitrile oxide and nitrilimine precursors.","Organic & biomolecular chemistry","2010","8","21","4978","4986","10.1039/c0ob00286k","","","0.71073","MoKα","","0.1173","0.0848","","","0.1884","0.2052","","","","","","1.101","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153479","10.439","0.0007","8.2177","0.0007","20.2299","0.0013","90","","102.142","0.004","90","","1696.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Altuğ, Cevher; Dürüst, Yasar; Elliott, Mark C.; Kariuki, Benson M.; Rorstad, Tillique; Zaal, Mark","Reaction of heterocyclic enamines with nitrile oxide and nitrilimine precursors.","Organic & biomolecular chemistry","2010","8","21","4978","4986","10.1039/c0ob00286k","","","0.71073","MoKα","","0.0921","0.0588","","","0.1236","0.1395","","","","","","1.098","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153480","37.523","0.003","11.2668","0.0006","21.482","0.0017","90","","120.074","0.01","90","","7859.2","1.3","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(8Z,8'Z)-1,1',6,6'-tetrahydroxy-3,3'-dimethyl-8,8'-bis((3- (morpholin-4-yl)propan-1)amino)-5,5'-di(propan-2-yl)-2,2'-binaphthalene- 7,7'(8H,8'H)-dione","(8Z,8'Z)-1,1',6,6'-tetrahydroxy-3,3'-dimethyl-8,8'- bis([3-(morpholin-4-yl)propan-1]amino)- 5,5'-di(propan-2-yl)-2,2'-binaphthalene-7,7'(8H,8'H)-dione","","- C44 H58 N4 O8 -","- C44 H58 N4 O8 -","- C352 H464 N32 O64 -","8","1","","Przybylski, Piotr; Pyta, Krystian; Czupryniak, Justyna; Wicher, Barbara; Gdaniec, Maria; Ossowski, Tadeusz; Brzezinski, Bogumił","The influence of protonation on molecular structure and physico-chemical properties of gossypol Schiff bases.","Organic & biomolecular chemistry","2010","8","24","5511","5518","10.1039/c0ob00288g","","","1.54184","CuKα","","0.0842","0.0484","","","0.1286","0.1465","","","","","","1.032","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153481","11.001","0.002","11.945","0.002","20.385","0.005","90","","90","","90","","2678.7","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N'-(2S,7S,E)-1,1,1,8,8,8-hexafluorooct-4-ene-2,7-diyl)bis(N-(4- methoxylphenyl)acetamide)","","- C26 H28 F6 N2 O4 -","- C26 H28 F6 N2 O4 -","- C104 H112 F24 N8 O16 -","4","1","","Madelaine, Claire; Buriez, Olivier; Crousse, Benoît; Florent, Isabelle; Grellier, Philippe; Retailleau, Pascal; Six, Yvan","Aminocyclopropanes as precursors of endoperoxides with antimalarial activity.","Organic & biomolecular chemistry","2010","8","24","5591","5601","10.1039/c0ob00308e","","","0.71069","MoKα","","0.0409","0.035","","","0.0908","0.0955","","","","","","1.044","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153482","11.6442","0.0005","24.372","0.001","13.0153","0.0006","90","","98.82","0.001","90","","3650","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H36 O4 -","- C48 H36 O4 -","- C192 H144 O16 -","4","2","","Yu, Xiuzhao; Cao, Zhongyan; Zhang, Junliang","Organocatalytic hetero [4+2] cycloaddition reactions of 2-(1-alkynyl)-2-alkene-1-ones: metal-free access to highly substituted 4H-pyrans.","Organic & biomolecular chemistry","2010","8","22","5059","5061","10.1039/c0ob00334d","","","0.71073","MoKα","","0.0407","0.0344","","","0.084","0.0891","","","","","","1.026","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153483","34.71","0.007","42.495","0.009","15.363","0.003","90","","90","","90","","22660","8","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Proctolin","Arg-Tyr-Leu-Pro-Thr","","- C31 H42.82 N8 O12 -","- C30.9975 H42.8175 N8 O11.9975 -","- C495.96 H685.08 N128 O191.96 -","16","4","","Howard, Judith A. K.; Yufit, Dmitry S.; Chetina, Olga V.; Teat, Simon J.; Capelli, Silvia C.; Pattison, Philip","Crystal structure of the insect neuropeptide proctolin.","Organic & biomolecular chemistry","2010","8","22","5110","5112","10.1039/c0ob00345j","","","0.6899","synchrotron","","0.1155","0.1072","","","0.2952","0.31","","","","","","1.158","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153484","10.9532","0.0017","7.9598","0.0013","17.259","0.003","90","","96.705","0.002","90","","1494.4","0.4","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","melleumin A","melleumin A","","- C25 H29 N3 O8 -","- C28.68 H29 N3 O10.01 -","- C57.36 H58 N6 O20.02 -","2","1","","Arai, Midori A.; Hanazawa, Shuwa; Uchino, Yujiro; Li, Xiaofan; Ishibashi, Masami","Total synthesis and evaluation of Wnt signal inhibition of melleumin A and B, and their derivatives.","Organic & biomolecular chemistry","2010","8","23","5285","5293","10.1039/c0ob00352b","","","0.71073","MoKα","","0.0761","0.0693","","","0.1875","0.1984","","","","","","0.929","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153485","7.757","0.001","18.607","0.001","10.809","0.001","90","","92.211","0.002","90","","1559","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","methyl-6-benzyl-2-methyl-5-oxohexahydro-5H-(1,3)oxazolo (3,2- a)pyrazine-3-carboxylate","methyl-6-benzyl-2-methyl-5-oxohexahydro-5H-[1,3]oxazolo [3,2-a]pyrazine-3-carboxylate","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","2","","Trabocchi, Andrea; Stefanini, Irene; Morvillo, Manfredi; Ciofi, Leonardo; Cavalieri, Duccio; Guarna, Antonio","Chemical genetics approach to identify new small molecule modulators of cell growth by phenotypic screening of Saccharomyces cerevisiae strains with a library of morpholine-derived compounds.","Organic & biomolecular chemistry","2010","8","24","5552","5557","10.1039/c0ob00357c","","x-ray","1.54178","CuKα","","0.0696","0.0433","","","0.1","0.1126","","","","","","0.987","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153486","8.221","0.004","9.997","0.003","10.709","0.006","114.9","0.04","92.12","0.05","99.43","0.03","782","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl N O2 S -","- C16 H18 Cl N O2 S -","- C32 H36 Cl2 N2 O4 S2 -","2","1","","Kissane, Marie; Lynch, Denis; Chopra, Jay; Lawrence, Simon E.; Maguire, Anita R.","The influence of reaction conditions on the Diels-Alder cycloadditions of 2-thio-3-chloroacrylamides; investigation of thermal, catalytic and microwave conditions.","Organic & biomolecular chemistry","2010","8","24","5602","5613","10.1039/c0ob00368a","","","0.7107","MoKα","","0.1162","0.0669","","","0.1553","0.2003","","","","","","1.112","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153487","9.968","0.001","13.712","0.002","11.671","0.002","90","","99.67","0.01","90","","1572.5","0.4","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl N O2 S -","- C16 H18 Cl N O2 S -","- C64 H72 Cl4 N4 O8 S4 -","4","1","","Kissane, Marie; Lynch, Denis; Chopra, Jay; Lawrence, Simon E.; Maguire, Anita R.","The influence of reaction conditions on the Diels-Alder cycloadditions of 2-thio-3-chloroacrylamides; investigation of thermal, catalytic and microwave conditions.","Organic & biomolecular chemistry","2010","8","24","5602","5613","10.1039/c0ob00368a","","","0.7107","MoKα","","0.091","0.0436","","","0.1136","0.1307","","","","","","1.041","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153488","10.476","0.0008","6.7599","0.0005","14.5944","0.001","90","","93.438","0.004","90","","1031.67","0.13","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 O5 -","- C12 H8 O5 -","- C48 H32 O20 -","4","1","","Mkrtchyan, Satenik; Iaroshenko, Viktor O.; Dudkin, Sergii; Gevorgyan, Ashot; Vilches-Herrera, Marcelo; Ghazaryan, Gagik; Volochnyuk, Dmitriy M.; Ostrovskyi, Dmytro; Ahmed, Zeeshan; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","3-Methoxalylchromone‒a novel versatile reagent for the regioselective purine isostere synthesis.","Organic & biomolecular chemistry","2010","8","23","5280","5284","10.1039/c0ob00379d","","","0.71073","MoKα","","0.0946","0.0494","","","0.1225","0.1368","","","","","","1.011","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153489","12.244","0.009","14.288","0.01","26.562","0.019","90","","95.317","0.013","90","","4627","6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H22.5 N3.5 O5.5 -","- C26.5 H22.5 N3.5 O5.5 -","- C212 H180 N28 O44 -","8","1","","Mkrtchyan, Satenik; Iaroshenko, Viktor O.; Dudkin, Sergii; Gevorgyan, Ashot; Vilches-Herrera, Marcelo; Ghazaryan, Gagik; Volochnyuk, Dmitriy M.; Ostrovskyi, Dmytro; Ahmed, Zeeshan; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","3-Methoxalylchromone‒a novel versatile reagent for the regioselective purine isostere synthesis.","Organic & biomolecular chemistry","2010","8","23","5280","5284","10.1039/c0ob00379d","","","0.71073","MoKα","","0.1177","0.049","","","0.0892","0.1039","","","","","","0.954","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153490","15.5148","0.0004","8.3533","0.0002","12.6393","0.0003","90","","98.661","0.001","90","","1619.37","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O4 S -","- C17 H15 N3 O4 S -","- C68 H60 N12 O16 S4 -","4","1","","Mkrtchyan, Satenik; Iaroshenko, Viktor O.; Dudkin, Sergii; Gevorgyan, Ashot; Vilches-Herrera, Marcelo; Ghazaryan, Gagik; Volochnyuk, Dmitriy M.; Ostrovskyi, Dmytro; Ahmed, Zeeshan; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","3-Methoxalylchromone‒a novel versatile reagent for the regioselective purine isostere synthesis.","Organic & biomolecular chemistry","2010","8","23","5280","5284","10.1039/c0ob00379d","","","0.71073","MoKα","","0.048","0.0377","","","0.1017","0.1068","","","","","","1.059","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153491","6.03265","0.00006","14.26965","0.00012","16.47322","0.00013","90","","90","","90","","1418.08","0.02","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","12-Hydroxy-11b-methyl-11b,12-dihydro-11a-aza-indeno(2,1- a)fluoren-11-one","12-Hydroxy-11b-methyl-11b,12-dihydro-11a-aza-indeno[2,1-a]fluoren-11-one","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","1","","Chamas, Zein el abidine; Dietz, Olivier; Aubert, Emmanuel; Fort, Yves; Mamane, Victor","Synthesis of new pentacyclic chromophores through a highly regio- and diastereoselective cascade process.","Organic & biomolecular chemistry","2010","8","21","4815","4818","10.1039/c0ob00390e","","","0.71073","MoKα","","0.0367","0.0331","","","0.0907","0.0922","","","","","","1.084","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153492","4.0331","0.00007","15.7754","0.0002","22.1253","0.0003","90","","90","","90","","1407.69","0.04","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","12-Hydroxy-5-methyl-11b,12-dihydro-11a-aza-indeno(2,1- a)fluoren-11-one","12-Hydroxy-5-methyl-11b,12-dihydro-11a-aza-indeno[2,1-a]fluoren-11-one","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","1","","Chamas, Zein el abidine; Dietz, Olivier; Aubert, Emmanuel; Fort, Yves; Mamane, Victor","Synthesis of new pentacyclic chromophores through a highly regio- and diastereoselective cascade process.","Organic & biomolecular chemistry","2010","8","21","4815","4818","10.1039/c0ob00390e","","","0.71073","MoKα","","0.05","0.0476","","","0.1236","0.1248","","","","","","1.209","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153493","5.6129","0.0001","19.2298","0.0003","32.3685","0.0005","90","","93.166","0.001","90","","3488.36","0.1","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 N3 O8 -","- C44 H37 N3 O8 -","- C176 H148 N12 O32 -","4","1","","Chamas, Zein el abidine; Dietz, Olivier; Aubert, Emmanuel; Fort, Yves; Mamane, Victor","Synthesis of new pentacyclic chromophores through a highly regio- and diastereoselective cascade process.","Organic & biomolecular chemistry","2010","8","21","4815","4818","10.1039/c0ob00390e","","","1.54184","CuKα","","0.0485","0.0456","","","0.1151","0.1169","","","","","","1.042","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153494","17.8305","0.0002","5.3631","0.0001","16.2017","0.0002","90","","90","","90","","1549.32","0.04","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Huo, Yingpeng; Qiu, Xu; Shao, Weiyan; Huang, Jianing; Yu, Yanjun; Zuo, Yinglin; An, Linkun; Du, Jun; Bu, Xianzhang","New fluorescent trans-dihydrofluoren-3-ones from aldol-Robinson annulation-regioselective addition involved one-pot reaction.","Organic & biomolecular chemistry","2010","8","22","5048","5052","10.1039/c0ob00401d","","","1.54178","CuKα","","0.0285","0.0285","","","0.0768","0.0768","","","","","","1.029","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153495","7.8562","0.0004","11.9575","0.0006","23.0397","0.0011","90","","95.316","0.003","90","","2155.05","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 Br Cl N O2 -","- C22 H31 Br Cl N O2 -","- C88 H124 Br4 Cl4 N4 O8 -","4","1","","Burrell, Adam J. M.; Watson, Luke; Martin, Nathaniel G.; Oram, Niall; Coldham, Iain","Synthesis of the core ring system of the stemona alkaloids by cascade condensation, cyclization, intramolecular cycloaddition.","Organic & biomolecular chemistry","2010","8","20","4530","4532","10.1039/c0ob00408a","","","0.71073","MoKα","","0.0754","0.0433","","","0.1096","0.1262","","","","","","1.03","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153496","13.1393","0.0007","7.7782","0.0004","17.9896","0.0009","90","","102.927","0.003","90","","1791.94","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N O2 S -","- C20 H29 N O2 S -","- C80 H116 N4 O8 S4 -","4","1","","Burrell, Adam J. M.; Watson, Luke; Martin, Nathaniel G.; Oram, Niall; Coldham, Iain","Synthesis of the core ring system of the stemona alkaloids by cascade condensation, cyclization, intramolecular cycloaddition.","Organic & biomolecular chemistry","2010","8","20","4530","4532","10.1039/c0ob00408a","","","0.71073","MoKα","","0.0615","0.0421","","","0.0981","0.1058","","","","","","1.067","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153497","6.837","0.002","10.47","0.005","18.506","0.006","90","","90","","90","","1324.7","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ADDTop","","","- C13 H17 N3 O6 -","- C13 H17 N3 O6 -","- C52 H68 N12 O24 -","4","1","","Xie, Yun; Maxson, Tucker; Tor, Yitzhak","Fluorescent nucleoside analogue displays enhanced emission upon pairing with guanine.","Organic & biomolecular chemistry","2010","8","22","5053","5055","10.1039/c0ob00413h","","","1.54178","CuKα","","0.0409","0.0358","","","0.0882","0.091","","","","","","1.059","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7153498","10.5576","0.0002","14.9916","0.0003","20.3173","0.0003","90","","90","","90","","3215.73","0.1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O3 S2 -","- C17 H14 N2 O3 S2 -","- C136 H112 N16 O24 S16 -","8","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Rodríguez, Valentín","Push-pull 1,3-thiazolium-5-thiolates. Formation via concerted and stepwise pathways, and theoretical evaluation of NLO properties.","Organic & biomolecular chemistry","2010","8","23","5367","5374","10.1039/c0ob00416b","","","0.71073","MoKα","","0.0633","0.0493","","","0.0931","0.101","","","","","","1.074","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153499","11.138","0.0003","13.836","0.0002","11.563","0.0003","90","","118.642","0.0011","90","","1563.87","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O3 S2 -","- C17 H14 N2 O3 S2 -","- C68 H56 N8 O12 S8 -","4","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Rodríguez, Valentín","Push-pull 1,3-thiazolium-5-thiolates. Formation via concerted and stepwise pathways, and theoretical evaluation of NLO properties.","Organic & biomolecular chemistry","2010","8","23","5367","5374","10.1039/c0ob00416b","","","0.71069","MoKα","","0.0484","0.0385","","","0.0907","0.096","","","","","","1.053","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153500","10.9901","0.0007","20.0863","0.0011","14.5576","0.0009","90","","90","","90","","3213.6","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H14 N2 O3 S2 -","- C17 H14 N2 O3 S2 -","- C136 H112 N16 O24 S16 -","8","2","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Rodríguez, Valentín","Push-pull 1,3-thiazolium-5-thiolates. Formation via concerted and stepwise pathways, and theoretical evaluation of NLO properties.","Organic & biomolecular chemistry","2010","8","23","5367","5374","10.1039/c0ob00416b","","","0.71073","MoKα","","0.09","0.0788","","","0.2279","0.2382","","","","","","1.067","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153501","15.2153","0.0002","9.6223","0.0001","22.8853","0.0004","90","","104.102","0.001","90","","3249.58","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 O4 Si2 -","- C31.5 H45.5 O4 Si2 -","- C126 H182 O16 Si8 -","4","1","","Blanc, Romain; Héran, Virginie; Rahmani, Raphaël; Commeiras, Laurent; Parrain, Jean-Luc","Diels-Alder cycloaddition of o-quinonedimethides and alkylidene-5H-furan-2-ones: new and rapid access to lambertellol cores and arthrinone derivatives.","Organic & biomolecular chemistry","2010","8","24","5490","5494","10.1039/c0ob00448k","","x-ray","0.71073","MoKα","","0.1362","0.0867","","","0.2469","0.2951","","","","","","1.114","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153502","10.4066","0.0001","20.7845","0.0002","26.5729","0.0004","90","","90","","90","","5747.61","0.12","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C26 H42 O4 Si2 -","- C26 H42 O4 Si2 -","- C208 H336 O32 Si16 -","8","1","","Blanc, Romain; Héran, Virginie; Rahmani, Raphaël; Commeiras, Laurent; Parrain, Jean-Luc","Diels-Alder cycloaddition of o-quinonedimethides and alkylidene-5H-furan-2-ones: new and rapid access to lambertellol cores and arthrinone derivatives.","Organic & biomolecular chemistry","2010","8","24","5490","5494","10.1039/c0ob00448k","","x-ray","0.71073","MoKα","","0.0964","0.0688","","","0.1816","0.2044","","","","","","1.063","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153503","11.0794","0.0003","5.2878","0.0001","19.8876","0.0006","90","","90","","90","","1165.13","0.05","293","2","293","2","","","","","","","synthesis as described","3","P c a 21","P 2c -2ac","29","","","","- C14 H10 O4 -","- C14 H10 O4 -","- C56 H40 O16 -","4","1","","Blanc, Romain; Héran, Virginie; Rahmani, Raphaël; Commeiras, Laurent; Parrain, Jean-Luc","Diels-Alder cycloaddition of o-quinonedimethides and alkylidene-5H-furan-2-ones: new and rapid access to lambertellol cores and arthrinone derivatives.","Organic & biomolecular chemistry","2010","8","24","5490","5494","10.1039/c0ob00448k","","x-ray","0.71073","MoKα","","0.051","0.0408","","","0.0865","0.0923","","","","","","1.121","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153504","6.2947","0.001","9.882","0.0012","25.1671","0.0019","86.318","0.005","83.519","0.006","81.658","0.007","1537.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H31 N5 S2 -","- C36 H31 N5 S2 -","- C72 H62 N10 S4 -","2","1","","Younes, Ali H.; Zhang, Lu; Clark, Ronald J.; Davidson, Michael W.; Zhu, Lei","Electronic structural dependence of the photophysical properties of fluorescent heteroditopic ligands - implications in designing molecular fluorescent indicators.","Organic & biomolecular chemistry","2010","8","23","5431","5441","10.1039/c0ob00482k","","","0.71073","MoKα","","0.0391","0.0378","","","0.099","0.0996","","","","","","1.209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153505","9.323","0.001","14.554","0.004","27.618","0.003","90","","90","","90","","3747.4","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4- dihydropyridine‒3,5-dicarboxylate","Dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine- -3,5-dicarboxylate","","- C19 H23 N O6 -","- C19 H23 N O6 -","- C152 H184 N8 O48 -","8","1","","Giorgi, Gianluca; Adamo, Mauro F. A.; Ponticelli, Fabio; Ventura, Antonio","Synthesis, structural and conformational properties, and gas phase reactivity of 1,4-dihydropyridine ester and ketone derivatives.","Organic & biomolecular chemistry","2010","8","23","5339","5344","10.1039/c0ob00494d","","","0.71073","MoKα","","0.0651","0.0435","","","0.1004","0.1117","","","","","","1.015","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153506","19.098","0.003","7.516","0.002","17.03","0.002","90","","103.53","0.005","90","","2376.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine‒3,5- diyl)bis(phenyl-methanone","4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine- -3,5-diyl)bis(phenyl-methanone","","- C29 H27 N O4 -","- C29 H27 N O4 -","- C116 H108 N4 O16 -","4","1","","Giorgi, Gianluca; Adamo, Mauro F. A.; Ponticelli, Fabio; Ventura, Antonio","Synthesis, structural and conformational properties, and gas phase reactivity of 1,4-dihydropyridine ester and ketone derivatives.","Organic & biomolecular chemistry","2010","8","23","5339","5344","10.1039/c0ob00494d","","","0.71073","MoKα","","0.107","0.0549","","","0.1058","0.1262","","","","","","1.013","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153507","9.128","0.004","24.191","0.002","16.035","0.006","90","","90.21","0.05","90","","3541","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) 4-(3,4- dimethoxyphenyl)‒2,6-dimethyl-1,4-di-hydropyridine-3,5-dicarboxylate","Bis((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) 4-(3,4-dimethoxyphenyl)- -2,6-dimethyl-1,4-di-hydropyridine-3,5-dicarboxylate","","- C37 H55 N O6 -","- C37 H55 N O6 -","- C148 H220 N4 O24 -","4","2","","Giorgi, Gianluca; Adamo, Mauro F. A.; Ponticelli, Fabio; Ventura, Antonio","Synthesis, structural and conformational properties, and gas phase reactivity of 1,4-dihydropyridine ester and ketone derivatives.","Organic & biomolecular chemistry","2010","8","23","5339","5344","10.1039/c0ob00494d","","","0.71073","MoKα","","0.0698","0.0425","","","0.0903","0.1026","","","","","","1.032","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153508","9.0179","0.001","9.5313","0.0011","15.0553","0.0016","86.959","0.003","78.879","0.002","80.525","0.003","1252.1","0.2","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H33 N O7 Si -","- C24 H33 N O7 Si -","- C48 H66 N2 O14 Si2 -","2","1","","Girard, Emeline; Desvergnes, Valérie; Tarnus, Céline; Landais, Yannick","Desymmetrization of 7-dimethylphenylsilylcycloheptatriene. Towards the synthesis of new aminocycloheptitols.","Organic & biomolecular chemistry","2010","8","24","5628","5634","10.1039/c0ob00521e","","","1.54178","CuKα","","0.0399","0.0396","","","0.1043","0.1045","","","","","","1.093","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153509","18.432","0.002","9.922","0.0013","10.8403","0.0014","90","","95.081","0.004","90","","1974.7","0.4","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O9 -","- C18 H27 N O9 -","- C72 H108 N4 O36 -","4","1","","Girard, Emeline; Desvergnes, Valérie; Tarnus, Céline; Landais, Yannick","Desymmetrization of 7-dimethylphenylsilylcycloheptatriene. Towards the synthesis of new aminocycloheptitols.","Organic & biomolecular chemistry","2010","8","24","5628","5634","10.1039/c0ob00521e","","","1.54178","CuKα","","0.0692","0.0631","","","0.1768","0.1997","","","","","","1.129","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153510","10.5098","0.001","10.1045","0.001","19.7591","0.0019","90","","98.871","0.004","90","","2073.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N O8 -","- C18 H28 N O9 -","- C72 H112 N4 O36 -","4","1","","Girard, Emeline; Desvergnes, Valérie; Tarnus, Céline; Landais, Yannick","Desymmetrization of 7-dimethylphenylsilylcycloheptatriene. Towards the synthesis of new aminocycloheptitols.","Organic & biomolecular chemistry","2010","8","24","5628","5634","10.1039/c0ob00521e","","","1.54178","CuKα","","0.0818","0.1296","","","0.2501","0.1822","","","","","","1.463","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153511","15.652","0.003","10.174","0.002","28.07","0.006","90","","90","","90","","4470","1.6","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H29 N O9 -","- C18 H29 N O9 -","- C144 H232 N8 O72 -","8","1","","Girard, Emeline; Desvergnes, Valérie; Tarnus, Céline; Landais, Yannick","Desymmetrization of 7-dimethylphenylsilylcycloheptatriene. Towards the synthesis of new aminocycloheptitols.","Organic & biomolecular chemistry","2010","8","24","5628","5634","10.1039/c0ob00521e","","","1.54178","CuKα","","0.0667","0.0523","","","0.1226","0.131","","","","","","1.071","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153512","10.1884","0.0012","15.6187","0.0018","16.3086","0.0019","101.378","0.002","93.392","0.002","95.643","0.002","2523.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H82 Cl N3 O2 -","- C54 H82 Cl N3 O2 -","- C108 H164 Cl2 N6 O4 -","2","1","","Curiel, David; Más-Montoya, Miriam; Sánchez, Guzmán; Orenes, Raúl A; Molina, Pedro; Tárraga, Alberto","A new building block for anion supramolecular chemistry. Study of carbazolocarbazole as anion receptor.","Organic & biomolecular chemistry","2010","8","21","4811","4814","10.1039/c0ob00522c","","","0.71073","MoKα","","0.0664","0.0603","","","0.1377","0.1416","","","","","","1.168","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153513","12.0209","0.0008","12.0209","0.0008","25.881","0.003","90","","90","","90","","3739.9","0.6","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C37 H38 N6 O7 -","- C37 H38 N6 O7 -","- C148 H152 N24 O28 -","4","1","","Pérez-Balado, Carlos; de Lera, Angel R.","Concise total synthesis and structural revision of (+)-pestalazine B.","Organic & biomolecular chemistry","2010","8","22","5179","5186","10.1039/c0ob00531b","","","0.71073","MoKα","","0.1265","0.0613","","","0.1525","0.1936","","","","","","1.048","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153514","13.5963","0.0009","7.1431","0.0005","13.1021","0.0009","90","","94.214","0.003","90","","1269.03","0.15","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Br2 F2 N O3 -","- C11 H7 Br2 F2 N O3 -","- C44 H28 Br8 F8 N4 O12 -","4","1","","Hugenberg, Verena; Fröhlich, Roland; Haufe, Günter","Oxidative desulfurization-fluorination of thioethers. Application for the synthesis of fluorinated nitrogen containing building blocks.","Organic & biomolecular chemistry","2010","8","24","5682","5691","10.1039/c0ob00560f","","","1.54178","CuKα","","0.0506","0.0471","","","0.1436","0.1473","","","","","","1.094","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153515","14.9171","0.0002","12.9531","0.0002","19.9159","0.0003","90","","107.734","0.0008","90","","3665.33","0.09","172","","","","","","","","","","Diederich Group","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","2","","Faraoni, Raffaella; Blanzat, Muriel; Kubicek, Stefan; Braun, Christophe; Schweizer, W. Bernd; Gramlich, Volker; Diederich, Fran�ois","New Rebek imide-type receptors for adenine featuring acetylene-linked ?-stacking platformsElectronic supplementary information (ESI) available: synthetic protocols, binding studies and Job plot analysis. See http://www.rsc.org/suppdata/ob/b4/b404311a/.","Organic & Biomolecular Chemistry","2004","2","14","1962","1964","10.1039/b404311a","","","0.71073","MoKα","","0.0671","0.0485","","","0.1391","0.1541","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153516","7.6166","0.0003","16.8616","0.0008","17.8082","0.0007","88.088","0.003","81.177","0.003","77.664","0.002","2207.83","0.16","100","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42.5 H52 Cl1.5 N12 O4 -","- C42.5 H52 Cl1.5 N12 O4 -","- C85 H104 Cl3 N24 O8 -","2","1","","Faraoni, Raffaella; Blanzat, Muriel; Kubicek, Stefan; Braun, Christophe; Schweizer, W. Bernd; Gramlich, Volker; Diederich, Fran�ois","New Rebek imide-type receptors for adenine featuring acetylene-linked ?-stacking platformsElectronic supplementary information (ESI) available: synthetic protocols, binding studies and Job plot analysis. See http://www.rsc.org/suppdata/ob/b4/b404311a/.","Organic & Biomolecular Chemistry","2004","2","14","1962","1964","10.1039/b404311a","","","0.71073","MoKα","","0.1056","0.0843","","","0.2208","0.2353","","","","","","1.622","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153517","5.804","0.001","11.033","0.001","15.991","0.001","90","","90","","90","","1024","0.2","100","","100","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N2 O5 -","- C8 H16 N2 O5 -","- C32 H64 N8 O20 -","4","1","","Davies, Stephen G.; Haggitt, Jane R.; Ichihara, Osamu; Kelly, Richard J.; Leech, Michael A.; Price Mortimer, Anne J.; Roberts, Paul M.; Smith, Andrew D.","Asymmetric total synthesis of sperabillins B and D via lithium amide conjugate addition","Organic & Biomolecular Chemistry","2004","2","18","2630","2649","10.1039/b404962d","","","0.71073","MoKα","","0.041","0.0389","","0.0311","0.0309","0.0309","","","","","","1.1139","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153518","8.2499","0.0009","13.392","0.003","18.48","0.002","90","","90","","90","","2041.7","0.6","298","","","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 I N O4 -","- C19 H26 I N O4 -","- C76 H104 I4 N4 O16 -","4","1","","Davies, Stephen G.; Haggitt, Jane R.; Ichihara, Osamu; Kelly, Richard J.; Leech, Michael A.; Price Mortimer, Anne J.; Roberts, Paul M.; Smith, Andrew D.","Asymmetric total synthesis of sperabillins B and D via lithium amide conjugate addition","Organic & Biomolecular Chemistry","2004","2","18","2630","2649","10.1039/b404962d","","","1.54175","CuKα","","","0.036","","","0.04","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153519","9.0094","0.0005","13.0282","0.0007","15.5661","0.0012","90","","90","","90","","1827.1","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N3 O6 Tc -","- C16 H16 N3 O6 Tc -","- C64 H64 N12 O24 Tc4 -","4","1","","van Staveren, Dave R.; Mundwiler, Stefan; Hoffmanns, Ulrich; Pak, Jae Kyoung; Spingler, Bernhard; Metzler-Nolte, Nils; Alberto, Roger","Conjugation of a novel histidine derivative to biomolecules and labelling with [99mTc(OH2)3(CO)3]+Electronic supplementary information (ESI) available: complete 1H and 13C NMR spectra of 14, 15, 16 and 19. See http://www.rsc.org/suppdata/ob/b4/b405575f/","Organic & Biomolecular Chemistry","2004","2","18","2593","2603","10.1039/b405575f","","","0.71073","MoKα","","0.0501","0.0386","","","0.0874","0.0915","","","","","","0.981","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153520","9.685","0.008","8.592","0.006","23.185","0.013","90","","92.13","0.03","90","","1928","2","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","2","","Kino, Rie; Daikai, Kazuhiro; Kawanami, Toshio; Furuno, Hiroshi; Inanaga, Junji","Remarkable effect of tris(4-fluorophenyl)phosphine oxide on the stabilization of chiral lanthanum complex catalysts. A new and practical protocol for the highly enantioselective epoxidation of conjugated enonesElectronic supplementary information (ESI) available: HPLC analysis of 2, 1H NMR data for 3 and 4, and crystal data for 5. See http://www.rsc.org/suppdata/ob/b4/b405882h/","Organic & Biomolecular Chemistry","2004","2","13","1822","1824","10.1039/b405882h","","","0.71075","MoKα","","0.1613","0.1203","","","0.2872","0.3124","","","","","","1.067","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153521","21.0458","0.0009","5.9725","0.0002","13.3797","0.0007","90","","110.221","0.002","90","","1578.12","0.12","180","2","180","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C56 H84 N4 O16 S4 -","4","1","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.","Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones","Organic & Biomolecular Chemistry","2004","2","20","2932","2934","10.1039/b406804c","","","0.71073","MoKα","","0.0836","0.0571","","","0.1339","0.1506","","","","","","1.123","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153522","19.5297","0.0006","5.7494","0.0002","13.7124","0.0006","90","","105.224","0.002","90","","1485.65","0.1","180","2","180","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.","Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones","Organic & Biomolecular Chemistry","2004","2","20","2932","2934","10.1039/b406804c","","","0.71073","MoKα","","0.0708","0.0475","","","0.1099","0.1201","","","","","","1.021","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153523","12.342","0.017","28.44","0.04","13.777","0.019","90","","107.291","0.018","90","","4617","11","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H19.5 Cl1.5 N3 O6 -","- C19.5 H18.5 Cl1.5 N3 O6 -","- C156 H148 Cl12 N24 O48 -","8","2","","Pearson, Russell J.; Kassianidis, Eleftherios; Slawin, Alexandra M. Z.; Philp, Douglas","Self-replication vs. reactive binary complexes?manipulating recognition-mediated cycloadditions by simple structural modifications","Organic & Biomolecular Chemistry","2004","2","23","3434","3441","10.1039/b406862a","","","0.71073","MoKα","","0.6464","0.162","","","0.2765","0.5156","","","","","","0.818","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153524","31.0859","0.0007","31.0859","0.0007","4.6544","0.0001","90","","90","","120","","3895.12","0.15","150","2","173","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","hexakis(2-pyridylmethyl)cyclotriveratrylene hydrate","","","- C57 H51 N6 O10.5 -","- C57 H48 N6 O10.5 -","- C171 H144 N18 O31.5 -","3","0.166667","","Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J.","Building blocks for cyclotriveratrylene-based coordination networks","Organic & Biomolecular Chemistry","2004","2","20","2958","2964","10.1039/b407165d","","","0.71073","MoKα","","0.0884","0.0831","","","0.2232","0.2296","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153525","12.036","0.002","12.09","0.002","18.469","0.004","104.18","0.03","98.27","0.03","109.89","0.03","2372.9","1.1","150","2","293","2","","","","","","","","4","P -1","-P 1","2","tris(8-quinolinylmethyl)cyclotriguaiacylene) aceonitrile solvate","","","- C58 H51 N5 O6 -","- C58 H51 N5 O6 -","- C116 H102 N10 O12 -","2","1","","Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J.","Building blocks for cyclotriveratrylene-based coordination networks","Organic & Biomolecular Chemistry","2004","2","20","2958","2964","10.1039/b407165d","","","0.71073","MoKα","","0.0799","0.0627","","","0.1623","0.178","","","","","","1.056","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153526","16.912","0.006","21.522","0.008","31.46","0.012","90.638","0.007","102.614","0.007","105.37","0.008","10746","7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H74.5 B3 F12 N2 O8.25 P -","- C45 H74 B3 F12 N2 O8.25 P -","- C360 H592 B24 F96 N16 O66 P8 -","8","4","","Georges, Norma; Loeb, Stephen J.; Tiburcio, Jorge; Wisner, James A.","[2]Rotaxanes containing pyridinium?phosphonium axles and 24-crown-8 ether wheels","Organic & Biomolecular Chemistry","2004","2","19","2751","2756","10.1039/b407653b","","","0.71073","MoKα","","0.2402","0.1061","","","0.2777","0.3365","","","","","","0.975","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153527","22.881","0.003","6.314","0.001","28.86","0.004","90","","109.86","0.01","90","","3921.4","1","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(4-tert-butylphenyl)-5-(4-(2-pyrazylethynyl)phenyl)-1,3,4- oxadiazole","2-(4-tert-butylphenyl)-5-{4-(2-pyrazylethynyl)phenyl}- 1,3,4-oxadiazole","","- C24 H20 N4 O -","- C24 H20 N4 O -","- C192 H160 N32 O8 -","8","2","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.0823","0.0497","","","0.1328","0.1537","","","","","","0.971","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153528","6.1665","0.0005","6.9748","0.0005","22.943","0.003","83.55","0.01","84.09","0.01","83.67","0.01","970.45","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-tert-butylphenyl)-5-{4-(3-thienylethynyl)phenyl}- 1,3,4-oxadiazole","","- C24 H20 N2 O S -","- C24 H20 N2 O S -","- C48 H40 N4 O2 S2 -","2","1","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.041","0.037","","","0.104","0.1081","","","","","","1.02","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153529","6.345","0.002","6.985","0.002","23.672","0.008","94.24","0.01","91.96","0.01","91.93","0.01","1045","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-tert-butylphenyl)-5-{4-(5-ethynyl-2-thienylethynyl)phenyl}- 1,3,4-oxadiazole","","- C26 H20 N2 O S -","- C26 H19.95 N2 O S -","- C52 H39.9 N4 O2 S2 -","2","1","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.0725","0.0451","","","0.1147","0.1366","","","","","","1.072","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153530","6.1798","0.0004","26.851","0.008","13.65","0.001","90","","92.26","0.01","90","","2263.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-tert-butylphenyl)-5-{5-(2-pyrazyl-ethynyl)-2-thienyl}- 1,3,4-oxadiazole, chloroform monosolvate","","- C23 H19 Cl3 N4 O S -","- C23 H19 Cl3 N4 O S -","- C92 H76 Cl12 N16 O4 S4 -","4","1","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.0647","0.035","","","0.0718","0.0809","","","","","","0.93","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153531","8.23","0.01","9.09","0.02","22.57","0.04","90","","90","","90","","1688","5","82","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","","Wang, Libo; Nakamura, Shuichi; Toru, Takeshi","Highly enantioselective reaction of lithiated N-Boc-thiazolidine: a new chiral formyl anion equivalent","Organic & Biomolecular Chemistry","2004","2","15","2168","2169","10.1039/b408509d","","","1.5419","CuKα","","","0.066","","","","0.068","","","","","","4.581","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153532","9.1902","0.0005","14.444","0.0007","15.8727","0.001","90","","94.398","0.002","90","","2100.8","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Cyclohexyl-2-cyclohexylimino-2-phenylacetimidic acid isopropyl ester","","- C23 H34 N2 O -","- C23 H34 N2 O -","- C92 H136 N8 O4 -","4","2","","Whitby, Richard J.; Gustaf Saluste, C.; Furber, Mark","Synthesis of ?-iminoimidates by palladium catalysed double isonitrile insertion","Organic & Biomolecular Chemistry","2004","2","14","1974","1976","10.1039/b408673m","","","0.71073","MoKα","","0.0683","0.0439","","","0.0905","0.0986","","","","","","1.191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153533","11.1668","0.0003","11.7777","0.0003","20.32","0.0006","90","","90","","90","","2672.47","0.13","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N4 O3 -","- C30 H36 N4 O3 -","- C120 H144 N16 O12 -","4","1","","El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes","Organic & Biomolecular Chemistry","2004","2","20","2935","2941","10.1039/b409115a","","","0.71073","MoKα","","0.1061","0.0765","","","0.1793","0.1945","","","","","","1.036","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153534","13.788","0.002","17.251","0.003","9.9242","0.001","90","","107.786","0.009","90","","2247.7","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 N3 O3 -","- C23 H35 N3 O3 -","- C92 H140 N12 O12 -","4","1","","El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes","Organic & Biomolecular Chemistry","2004","2","20","2935","2941","10.1039/b409115a","","","0.71073","MoKα","","0.1753","0.1281","","","0.2857","0.3148","","","","","","1.065","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153535","13.0112","0.0009","17.31","0.003","17.729","0.004","88.46","0.014","81.647","0.01","88.021","0.01","3947.3","1.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C25.17 H40.5 N4.17 O2.33 -","- C25.1667 H40.5 N4.16667 O2.33333 -","- C151 H243 N25 O14 -","6","3","","El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes","Organic & Biomolecular Chemistry","2004","2","20","2935","2941","10.1039/b409115a","","","0.71073","MoKα","","0.1121","0.0904","","","0.2491","0.2694","","","","","","1.112","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153536","7.476","0.0001","14.31","0.0002","26.388","0.0004","90","","90","","90","","2823.03","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 N3 O5 S2 -","- C28 H41 N3 O5 S2 -","- C112 H164 N12 O20 S8 -","4","1","","Scheuermann, J. Erik W.; Sibbons, Kevin F.; Benoit, David M.; Motevalli, Majid; Watkinson, Michael","The synthesis of unsymmetrically N-substituted chiral 1,4,7-triazacyclononanesElectronic supplementary information (ESI) available: Molecular modelling methodology. Figs. S1?S4: Lowest energy conformation calculated for the protonated form of 6b, 6b�HOAc, the protonated form of 6a and 6a�HOAc. Figs. S5 and S6: Charge distribution calculated for the protonated forms of 6a and 6b. See http://www.rsc.org/suppdata/ob/b4/b409259g/","Organic & Biomolecular Chemistry","2004","2","18","2664","2670","10.1039/b409259g","","","0.71073","MoKα","","0.0619","0.0419","","","0.0854","0.0931","","","","","","0.999","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153537","10.752","0.004","11.183","0.005","21.829","0.01","90","","90","","90","","2624.7","1.9","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 N3 O4 S2 -","- C24 H37 N3 O4 S2 -","- C96 H148 N12 O16 S8 -","4","1","","Scheuermann, J. Erik W.; Sibbons, Kevin F.; Benoit, David M.; Motevalli, Majid; Watkinson, Michael","The synthesis of unsymmetrically N-substituted chiral 1,4,7-triazacyclononanesElectronic supplementary information (ESI) available: Molecular modelling methodology. Figs. S1?S4: Lowest energy conformation calculated for the protonated form of 6b, 6b�HOAc, the protonated form of 6a and 6a�HOAc. Figs. S5 and S6: Charge distribution calculated for the protonated forms of 6a and 6b. See http://www.rsc.org/suppdata/ob/b4/b409259g/","Organic & Biomolecular Chemistry","2004","2","18","2664","2670","10.1039/b409259g","","","0.71069","MoKα","","0.0887","0.0448","","","0.1024","0.1162","","","","","","1.055","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153538","14.1926","0.0007","14.1055","0.0009","18.319","0.0011","90","","90","","90","","3667.3","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","7-NEt2,4'-OH","","- C19 H20 B F4 N O2 -","- C19 H20 B F4 N O2 -","- C152 H160 B8 F32 N8 O16 -","8","1","","Moncada, Margarida C.; Fern�ndez, Dami�n; Lima, Jo�o C.; Parola, A. Jorge; Lodeiro, Carlos; Folgosa, Filipe; Melo, M. Jo�o; Pina, Fernando","Multistate properties of 7-(N,N-diethylamino)-4?-hydroxyflavylium. An example of an unidirectional reaction cycle driven by pH","Organic & Biomolecular Chemistry","2004","2","19","2802","2808","10.1039/b409260k","","","1.5418","CuKα","","0.0886","0.0607","","","0.1549","0.1975","","","","","","0.998","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153539","10.259","0.001","16.12","0.002","8.654","0.002","104.45","0.01","105.78","0.01","96.235","0.008","1309.5","0.4","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 N O4 -","- C31 H31 N O4 -","- C62 H62 N2 O8 -","2","1","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka","Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors","Organic & Biomolecular Chemistry","2004","2","23","3427","3431","10.1039/b411286e","","","1.5418","CuKα","","","0.0587","","","","0.1827","","","","","","1.358","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153540","7.309","0.001","15.546","0.001","13.8909","0.0009","90","","104.34","0.008","90","","1529.2","0.3","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka","Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors","Organic & Biomolecular Chemistry","2004","2","23","3427","3431","10.1039/b411286e","","","1.5418","CuKα","","","0.0659","","","","0.213","","","","","","1.721","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153541","10.818","0.011","11.701","0.013","12.827","0.013","105.1","0.1","101.25","0.1","115.44","0.1","1325","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H70 F12 N8 O12 P2 -","- C44 H70 F12 N8 O12 P2 -","- C44 H70 F12 N8 O12 P2 -","1","0.5","","Cruz, Carla; Delgado, Rita; Drew, Michael G. B.; F�lix, V�tor","Supramolecular aggregates between carboxylate anions and an octaaza macrocyclic receptor","Organic & Biomolecular Chemistry","2004","2","20","2911","2918","10.1039/b412059k","","","0.71073","MoKα","","0.1278","0.1101","","","0.2736","0.2874","","","","","","1.055","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153542","8.04","0.01","28.57","0.029","13.42","0.015","90","","93.41","0.1","90","","3077","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H78 F12 N8 O12 P2 -","- C56 H78 F12 N8 O12 P2 -","- C112 H156 F24 N16 O24 P4 -","2","0.5","","Cruz, Carla; Delgado, Rita; Drew, Michael G. B.; F�lix, V�tor","Supramolecular aggregates between carboxylate anions and an octaaza macrocyclic receptor","Organic & Biomolecular Chemistry","2004","2","20","2911","2918","10.1039/b412059k","","","0.71073","MoKα","","0.1522","0.0956","","","0.1806","0.2043","","","","","","1.077","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153543","10.785","0.002","14.2","0.003","17.438","0.004","94.857","0.004","102.039","0.005","90.567","0.004","2601.4","0.9","203.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C68 H62 N4 -","- C68 H62 N4 -","- C136 H124 N8 -","2","1","","Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru","Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations","Organic & Biomolecular Chemistry","2004","2","23","3442","3447","10.1039/b412688b","","","0.7107","MoKa","","","0.07","","","","0.199","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153544","30.864","0.008","11.647","0.002","18.709","0.005","90","","117.893","0.005","90","","5944","2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H60 N4 O2 Zn -","- C76 H52 N4 Zn -","- C304 H208 N16 Zn4 -","4","0.5","","Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru","Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations","Organic & Biomolecular Chemistry","2004","2","23","3442","3447","10.1039/b412688b","","","0.7107","MoKa","","0.1429","0.1022","","","0.295","0.3209","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153545","12.6459","0.0005","15.6657","0.0008","16.2904","0.001","92.816","0.009","111.014","0.01","109.678","0.008","2783.2","0.4","203.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H42 Cl3 N5 Zn -","- C74 H42 Cl3 N5 Zn -","- C148 H84 Cl6 N10 Zn2 -","2","1","","Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru","Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations","Organic & Biomolecular Chemistry","2004","2","23","3442","3447","10.1039/b412688b","","","0.7107","MoKa","","","0.059","","","","0.18","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153546","7.7959","0.0009","20.639","0.003","11.0953","0.0014","90","","90","","90","","1785.2","0.4","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Pathak, Rakhi; Vandayar, Kantharuby; van Otterlo, Willem A. L.; Michael, Joseph P.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of angularly fused polyaromatic compounds by using a light-assisted, base-mediated cyclization reaction","Organic & Biomolecular Chemistry","2004","2","23","3504","3509","10.1039/b412932f","","","0.71073","MoKα","","0.0756","0.0464","","","0.1268","0.1415","","","","","","1.031","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153547","12.3395","0.0005","16.6385","0.0009","16.9325","0.0007","102.905","0.003","101.82","0.002","111.464","0.002","2992.1","0.3","146","2","146","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","4","","Yeom, Hyun-Suk; Lee, Youngun; Lee, Ji-Eun; Shin, Seunghoon","Geometry-dependent divergence in the gold-catalyzed redox cascade cyclization of o-alkynylaryl ketoximes and nitrones leading to isoindoles","Organic & Biomolecular Chemistry","2009","7","22","4744","4752","10.1039/b910757f","","","0.71073","MoKα","","0.1192","0.0715","","","0.1878","0.2197","","","","","","1.068","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153548","5.5694","0.0015","10.414","0.003","30.935","0.008","90","","90","","90","","1794.2","0.8","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 N O4 -","- C18 H31 N O4 -","- C72 H124 N4 O16 -","4","1","","Lin, Geng-Jie; Huang, Pei-Qiang","A concise and fully selective synthesis of the ant venom alkaloid (3S,5R,8S,9S)-3-butyl-5-propyl-8-hydroxyindolizidine","Organic & Biomolecular Chemistry","2009","7","21","4491","4495","10.1039/b912190k","","","0.71073","MoKα","","0.0884","0.0569","","","0.1508","0.166","","","","","","1.024","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153549","6.367","0.002","8.922","0.003","12.227","0.004","69.01","0.005","80.262","0.005","75.241","0.005","624.7","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 F2 O2 -","- C14 H16 F2 O2 -","- C28 H32 F4 O4 -","2","1","","Anderl, Timo; Audouard, Christophe; Miah, Afjal; Percy, Jonathan M.; Rinaudo, Giuseppe; Singh, Kuldip","Syntheses of difluorinated carbasugar phosphates from trifluoroethanol","Organic & Biomolecular Chemistry","2009","7","24","5200","5206","10.1039/b914068a","","","0.71073","MoKα","","0.046","0.0344","","","0.0743","0.0783","","","","","","1.019","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153550","13.5039","0.0004","12.3329","0.0003","10.3136","0.0003","90","","95.707","0.001","90","","1709.14","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 S2 -","- C18 H19 N O2 S2 -","- C72 H76 N4 O8 S8 -","4","1","","Prasad, D. J. C.; Sekar, Govindasamy","An efficient copper-catalyzed synthesis of hexahydro-1H- phenothiazines","Organic & Biomolecular Chemistry","2009","7","24","5091","5097","10.1039/b916664e","","","0.71073","MoKα","","0.0629","0.0399","","","0.1224","0.1485","","","","","","0.97","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153551","14.6365","0.0004","12.8539","0.0003","9.8406","0.0003","90","","97.759","0.001","90","","1834.42","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 S2 -","- C19 H21 N O2 S2 -","- C76 H84 N4 O8 S8 -","4","1","","Prasad, D. J. C.; Sekar, Govindasamy","An efficient copper-catalyzed synthesis of hexahydro-1H- phenothiazines","Organic & Biomolecular Chemistry","2009","7","24","5091","5097","10.1039/b916664e","","","0.71073","MoKα","","0.0641","0.0415","","","0.1244","0.1456","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153552","7.629","0.0015","11.646","0.002","11.722","0.002","115.05","0.03","92.13","0.03","92.44","0.03","940.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N O2 S2 -","- C20 H23 N O2 S2 -","- C40 H46 N2 O4 S4 -","2","1","","Prasad, D. J. C.; Sekar, Govindasamy","An efficient copper-catalyzed synthesis of hexahydro-1H- phenothiazines","Organic & Biomolecular Chemistry","2009","7","24","5091","5097","10.1039/b916664e","","","0.71073","MoKα","","0.0962","0.0542","","","0.1495","0.175","","","","","","1.019","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153553","8.2666","0.0003","13.1054","0.0004","18.5231","0.0007","90","","95.842","0.002","90","","1996.32","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O2 S2 -","- C21 H25 N O2 S2 -","- C84 H100 N4 O8 S8 -","4","1","","Prasad, D. J. C.; Sekar, Govindasamy","An efficient copper-catalyzed synthesis of hexahydro-1H- phenothiazines","Organic & Biomolecular Chemistry","2009","7","24","5091","5097","10.1039/b916664e","","","0.71073","MoKα","","0.1179","0.0502","","","0.1168","0.1397","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153554","7.607","0.0015","16.348","0.003","9.994","0.002","90","","110.8","0.03","90","","1161.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Guo, Jiajia; Sun, Xiaoyang; Yu, Shouyun","Diastereoselective synthesis of epoxide-fused benzoquinolizidine derivatives using intramolecular domino aza-Michael addition/Darzens reaction.","Organic & biomolecular chemistry","2014","12","2","265","268","10.1039/c3ob42068j","","","0.71073","MoKα","","0.1212","0.0664","","","0.1603","0.1895","","","","","","1","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153555","9.846","0.0005","26.3882","0.0014","7.7624","0.0004","90","","105.68","0.001","90","","1941.76","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 -","- C26 H19 N3 -","- C104 H76 N12 -","4","1","","Zhou, Wang; Yang, Youqing; Wang, Zhiwei; Deng, Guo-Jun","Rhodium-catalyzed intermolecular hydroarylation of internal alkynes with N-1-phenylbenzotriazoles.","Organic & biomolecular chemistry","2014","12","2","251","254","10.1039/c3ob42007h","","","0.71073","MoKα","","0.0396","0.0379","","","0.1069","0.108","","","","","","1.028","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153556","14.5336","0.0005","6.3146","0.0002","15.7054","0.0006","90","","108.49","0.002","90","","1366.94","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3736-D4","","","- C17 H11 Br N2 O -","- C17 H11 Br N2 O -","- C68 H44 Br4 N8 O4 -","4","1","","Zhang, Xiaofei; He, Qian; Xiang, Haoyue; Song, Shanshan; Miao, Zehong; Yang, Chunhao","Rapid access to α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile and the anti-proliferative activities of the products.","Organic & biomolecular chemistry","2014","12","2","355","361","10.1039/c3ob41921e","","","0.71073","MoKα","","0.0546","0.0328","","","0.0729","0.0809","","","","","","1.021","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153557","4.8242","0.0017","12.372","0.004","12.693","0.005","104.81","0.02","95.57","0.02","90.93","0.02","728.3","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C38 H32 N4 -","2","1","","Zhang, Xiaofei; He, Qian; Xiang, Haoyue; Song, Shanshan; Miao, Zehong; Yang, Chunhao","Rapid access to α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile and the anti-proliferative activities of the products.","Organic & biomolecular chemistry","2014","12","2","355","361","10.1039/c3ob41921e","","","0.71073","MoKα","","0.0681","0.0449","","","0.1149","0.1271","","","","","","1.186","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153558","25.6423","0.0013","6.0433","0.0003","16.8338","0.0009","90","","108.536","0.002","90","","2473.3","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 O3.5 -","- C12 H21 O3.5 -","- C96 H168 O28 -","8","1","","Duplan, Vincent; Serba, Christelle; Garcia, Jose; Valot, Gaëlle; Barluenga, Sofia; Hoerlé, Mélanie; Cuendet, Muriel; Winssinger, Nicolas","Synthesis of sesquiterpene-inspired derivatives designed for covalent binding and their inhibition of the NF-κB pathway.","Organic & biomolecular chemistry","2014","12","2","370","375","10.1039/c3ob42049c","","","0.71073","MoKα","","0.0565","0.0386","","","0.0952","0.1034","","","","","","1.011","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7153559","10.3743","0.0016","12.098","0.002","11.1576","0.0018","90","","105.03","0.017","90","","1352.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H33 N4 O2 -","- C30 H33 N4 O2 -","- C60 H66 N8 O4 -","2","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies.","Organic & biomolecular chemistry","2014","12","2","278","285","10.1039/c3ob41966e","","","0.71073","MoKα","","0.0885","0.048","","","0.0954","0.105","","","","","","0.894","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153560","8.37","0.02","10.24","0.03","10.52","0.03","95.85","0.05","110.15","0.04","112.75","0.04","751","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies.","Organic & biomolecular chemistry","2014","12","2","278","285","10.1039/c3ob41966e","","","0.71073","MoKα","","0.2386","0.1007","","","0.2831","0.3458","","","","","","1.271","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153561","8.4855","0.0012","10.2487","0.0012","11.0122","0.0013","87.534","0.01","76.273","0.011","85.501","0.011","927.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O2 -","- C20 H23 N3 O2 -","- C40 H46 N6 O4 -","2","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies.","Organic & biomolecular chemistry","2014","12","2","278","285","10.1039/c3ob41966e","","","0.71073","MoKα","","0.3197","0.0899","","","0.1314","0.2119","","","","","","0.941","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153562","24.9384","0.0019","12.5149","0.0009","26.26","0.002","90","","111.146","0.002","90","","7643.9","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C153 H154 Cl14 Ir4 N8 O12 -","- C153 H154 Cl14 Ir4 N8 O12 -","- C306 H308 Cl28 Ir8 N16 O24 -","2","0.5","","Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.","Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.","Organic & biomolecular chemistry","2014","12","2","286","297","10.1039/c3ob41354c","","","0.71073","MoKα","","0.118","0.0739","","","0.189","0.2092","","","","","","1.002","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153563","32.2169","0.001","32.2169","0.001","20.2356","0.0013","90","","90","","120","","18189.2","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C37 H36 Cl N2 O3 Rh -","- C37 H36 Cl N2 O3 Rh -","- C666 H648 Cl18 N36 O54 Rh18 -","18","1","","Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.","Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.","Organic & biomolecular chemistry","2014","12","2","286","297","10.1039/c3ob41354c","","","0.71073","MoKα","","0.1191","0.0472","","","0.0838","0.0877","","","","","","0.994","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153564","19.8758","0.0013","12.678","0.0009","23.5977","0.0016","90","","94.222","0.001","90","","5930.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 Cl4 Ir2 N3 O2 -","- C52 H53 Cl4 Ir2 N3 O2 -","- C208 H212 Cl16 Ir8 N12 O8 -","4","1","","Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.","Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.","Organic & biomolecular chemistry","2014","12","2","286","297","10.1039/c3ob41354c","","","0.71073","MoKα","","0.0789","0.0487","","","0.1308","0.1426","","","","","","0.999","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153565","23.252","0.003","8.8725","0.001","16.3422","0.0018","90","","90","","90","","3371.5","0.7","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H37 Cl3 N2 S -","- C37 H37 Cl3 N2 S -","- C148 H148 Cl12 N8 S4 -","4","1","","Lash, Timothy D.; El-Beck, Jessica A; Ferrence, Gregory M.","Synthesis, structural characterization and reactivity of heteroazuliporphyrins.","Organic & biomolecular chemistry","2014","12","2","316","329","10.1039/c3ob41992d","","x-ray","0.71073","MoKα","","0.0861","0.0537","","","","0.1317","","","","","","1.017","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153566","8.1545","0.0007","26.714","0.002","15.641","0.0014","90","","104.854","0.001","90","","3293.4","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Cl3 N2 Se -","- C37 H37 Cl3 N2 Se -","- C148 H148 Cl12 N8 Se4 -","4","1","","Lash, Timothy D.; El-Beck, Jessica A; Ferrence, Gregory M.","Synthesis, structural characterization and reactivity of heteroazuliporphyrins.","Organic & biomolecular chemistry","2014","12","2","316","329","10.1039/c3ob41992d","","x-ray","0.71073","MoKα","","0.0639","0.0438","","","","0.1089","","","","","","1.019","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7153567","12.8346","0.0013","7.4175","0.0009","17.3968","0.0016","90","","90","","90","","1656.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Br N2 O2 -","- C7 H5 Br N2 O2 -","- C56 H40 Br8 N16 O16 -","8","1","","Lone, Ali Mohd; Bhat, Bilal Ahmad","Metal free stereoselective synthesis of functionalized enamides.","Organic & biomolecular chemistry","2014","12","2","242","246","10.1039/c3ob41847b","","","0.71073","MoKα","","0.0754","0.0437","","","0.0936","0.1071","","","","","","1.051","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153568","12.2611","0.0011","18.2064","0.0013","17.7004","0.0019","90","","100.734","0.004","90","","3882.1","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Cl2 N10 O13 -","- C36 H38 Cl2 N10 O13 -","- C144 H152 Cl8 N40 O52 -","4","0.5","","Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor","Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II).","Organic & biomolecular chemistry","2014","12","4","589","599","10.1039/c3ob42047g","","x-ray","0.71073","MoKα","","0.0725","0.0444","","","0.1005","0.1131","","","","","","1.017","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153569","10.6377","0.0004","12.7007","0.0005","15.6556","0.0007","96.879","0.002","90.055","0.002","106.439","0.002","2012.75","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N12 O9 -","- C38 H48 N12 O9 -","- C76 H96 N24 O18 -","2","1","","Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor","Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II).","Organic & biomolecular chemistry","2014","12","4","589","599","10.1039/c3ob42047g","","x-ray","0.71073","MoKα","","0.0854","0.0642","","","0.1894","0.2073","","","","","","1.04","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153570","11.5804","0.0007","14.7466","0.0009","29.1684","0.0019","90","","90.758","0.002","90","","4980.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 Cl6 N12 -","- C44 H66 Cl6 N12 -","- C176 H264 Cl24 N48 -","4","1","","Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor","Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II).","Organic & biomolecular chemistry","2014","12","4","589","599","10.1039/c3ob42047g","","x-ray","0.71073","MoKα","","0.0946","0.0579","","","0.167","0.2046","","","","","","1.054","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153571","9.2088","0.0003","11.1545","0.0003","13.3119","0.0005","90","","106.479","0.003","90","","1311.23","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H26 Br N O5 -","- C29 H26 Br N O5 -","- C58 H52 Br2 N2 O10 -","2","1","","Ramachary, Dhevalapally B.; Prasad, M. Shiva; Laxmi, S. Vijaya; Madhavachary, R.","Asymmetric synthesis of drug-like spiro[chroman-3,3'-indolin]-2'-ones through aminal-catalysis.","Organic & biomolecular chemistry","2014","12","4","574","580","10.1039/c3ob42100g","","","1.54184","CuKα","","0.0444","0.0404","","","0.1073","0.1134","","","","","","0.819","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153572","37.981","0.008","3.8785","0.0008","11.276","0.002","90","","97.157","0.003","90","","1648.1","0.6","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 F2 O -","- C10 H8 F2 O -","- C80 H64 F16 O8 -","8","1","","Zhang, He; Lin, Jin-Hong; Xiao, Ji-Chang; Gu, Yu-Cheng","Rh-catalyzed allylic C-F bond activation: the stereoselective synthesis of trisubstituted monofluoroalkenes and a mechanism study.","Organic & biomolecular chemistry","2014","12","4","581","588","10.1039/c3ob42038h","","","0.71073","MoKα","","0.0601","0.0442","","","0.135","0.1708","","","","","","1.058","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153573","9.6284","0.0004","11.7266","0.0006","19.1651","0.0009","75.073","0.005","77.631","0.004","87.141","0.004","2042.31","0.17","293.83","0.1","293.83","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 I N O -","- C26 H18 I N O -","- C104 H72 I4 N4 O4 -","4","2","","Wang, Li-Jing; Zhu, Hai-Tao; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Electrophilic ipso-iodocyclization of N-benzyl-N-(1-naphthyl)propiolamides: synthesis of complex polycyclic lactams.","Organic & biomolecular chemistry","2014","12","4","643","650","10.1039/c3ob42020e","","","0.7107","MoKα","","0.0559","0.0393","","","0.0713","0.081","","","","","","1.035","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153574","10.5172","0.0008","17.5717","0.0006","20.0963","0.0011","90","","90","","90","","3713.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 I N O -","- C22 H16 I N O -","- C176 H128 I8 N8 O8 -","8","1","","Wang, Li-Jing; Zhu, Hai-Tao; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Electrophilic ipso-iodocyclization of N-benzyl-N-(1-naphthyl)propiolamides: synthesis of complex polycyclic lactams.","Organic & biomolecular chemistry","2014","12","4","643","650","10.1039/c3ob42020e","","","0.7107","MoKα","","0.1465","0.0741","","","0.1273","0.1546","","","","","","1.106","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153575","9.569","0.0002","8.0724","0.0002","17.2904","0.0003","90","","96.872","0.002","90","","1326","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 O8 -","- C28 H38 O8 -","- C56 H76 O16 -","2","0.5","","Buccini, Marco; Punch, Kathryn A.; Kaskow, Belinda; Flematti, Gavin R.; Skelton, Brian W.; Abraham, Lawrence J.; Piggott, Matthew J.","Ethynylbenzenoid metabolites of Antrodia camphorata: synthesis and inhibition of TNF expression.","Organic & biomolecular chemistry","2014","12","7","1100","1113","10.1039/c3ob42333f","","","0.71073","MoKα","","0.0854","0.051","","","0.1371","0.1514","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153576","7.3517","0.0019","18.103","0.005","10.012","0.003","90","","96.47","0.02","90","","1324","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H32 O9 -","- C29 H32 O9 -","- C58 H64 O18 -","2","1","","Buccini, Marco; Punch, Kathryn A.; Kaskow, Belinda; Flematti, Gavin R.; Skelton, Brian W.; Abraham, Lawrence J.; Piggott, Matthew J.","Ethynylbenzenoid metabolites of Antrodia camphorata: synthesis and inhibition of TNF expression.","Organic & biomolecular chemistry","2014","12","7","1100","1113","10.1039/c3ob42333f","","","0.71073","MoKα","","0.1602","0.1458","","","0.3562","0.3683","","","","","","1.412","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153577","8.987","0.002","13.788","0.003","15.365","0.004","90","","103.787","0.005","90","","1849.1","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N4 O4 S2 -","- C20 H12 N4 O4 S2 -","- C80 H48 N16 O16 S8 -","4","1","","Pal, Suman; Hatai, Joydev; Samanta, Mousumi; Shaurya, Alok; Bandyopadhyay, Subhajit","A highly selective chemodosimeter for fast detection and intracellular imaging of Hg(2+) ions based on a dithiocarbamate-isothiocyanate conversion in aqueous ethanol.","Organic & biomolecular chemistry","2014","12","7","1072","1078","10.1039/c3ob42108b","","","0.71073","MoKα","","0.0654","0.0439","","","0.0989","0.1096","","","","","","1.035","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153578","8.9744","0.0011","18.096","0.002","24.959","0.003","97.516","0.003","99.857","0.003","93.864","0.002","3942.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 N4 O5 -","- C46 H46 N4 O5 -","- C184 H184 N16 O20 -","4","2","","Mei, Liang-Yong; Tang, Xiang-Ying; Shi, Min","Rhodium-catalyzed three-component reaction of 3-diazooxindoles with indoles and isatin-derived ketimines: a facile and versatile approach to functionalized 3,3',3''-trisindoles.","Organic & biomolecular chemistry","2014","12","7","1149","1156","10.1039/c3ob42283f","","","0.71073","MoKα","","0.1131","0.067","","","0.1805","0.212","","","","","","1.02","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153579","10.4678","0.001","11.7231","0.0011","11.8283","0.0012","69.655","0.002","86.031","0.002","80.188","0.002","1341","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 F6 N2 -","- C32 H24 F6 N2 -","- C64 H48 F12 N4 -","2","1","","Zhang, Lisi; Li, Yajun; Zhang, Li; Wu, Yongming","Vicinal bis(trifluoroacetimidoyl chloride)s: novel building blocks for the synthesis of benzo-fused eight-membered rings via [2 + 2 + 2] cycloadditions.","Organic & biomolecular chemistry","2014","12","7","1040","1043","10.1039/c3ob42224k","","","0.71073","MoKα","","0.0588","0.0491","","","0.1349","0.1455","","","","","","1.047","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153580","9.567","0.0009","15.054","0.0015","9.7671","0.0013","90","","119.292","0.002","90","","1226.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H31 Cl2 Mn N5 O -","- C24 H31 Cl2 Mn N5 O -","- C48 H62 Cl4 Mn2 N10 O2 -","2","1","","Ilyashenko, Gennadiy; De Faveri, Giorgio; Follier, Thomas; Al-Safadi, Rawan; Motevalli, Majid; Watkinson, Michael","Catalytic and mechanistic studies into the epoxidation of styrenes using manganese complexes of structurally similar polyamine ligands.","Organic & biomolecular chemistry","2014","12","7","1124","1134","10.1039/c3ob42274g","","","0.71073","MoKα","","0.0392","0.0309","","","0.0524","0.0545","","","","","","0.991","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7153581","9.293","0.003","9.873","0.003","10.265","0.003","90","","98.175","0.016","90","","932.2","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O5 -","- C18 H17 F3 N2 O5 -","- C36 H34 F6 N4 O10 -","2","1","","Liu, Feng-Lei; Chen, Jia-Rong; Feng, Bin; Hu, Xiao-Qiang; Ye, Li-Hua; Lu, Liang-Qiu; Xiao, Wen-Jing","Enantioselective organocatalytic oxa-Michael addition of oximes to β-CF3-β-disubstituted nitroalkenes: efficient synthesis of β-amino-α-trifluoromethyl alcohols.","Organic & biomolecular chemistry","2014","12","7","1057","1060","10.1039/c3ob42329h","","","1.54178","CuKα","","0.2612","0.2246","","","0.5764","0.621","","","","","","2.269","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153582","9.286","0.002","11.358","0.003","11.827","0.003","90","","98.495","0.004","90","","1233.7","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Acetyl-1-aza-7-phenylbicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0637","0.0552","","","0.1225","0.1272","","","","","","1.145","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153583","9.1844","0.001","9.6681","0.0011","10.4799","0.0012","81.098","0.002","65.775","0.002","79.753","0.002","831.62","0.16","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","8-Acetyl-1-aza-9-(3-oxobutyl)-7-phenylbicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C40 H38 N2 O4 -","2","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0932","0.0887","","","0.186","0.1889","","","","","","1.264","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153584","10.5099","0.0015","17.731","0.003","9.3383","0.0013","90","","115.207","0.002","90","","1574.5","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aza-14-oxo-12-phenyltetracyclo[11.4.0.02,11.05,10]heptadeca-1(13),3,5(10),6,8,11-hexaene","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0705","0.0434","","","0.1014","0.1143","","","","","","1.01","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153585","14.886","0.004","8.048","0.002","17.59","0.004","90","","90","","90","","2107.3","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Acetyl-1-aza-2-Methoxy-7-methylbicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0792","0.0635","","","0.1385","0.1466","","","","","","1.17","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153586","4.9759","0.0015","13.292","0.004","10.625","0.003","90","","90.818","0.005","90","","702.7","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","8-Acetyl-1-aza-2-Methoxy-7-methyl-9-(3-oxobutyl)bicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0552","0.0462","","","0.1194","0.1238","","","","","","1.09","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153587","8.901","0.002","12.206","0.003","22.343","0.006","90","","90","","90","","2427.5","1","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N2 O6 P -","- C25 H25 N2 O6 P -","- C100 H100 N8 O24 P4 -","4","1","","George, Jimil; Sridhar, B.; Reddy, B. V. Subba","First example of quinine-squaramide catalyzed enantioselective addition of diphenyl phosphite to ketimines derived from isatins.","Organic & biomolecular chemistry","2014","12","10","1595","1602","10.1039/c3ob42026d","","","0.71073","MoKα","","0.0755","0.0685","","","0.1684","0.1747","","","","","","1.048","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153588","7.3288","0.0007","19.338","0.002","10.3913","0.0011","90","","103.117","0.001","90","","1434.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1i","","","- C15 H11 B F2 O4 -","- C15 H11 B F2 O4 -","- C60 H44 B4 F8 O16 -","4","1","","Bai, Guifeng; Yu, Changjiang; Cheng, Chi; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Syntheses and photophysical properties of BF2 complexes of curcumin analogues.","Organic & biomolecular chemistry","2014","12","10","1618","1626","10.1039/c3ob42201a","","","0.71073","MoKα","","0.0784","0.0547","","","0.1545","0.1722","","","","","","1.06","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153589","16.957","0.002","11.8082","0.0016","9.9913","0.0014","90","","95.18","0.002","90","","1992.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1j","","","- C23 H19 B F2 O2 -","- C23 H19 B F2 O2 -","- C92 H76 B4 F8 O8 -","4","0.5","","Bai, Guifeng; Yu, Changjiang; Cheng, Chi; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Syntheses and photophysical properties of BF2 complexes of curcumin analogues.","Organic & biomolecular chemistry","2014","12","10","1618","1626","10.1039/c3ob42201a","","","0.71073","MoKα","","0.1147","0.0577","","","0.1736","0.2196","","","","","","1.039","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153590","8.999","0.001","8.057","0.001","14.015","0.004","90","","105.34","0.04","90","","980","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-5-{(S)-[(S)-2,2-Diethyl-1,3-dioxolan-4-yl][(2-meth oxyphenyl)amino]methyl}pyrrolidin-2-one","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C38 H56 N4 O8 -","2","1","","Sartori, Andrea; Dell'amico, Luca; Battistini, Lucia; Curti, Claudio; Rivara, Silvia; Pala, Daniele; Kerry, Philip S.; Pelosi, Giorgio; Casiraghi, Giovanni; Rassu, Gloria; Zanardi, Franca","Synthesis, structure and inhibitory activity of a stereoisomer of oseltamivir carboxylate.","Organic & biomolecular chemistry","2014","12","10","1561","1569","10.1039/c3ob42069h","","","0.71073","MoKα","","0.0665","0.063","","","0.1802","0.1875","","","","","","1.076","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153591","9.3972","0.0002","16.1308","0.0003","19.6022","0.0003","90","","90","","90","","2971.39","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","2","","Nandakumar, Avanashiappan; Kiruthika, Selvarangam E.; Naveen, Kanagaraj; Perumal, Paramasivan Thirumalai","Pd(0)-catalyzed regio- and stereoselective cyclization of alkynes: selective synthesis of (E)-4-(isobenzofuran-1(3H)-ylidene)-1,2,3,4-tetrahydroisoquinolines and aze/oxepinoindoles.","Organic & biomolecular chemistry","2014","12","6","876","880","10.1039/c3ob42314j","","","0.71073","MoKα","","0.0379","0.033","","","0.0813","0.0857","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153592","34.635","0.002","8.5799","0.0004","27.476","0.001","90","","92.652","0.004","90","","8156.2","0.7","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C78 H80 Cl4 F12 N4 O4 S4 Zn -","- C78 H80 Cl4 F12 N4 O4 S4 Zn -","- C312 H320 Cl16 F48 N16 O16 S16 Zn4 -","4","0.5","","Ordronneau, Lucie; Boixel, Julien; Aubert, Vincent; Vidal, Matias S.; Moya, Sergio; Aguirre, Pedro; Toupet, Loic; Williams, J. A. Gareth; Le Bozec, Hubert; Guerchais, Véronique","New fluorescent bis-dithienylethene (DTE)-based bipyridines as reverse interrupters: single vs. double photochromism.","Organic & biomolecular chemistry","2014","12","6","979","992","10.1039/c3ob42119h","","","0.71073","MoKα","","0.2208","0.0682","","","0.1741","0.2398","","","","","","0.669","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153593","10.8607","0.0014","11.4179","0.0014","15.2714","0.0019","83.181","0.003","80.292","0.003","61.859","0.002","1644.3","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","2","","Poudel, Tej Narayan; Lee, Yong Rok","An advanced and novel one-pot synthetic method for diverse benzo[c]chromen-6-ones by transition-metal free mild base-promoted domino reactions of substituted 2-hydroxychalcones with β-ketoesters and its application to polysubstituted terphenyls.","Organic & biomolecular chemistry","2014","12","6","919","930","10.1039/c3ob41800f","","","0.71073","MoKα","","0.1161","0.0642","","","0.1559","0.2354","","","","","","1.03","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153594","59.25","0.011","5.953","0.002","22.55","0.004","90","","90.93","0.01","90","","7953","3","198","2","198","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N -","- C17 H17 N -","- C408 H408 N24 -","24","3","","Thomas, Claudia; Kataeva, Olga; Schmidt, Arndt W.; Knölker, Hans-Joachim","Regioselective prenylation of bromocarbazoles by palladium(0)-catalysed cross coupling - synthesis of O-methylsiamenol, O-methylmicromeline and carquinostatin A.","Organic & biomolecular chemistry","2014","12","6","872","875","10.1039/c3ob42297f","","","0.71073","MoKα","","0.2163","0.0884","","","0.2424","0.29","","","","","","0.918","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7153595","9.5236","0.0002","14.224","0.0003","16.822","0.0004","109.168","0.002","92.395","0.002","100.881","0.002","2100.47","0.09","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H56.5 N7 O9 S -","- C36 H56.5 N7 O9 S -","- C72 H113 N14 O18 S2 -","2","2","","De Poli, Matteo; Clayden, Jonathan","Thionoglycine as a multifunctional spectroscopic reporter of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2014","12","5","836","843","10.1039/c3ob42167h","","","1.54178","CuKα","","0.0656","0.0475","","","0.1075","0.1164","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153596","9.5005","0.0002","14.2234","0.0003","15.3975","0.0003","89.612","0.002","84.675","0.001","78.797","0.002","2032.06","0.07","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H53 N7 O9 S -","- C34 H53 N7 O9 S -","- C68 H106 N14 O18 S2 -","2","2","","De Poli, Matteo; Clayden, Jonathan","Thionoglycine as a multifunctional spectroscopic reporter of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2014","12","5","836","843","10.1039/c3ob42167h","","","1.54178","CuKα","","0.0568","0.046","","","0.1234","0.1443","","","","","","1.049","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153597","10.233","0.004","10.817","0.004","10.864","0.004","62.661","0.004","78.149","0.004","89.945","0.004","1039.4","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 N2 O -","- C29 H20 N2 O -","- C58 H40 N4 O2 -","2","1","","Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.","Organic & biomolecular chemistry","2014","12","5","758","764","10.1039/c3ob41955j","","","0.71073","MoKα","","0.0583","0.0451","","","0.12","0.1326","","","","","","1.005","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153598","13.242","0.003","13.337","0.003","16.05","0.003","67.201","0.003","81.584","0.004","60.973","0.003","2281.8","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C120 H88 N8 O8 -","4","2","","Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.","Organic & biomolecular chemistry","2014","12","5","758","764","10.1039/c3ob41955j","","","0.71073","MoKα","","0.0476","0.0402","","","0.1052","0.1125","","","","","","1.027","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153599","13.5728","0.0005","18.3397","0.0007","14.2808","0.0005","90","","90","","90","","3554.8","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C192 H144 N16 O8 -","8","2","","Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.","Organic & biomolecular chemistry","2014","12","5","758","764","10.1039/c3ob41955j","","","0.71073","MoKα","","0.0704","0.0523","","","0.1384","0.1551","","","","","","1.009","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153600","16.9067","0.001","7.6918","0.0004","13.0515","0.0013","90","","101.576","0.007","90","","1662.7","0.2","293","2","293","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C18 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin","New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide.","Organic & biomolecular chemistry","2014","12","5","732","736","10.1039/c3ob42183j","","","0.7107","MoKα","","0.0613","0.0492","","","0.1121","0.1211","","","","","","1.127","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153601","8.85","0.003","12.001","0.004","12.727","0.004","90","","90","","90","","1351.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin","New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide.","Organic & biomolecular chemistry","2014","12","5","732","736","10.1039/c3ob42183j","","","0.71073","MoKα","","0.0703","0.0488","","","0.1148","0.1309","","","","","","0.977","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153602","9.24936","0.00019","10.4306","0.0002","9.62893","0.00018","90","","99.3592","0.0013","90","","916.6","0.03","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br N2 O4 -","- C20 H17 Br N2 O4 -","- C40 H34 Br2 N4 O8 -","2","1","","Kano, Taichi; Takechi, Ryosuke; Kobayashi, Ryohei; Maruoka, Keiji","Chiral Brønsted acid-catalyzed enantioselective addition of indoles to ketimines.","Organic & biomolecular chemistry","2014","12","5","724","727","10.1039/c3ob42190b","","","1.54187","CuKα","","","0.0535","","","","0.1429","","","","","","0.871","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153603","9.5871","0.0016","10.4916","0.0018","14.112","0.002","93.549","0.009","109.31","0.009","95.346","0.01","1327.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Indoles","","","- C16 H12 F3 N -","- C16 H12 F3 N -","- C64 H48 F12 N4 -","4","2","","Das, Bimolendu; Kundu, Priyanka; Chowdhury, Chinmay","Facile synthesis of 2-arylmethylindoles and 2-vinylic indoles through palladium-catalyzed heteroannulations of 2-(2-propynyl)aniline and 2-(2-propynyl)tosylanilide.","Organic & biomolecular chemistry","2014","12","5","741","748","10.1039/c3ob41961d","","","0.71073","MoKα","","0.0735","0.0579","","","0.1732","0.1944","","","","","","1.155","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153604","9.6704","0.0005","9.8238","0.0006","38.263","0.002","90","","90","","90","","3635","0.3","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C34 H46 Br N5 O6 -","- C34 H46 Br N5 O6 -","- C136 H184 Br4 N20 O24 -","4","1","","Nair, Roshna V.; Kotmale, Amol S.; Dhokale, Snehal A.; Gawade, Rupesh L.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Formation of a pseudo-β-hairpin motif utilizing the Ant-Pro reverse turn: consequences of stereochemical reordering.","Organic & biomolecular chemistry","2014","12","5","774","782","10.1039/c3ob42016g","","","0.71073","MoKα","","0.0593","0.0447","","","0.1143","0.1233","","","","","","1.022","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153605","7.8694","0.0012","10.0748","0.0012","13.8855","0.0009","101.946","0.008","92.094","0.008","105.143","0.012","1034.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C52 H52 N4 O2 -","2","1","","Pereshivko, Olga P.; Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V.","Unexpected regio- and chemoselectivity of cationic gold-catalyzed cycloisomerizations of propargylureas: access to tetrasubstituted 3,4-dihydropyrimidin-2(1H)-ones.","Organic & biomolecular chemistry","2014","12","11","1741","1750","10.1039/c3ob42221f","","","0.7107","MoKα","","0.0481","0.0427","","","0.112","0.1161","","","","","","1.036","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153606","9.963","0.0009","10.2126","0.0005","21.0844","0.0018","90","","97.452","0.01","90","","2127.2","0.3","100.5","0.9","100.5","0.9","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","","Pereshivko, Olga P.; Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V.","Unexpected regio- and chemoselectivity of cationic gold-catalyzed cycloisomerizations of propargylureas: access to tetrasubstituted 3,4-dihydropyrimidin-2(1H)-ones.","Organic & biomolecular chemistry","2014","12","11","1741","1750","10.1039/c3ob42221f","","","0.7107","MoKα","","0.0583","0.0458","","","0.1051","0.1122","","","","","","1.08","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153607","8.3806","0.0003","11.1445","0.0004","13.0469","0.0005","107.1","0.003","90.343","0.003","93.898","0.003","1161.56","0.08","278","2","278","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C48 H42 N2 O6 S2 -","2","1","","Jalal, Swapnadeep; Bera, Krishnendu; Sarkar, Soumen; Paul, Kartick; Jana, Umasish","Efficient synthesis of functionalized dihydroquinolines, quinolines and dihydrobenzo[b]azepine via an iron(iii) chloride-catalyzed intramolecular alkyne-carbonyl metathesis of alkyne tethered 2-amino benzaldehyde/acetophenone derivatives.","Organic & biomolecular chemistry","2014","12","11","1759","1770","10.1039/c3ob42292e","","","0.71073","MoKα","","0.0922","0.0504","","","0.1173","0.129","","","","","","0.999","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153608","9.124","0.0005","23.4937","0.0012","12.015","0.0007","90","","102.275","0.008","90","","2516.6","0.3","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C50 H36 B2 F12 N4 -","- C50 H36 B2 F12 N4 -","- C100 H72 B4 F24 N8 -","2","0.5","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.0828","0.0692","","","0.1878","0.1972","","","","","","1.021","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153609","16.7527","0.0011","15.1798","0.0011","23.1208","0.0015","90","","117.527","0.008","90","","5214.1","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 B2 F12 N4 O2 -","- C58 H52 B2 F12 N4 O2 -","- C232 H208 B8 F48 N16 O8 -","4","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.1939","0.0894","","","0.1935","0.2305","","","","","","1.138","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153610","11.4237","0.0003","40.4906","0.001","21.6705","0.0006","90","","100.521","0.007","90","","9855.2","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 B2 F12 N4 -","- C48 H32 B2 F12 N4 -","- C384 H256 B16 F96 N32 -","8","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.1507","0.0739","","","0.1926","0.2183","","","","","","1.056","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153611","10.04744","0.00018","17.2665","0.0004","18.6317","0.0004","112.428","0.001","92.3032","0.0012","104.987","0.0009","2851.07","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H52 B2 Cl2 F4 N8 -","- C60 H52 B2 Cl2 F4 N8 -","- C120 H104 B4 Cl4 F8 N16 -","2","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.1195","0.078","","","0.1745","0.1963","","","","","","1.056","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153612","12.3328","0.0004","26.4067","0.0007","19.8528","0.0006","90","","117.109","0.0018","90","","5755.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 B2 F4 N8 -","- C54 H40 B2 F4 N8 -","- C216 H160 B8 F16 N32 -","4","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.0748","0.0568","","","0.1196","0.1263","","","","","","1.021","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153613","9.263","0.002","10.294","0.002","13.643","0.003","86.448","0.007","75.238","0.007","89.471","0.007","1255.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl N3 Ni O3 -","- C28 H28 Cl N3 Ni O3 -","- C56 H56 Cl2 N6 Ni2 O6 -","2","1","","Bergagnini, Mackenzie; Fukushi, Kazunobu; Han, Jianlin; Shibata, Norio; Roussel, Christian; Ellis, Trevor K.; Aceña, José Luis; Soloshonok, Vadim A.","NH-type of chiral Ni(ii) complexes of glycine Schiff base: design, structural evaluation, reactivity and synthetic applications.","Organic & biomolecular chemistry","2014","12","8","1278","1291","10.1039/c3ob41959b","","","0.71073","MoKα","","0.0357","0.0321","","","0.0792","0.0813","","","","","","1.006","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153614","13.4815","0.0004","8.2127","0.0003","28.9529","0.0009","90","","90","","90","","3205.65","0.18","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H N O S -","- C3.99695 H3.04457 O0.380952 S0.187429 -","- C167.872 H127.872 O16 S7.872 -","42","5.25","","Sivaraman, Mahalingam; Perumal, Paramasivan T.","Synthesis of tetracyclic chromenones via platinum(ii) chloride catalysed cascade cyclization of enediyne-enones.","Organic & biomolecular chemistry","2014","12","8","1318","1327","10.1039/c3ob41911h","","","0.71073","MoKα","","0.0456","0.0357","","","0.0818","0.0894","","","","","","1.089","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153615","7.8303","0.0009","8.7435","0.001","10.6132","0.0011","89.682","0.009","88.864","0.009","67.949","0.011","673.34","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 N2 O0 -","- C17 H12 N2 -","- C34 H24 N4 -","2","1","","Lin, Shaoxia; Li, Mengru; Dong, Zhiyong; Liang, Fushun; Zhang, Jingping","Hypervalent iodine(iii)-mediated cyclopropa(e)nation of alkenes/alkynes under mild conditions.","Organic & biomolecular chemistry","2014","12","8","1341","1350","10.1039/c3ob42123f","","","0.71073","MoKα","","0.0908","0.053","","","0.1165","0.139","","","","","","1.041","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153616","11.3178","0.0006","15.0624","0.0007","8.1854","0.0004","90","","97.093","0.005","90","","1384.71","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Lin, Shaoxia; Li, Mengru; Dong, Zhiyong; Liang, Fushun; Zhang, Jingping","Hypervalent iodine(iii)-mediated cyclopropa(e)nation of alkenes/alkynes under mild conditions.","Organic & biomolecular chemistry","2014","12","8","1341","1350","10.1039/c3ob42123f","","","0.71073","MoKα","","0.058","0.0427","","","0.0966","0.1057","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153617","9.2741","0.001","38.324","0.004","5.081","0.0005","90","","90","","90","","1805.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H16 Br O4 P -","- C19 H16 Br O4 P -","- C76 H64 Br4 O16 P4 -","4","1","","Alegre-Requena, Juan V; Marqués-López, Eugenia; Sanz Miguel, Pablo J.; Herrera, Raquel P.","Organocatalytic enantioselective hydrophosphonylation of aldehydes.","Organic & biomolecular chemistry","2014","12","8","1258","1264","10.1039/c3ob42403k","","","0.71073","MoKα","","0.1159","0.0599","","","0.1352","0.1583","","","","","","1.038","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153618","6.2873","0.0011","12.402","0.002","22.054","0.004","90","","90","","90","","1719.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl O4 P -","- C19 H16 Cl O4 P -","- C76 H64 Cl4 O16 P4 -","4","1","","Alegre-Requena, Juan V; Marqués-López, Eugenia; Sanz Miguel, Pablo J.; Herrera, Raquel P.","Organocatalytic enantioselective hydrophosphonylation of aldehydes.","Organic & biomolecular chemistry","2014","12","8","1258","1264","10.1039/c3ob42403k","","","0.71073","MoKα","","0.0355","0.0315","","","0.0839","0.0883","","","","","","1.047","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153619","9.29","0.0005","16.2681","0.001","16.8894","0.001","90","","90","","90","","2552.5","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N3 O2 Se -","- C28 H29 N3 O2 Se -","- C112 H116 N12 O8 Se4 -","4","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.0361","0.0275","","","0.059","0.0616","","","","","","1.052","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153620","9.5877","0.0015","15.441","0.002","10.176","0.0017","90","","112.072","0.009","90","","1396.1","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 N3 O4 Se -","- C29 H35 N3 O4 Se -","- C58 H70 N6 O8 Se2 -","2","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.1002","0.0441","","","0.0716","0.0801","","","","","","0.921","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153621","10.4368","0.0002","10.9926","0.0002","11.5312","0.0002","90","","102.807","0.001","90","","1290.03","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O Se -","- C15 H13 N O Se -","- C60 H52 N4 O4 Se4 -","4","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.0395","0.0271","","","0.0693","0.0749","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153622","8.0403","0.0013","23.243","0.004","9.3718","0.0015","90","","110.49","0.004","90","","1640.6","0.5","147","2","147","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Dimitrijević, Elena; Cusimano, Madeline; Taylor, Mark S.","Synthesis of benzannulated heterocycles by twofold Suzuki-Miyaura couplings of cyclic diarylborinic acids.","Organic & biomolecular chemistry","2014","12","9","1391","1394","10.1039/c3ob42065e","","","0.71073","MoKα","","0.0718","0.0577","","","0.127","0.1336","","","","","","1.126","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153623","11.2914","0.0014","3.7335","0.0004","21.924","0.003","90","","96.597","0.007","90","","918.1","0.2","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N4 -","- C11 H8 N4 -","- C44 H32 N16 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0999","0.0533","","","0.1134","0.1374","","","","","","0.987","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153624","6.4535","0.0005","7.2728","0.0005","10.4085","0.0006","90","","105.814","0.003","90","","470.03","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H8 N2 S -","- C11 H8 N2 S -","- C22 H16 N4 S2 -","2","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0481","0.0414","","","0.0857","0.0893","","","","","","1.03","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153625","8.0045","0.0001","15.6507","0.0003","9.0232","0.0002","90","","100.439","0.001","90","","1111.68","0.04","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C48 H32 I4 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0247","0.0215","","","0.0507","0.0522","","","","","","1.029","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153626","9.9051","0.0006","7.572","0.0005","14.9735","0.0009","90","","100.491","0.003","90","","1104.26","0.12","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C48 H32 I4 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0299","0.0257","","","0.0627","0.0649","","","","","","1.026","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153627","12.1661","0.0007","7.275","0.0004","14.9877","0.0008","90","","111.517","0.0017","90","","1234.09","0.12","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H10 I N3 O -","- C13 H10 I N3 O -","- C52 H40 I4 N12 O4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0336","0.0281","","","0.0629","0.0653","","","","","","1.054","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153628","6.6989","0.001","8.5117","0.0012","19.409","0.003","90","","96.629","0.005","90","","1099.3","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 I N3 S -","- C10 H6 I N3 S -","- C40 H24 I4 N12 S4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0492","0.0392","","","0.1004","0.1053","","","","","","1.108","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153629","4.4884","0.0002","12.4932","0.0005","22.191","0.001","90","","90","","90","","1244.35","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H7 I2 N3 -","- C12 H7 I2 N3 -","- C48 H28 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.033","0.0314","","","0.0747","0.0756","","","","","","1.039","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153630","4.0838","0.0004","14.2493","0.0013","23.294","0.002","90","","90","","90","","1355.5","0.2","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C12 H6 Cl I2 N3 -","- C12 H6 Cl I2 N3 -","- C48 H24 Cl4 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0529","0.0429","","","0.0796","0.0844","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153631","7.1169","0.0003","8.2892","0.0003","12.3378","0.0005","77.399","0.002","74.075","0.002","73.384","0.002","662.94","0.05","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H6 Cl I2 N3 -","- C12 H6 Cl I2 N3 -","- C24 H12 Cl2 I4 N6 -","2","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0695","0.0416","","","0.0789","0.0884","","","","","","1.068","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153632","13.3","0.003","5.2093","0.0011","21.672","0.006","90","","95.208","0.008","90","","1495.3","0.6","250","2","250","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H6 F3 I2 N3 -","- C13 H6 F3 I2 N3 -","- C52 H24 F12 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0436","0.0327","","","0.0706","0.0756","","","","","","1.032","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153633","8.2536","0.0004","15.6664","0.0007","11.6615","0.0005","90","","108.822","0.002","90","","1427.25","0.11","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 I2 N3 O -","- C13 H9 I2 N3 O -","- C52 H36 I8 N12 O4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0419","0.0348","","","0.0783","0.0808","","","","","","1.123","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153634","4.2004","0.0002","20.7217","0.0014","15.9102","0.0011","90","","97.125","0.003","90","","1374.12","0.15","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 I2 N3 O -","- C13 H9 I2 N3 O -","- C52 H36 I8 N12 O4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0403","0.0356","","","0.108","0.1104","","","","","","1.217","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153635","4.104","0.0001","22.5488","0.0007","25.9538","0.001","90","","90","","90","","2401.77","0.13","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C10 H5 I2 N3 S -","- C10 H5 I2 N3 S -","- C80 H40 I16 N24 S8 -","8","2","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0466","0.0441","","","0.1001","0.1015","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153636","16.5855","0.0003","15.6566","0.0003","14.3263","0.001","90","","118.686","0.008","90","","3263.5","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N4 O6 Pd2 -","- C15 H14 N2 O3 Pd -","- C120 H112 N16 O24 Pd8 -","8","1","","Cheng, Tao; Yin, Weiyu; Zhang, Yi; Zhang, Yingnan; Huang, Yong","Palladium catalyzed acetoxylation of benzylic C-H bonds using a bidentate picolinamide directing group.","Organic & biomolecular chemistry","2014","12","9","1405","1411","10.1039/c3ob42196a","","","1.54178","CuKα","","0.0982","0.0896","","","0.3222","0.3543","","","","","","1.751","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153637","3.9805","0.0012","21.132","0.007","16.71","0.005","90","","96.391","0.004","90","","1396.8","0.8","100","2","100","2","","","","","","","Cally J E Haynes","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O S -","- C14 H20 N2 O S -","- C56 H80 N8 O4 S4 -","4","1","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.0459","0.0393","","","0.0834","0.0871","","","","","","1.072","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153638","9.6713","0.0007","12.217","0.0009","14.0933","0.0011","95.844","0.007","92.324","0.007","104.975","0.007","1596.4","0.2","100","2","100","2","","","","","","","Cally-Jo Elizabeth Haynes","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O S -","- C15 H19 F3 N2 O S -","- C60 H76 F12 N8 O4 S4 -","4","2","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.0626","0.0435","","","0.1086","0.1175","","","","","","1.039","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153639","18.395","0.008","8.682","0.004","9.855","0.005","90","","98.783","0.006","90","","1555.4","1.3","100","2","100","2","","","","","","","Cally-Jo Elizabeth Haynes","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 S -","- C15 H22 N2 O2 S -","- C60 H88 N8 O8 S4 -","4","1","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.081","0.0614","","","0.1388","0.1513","","","","","","1.003","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153640","5.166","0.003","34.07","0.02","7.566","0.005","90","","101.193","0.01","90","","1306.3","1.4","100","2","100","2","","","","","","","Cally-Jo Elizabeth Haynes","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C56 H80 N8 O8 -","4","1","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.0708","0.051","","","0.0988","0.1083","","","","","","1.038","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153641","12.5","0.0004","12.661","0.0003","22.056","0.0007","90","","90","","90","","3490.64","0.18","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C15 H25 B O4 Si -","- C15 H25 B O4 Si -","- C120 H200 B8 O32 Si8 -","8","1","","Goggins, Sean; Rosevere, Eleanor; Bellini, Clément; Allen, Joseph C.; Marsh, Barrie J.; Mahon, Mary F.; Frost, Christopher G.","Silyl-protected dioxaborinanes: application in the Suzuki cross-coupling reaction.","Organic & biomolecular chemistry","2014","12","1","47","52","10.1039/c3ob42099j","","","0.71073","MoKα","","0.1504","0.0573","","","0.1244","0.1581","","","","","","0.979","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153642","15.373","0.0007","14.1912","0.0004","16.2612","0.0007","90","","117.831","0.006","90","","3137.2","0.3","150.15","","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-((6-Ethynyl-7-methyl-7H-purin-2-yl)amino)phenyl)acetamide","","- C16.5 H16 N6 O1.5 -","- C16.5 H16 N6 O1.5 -","- C132 H128 N48 O12 -","8","2","","Lebraud, Honorine; Coxon, Christopher R.; Archard, Victoria S.; Bawn, Carlo M.; Carbain, Benoit; Matheson, Christopher J.; Turner, David M.; Cano, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Baisch, Ulrich; Harrington, Ross W.; Golding, Bernard T.","Model system for irreversible inhibition of Nek2: thiol addition to ethynylpurines and related substituted heterocycles.","Organic & biomolecular chemistry","2014","12","1","141","148","10.1039/c3ob41806e","","","0.7107","MoKα","","0.0569","0.0436","","","0.1046","0.1134","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153643","20.838","0.004","4.7845","0.0009","14.873","0.004","90","","105.57","0.02","90","","1428.4","0.6","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-((6-Ethynyl-9-methyl-9H-purin-2-yl)amino)phenyl)acetamide","","- C16 H14 N6 O -","- C16 H14 N6 O -","- C64 H56 N24 O4 -","4","1","","Lebraud, Honorine; Coxon, Christopher R.; Archard, Victoria S.; Bawn, Carlo M.; Carbain, Benoit; Matheson, Christopher J.; Turner, David M.; Cano, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Baisch, Ulrich; Harrington, Ross W.; Golding, Bernard T.","Model system for irreversible inhibition of Nek2: thiol addition to ethynylpurines and related substituted heterocycles.","Organic & biomolecular chemistry","2014","12","1","141","148","10.1039/c3ob41806e","","","1.5418","CuKα","","0.0947","0.0559","","","0.136","0.1575","","","","","","1.087","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153644","11.5778","0.001","19.919","0.002","15.6456","0.0014","90","","90","","90","","3608.2","0.6","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H32 Br2 Cl2 O4 -","- C43 H32 Br2 Cl2 O4 -","- C172 H128 Br8 Cl8 O16 -","4","1","","Fan, Xing-Wen; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade reaction of 2-aroylvinylcinnamaldehydes with 2-aroylvinylchalcones: rapid assembly of six contiguous stereogenic centers with high diastereoselectivity.","Organic & biomolecular chemistry","2014","12","1","123","131","10.1039/c3ob41656a","","","0.71075","MoKα","","0.038","0.0264","","","0.0508","0.0531","","","","","","0.875","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153645","14.088","0.0014","25.453","0.002","9.816","0.0008","90","","110.36","0.005","90","","3299.9","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Br2 O4 -","- C42 H30 Br2 O4 -","- C168 H120 Br8 O16 -","4","1","","Fan, Xing-Wen; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade reaction of 2-aroylvinylcinnamaldehydes with 2-aroylvinylchalcones: rapid assembly of six contiguous stereogenic centers with high diastereoselectivity.","Organic & biomolecular chemistry","2014","12","1","123","131","10.1039/c3ob41656a","","","0.71075","MoKα","","0.0688","0.0552","","","0.1331","0.1414","","","","","","1.077","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153646","12.46","0.005","7.632","0.003","17.002","0.006","90","","91.153","0.006","90","","1616.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 I N O2 S -","- C16 H16 I N O2 S -","- C64 H64 I4 N4 O8 S4 -","4","1","","Li, Yuewen; Ding, Qiuping; Qiu, Guanyinsheng; Wu, Jie","Synthesis of benzosultams via an intramolecular sp2 C-H bond amination reaction of o-arylbenzenesulfonamides under metal-free conditions.","Organic & biomolecular chemistry","2014","12","1","149","155","10.1039/c3ob41810c","","","0.71073","MoKα","","0.0804","0.054","","","0.1569","0.1747","","","","","","1.053","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153647","9.396","0.004","17.34","0.006","9.934","0.004","90","","114.283","0.004","90","","1475.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","Li, Yuewen; Ding, Qiuping; Qiu, Guanyinsheng; Wu, Jie","Synthesis of benzosultams via an intramolecular sp2 C-H bond amination reaction of o-arylbenzenesulfonamides under metal-free conditions.","Organic & biomolecular chemistry","2014","12","1","149","155","10.1039/c3ob41810c","","","0.71073","MoKα","","0.0804","0.0687","","","0.1731","0.1882","","","","","","1.032","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153648","9.3648","0.0015","6.0541","0.001","12.676","0.002","90","","90.287","0.006","90","","718.7","0.2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Br O2 -","- C17 H15 Br O2 -","- C34 H30 Br2 O4 -","2","1","","Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric chroman synthesis via an intramolecular oxy-Michael addition by bifunctional organocatalysts.","Organic & biomolecular chemistry","2014","12","1","119","122","10.1039/c3ob41938j","","","0.71075","MoKα","","","0.0697","","","","0.1151","","","","","","0.971","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153649","10.7329","0.0004","16.5196","0.0006","19.3778","0.0008","90","","101.241","0.001","90","","3369.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","gamma-lactam","","","- C39 H31 N2 O7 P S -","- C39 H31 N2 O7 P S -","- C156 H124 N8 O28 P4 S4 -","4","1","","Lin, Yu-Wei; Deng, Jie-Cheng; Hsieh, You-Zung; Chuang, Shih-Ching","One-pot formation of fluorescent γ-lactams having an α-phosphorus ylide moiety through three-component α(δ')-Michael reactions of phosphines with an enyne and N-tosyl aldimines.","Organic & biomolecular chemistry","2014","12","1","162","170","10.1039/c3ob41811a","","","0.71073","MoKα","","0.0543","0.0365","","","0.0849","0.0934","","","","","","1.009","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153650","10.2628","0.0016","14.104","0.002","15.146","0.002","85.999","0.003","73.595","0.003","79.998","0.003","2070.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","gamma-lactam","","","- C40 H28 Cl7 N2 O7 P S -","- C40 H28 Cl7 N2 O7 P S -","- C80 H56 Cl14 N4 O14 P2 S2 -","2","1","","Lin, Yu-Wei; Deng, Jie-Cheng; Hsieh, You-Zung; Chuang, Shih-Ching","One-pot formation of fluorescent γ-lactams having an α-phosphorus ylide moiety through three-component α(δ')-Michael reactions of phosphines with an enyne and N-tosyl aldimines.","Organic & biomolecular chemistry","2014","12","1","162","170","10.1039/c3ob41811a","","","0.71073","MoKα","","0.1074","0.0726","","","0.1825","0.2043","","","","","","1.061","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153651","6.2093","0.0004","8.3668","0.0005","11.145","0.0005","74.54","0.003","89.252","0.003","68.175","0.003","515.65","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O -","- C14.0008 H18.0008 O1.0001 -","- C28.0016 H36.0016 O2.0002 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0882","0.0518","","","0.1213","0.1385","","","","","","1.036","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153652","8.8558","0.0002","12.1899","0.0003","12.9536","0.0003","90","","90","","90","","1398.36","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl4 O -","- C14 H14 Cl4 O -","- C56 H56 Cl16 O4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0352","0.0302","","","0.0692","0.072","","","","","","1.065","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153653","6.5349","0.0002","8.802","0.0004","11.7531","0.0005","89.29","0.002","85.351","0.003","89.283","0.003","673.72","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Cl4 O -","- C14 H14 Cl4 O -","- C28 H28 Cl8 O2 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0404","0.0326","","","0.0775","0.082","","","","","","1.041","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153654","14.7642","0.0007","7.4391","0.0003","14.5856","0.0006","90","","91.061","0.002","90","","1601.7","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br2 Cl4 -","- C14 H14 Br2 Cl4 -","- C56 H56 Br8 Cl16 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0647","0.0366","","","0.0819","0.0903","","","","","","1.028","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153655","8.5158","0.0003","12.1809","0.0005","14.7928","0.0005","90","","98.852","0.003","90","","1516.18","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br2 Cl4 -","- C14 H14 Br2 Cl4 -","- C56 H56 Br8 Cl16 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0487","0.0424","","","0.11","0.1162","","","","","","1.025","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153656","13.033","0.001","7.7467","0.0006","12.4282","0.0009","90","","101.998","0.007","90","","1227.37","0.16","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br2 -","- C14 H18 Br2 -","- C56 H72 Br8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0553","0.039","","","0.0893","0.1006","","","","","","1.051","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153657","14.3718","0.0004","6.4978","0.0002","12.7356","0.0004","90","","94.731","0.002","90","","1185.26","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br2 -","- C14 H18 Br2 -","- C56 H72 Br8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0334","0.0233","","","0.0491","0.052","","","","","","1.054","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153658","10.2431","0.0009","14.0654","0.0001","14.0892","0.0002","93.793","0.005","90.314","0.008","93.311","0.008","2021.96","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H34 Co2 F2 N6 O12 -","- C41 H34 Co2 F2 N6 O12 -","- C82 H68 Co4 F4 N12 O24 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.1328","0.0773","","","0.1912","0.229","","","","","","1.036","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153659","7.0652","0.0008","8.2217","0.0009","13.0265","0.0014","92.9","0.003","90.127","0.003","114.75","0.003","686.07","0.13","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 Cl4 -","- C14 H14 Cl4 -","- C28 H28 Cl8 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0615","0.036","","","0.0685","0.075","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153660","7.0286","0.0004","8.7167","0.0005","15.6853","0.0009","83.186","0.002","87.4669","0.0019","66.254","0.0016","873.4","0.09","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 Cl4 -","- C20 H20 Cl4 -","- C40 H40 Cl8 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0354","0.0299","","","0.0744","0.0766","","","","","","1.116","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153661","7.3702","0.0002","7.6424","0.0003","9.3429","0.0003","95.852","0.002","105.352","0.001","93.753","0.001","502.48","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","VA_23","3-Bromo-4-(methoxycarbonyl)-2-(2-nitroethyl)pyrrole","","- C8 H9 Br N2 O4 -","- C8 H9 Br N2 O4 -","- C16 H18 Br2 N4 O8 -","2","1","","Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S.","Hydrophilic tetracarboxy bacteriochlorins for photonics applications.","Organic & biomolecular chemistry","2014","12","1","86","103","10.1039/c3ob41791c","","","0.71073","MoKα","","0.0222","0.0216","","","0.0609","0.0612","","","","","","1.08","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153662","9.5461","0.0004","9.6709","0.0004","15.4442","0.0007","90","","90","","90","","1425.8","0.11","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","VAA-48","3-Bromo-2-(2-nitroethyl)-N-tosylpyrrole","","- C13 H13 Br N2 O4 S -","- C13 H13 Br N2 O4 S -","- C52 H52 Br4 N8 O16 S4 -","4","1","","Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S.","Hydrophilic tetracarboxy bacteriochlorins for photonics applications.","Organic & biomolecular chemistry","2014","12","1","86","103","10.1039/c3ob41791c","","","0.71073","MoKα","","0.0221","0.0192","","","0.0484","0.0491","","","","","","1.057","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153663","9.5255","0.0003","10.2017","0.0004","15.6299","0.0004","96.696","0.001","95.281","0.002","117.086","0.002","1324.84","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 F6 Fe N4 O6 S2 -","- C22 H26 F6 Fe N4 O6 S2 -","- C44 H52 F12 Fe2 N8 O12 S4 -","2","1","","Yazerski, Vital A.; Spannring, Peter; Gatineau, David; Woerde, Charlotte H. M.; Wieclawska, Sara M.; Lutz, Martin; Kleijn, Henk; Klein Gebbink, Robertus J. M.","Making Fe(BPBP)-catalyzed C-H and C[double bond, length as m-dash]C oxidations more affordable.","Organic & biomolecular chemistry","2014","12","13","2062","2070","10.1039/c3ob42249f","","","0.71073","MoKα","","0.0265","0.0245","","","0.0622","0.0633","","","","","","1.047","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153664","13.0481","0.0005","13.2273","0.0005","23.4746","0.0008","102.934","0.002","93.491","0.002","100.629","0.003","3858.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H118 N12 O43 S6 -","- C44 H118 N12 O43 S6 -","- C88 H236 N24 O86 S12 -","2","1","","Rhaman, Md Mhahabubur; Ahmed, Lucky; Wang, Jing; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir","Encapsulation and selectivity of sulfate with a furan-based hexaazamacrocyclic receptor in water.","Organic & biomolecular chemistry","2014","12","13","2045","2048","10.1039/c4ob00116h","","","0.71073","MoKα","","0.072","0.0502","","","0.1278","0.144","","","","","","1.004","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153665","5.9357","0.0012","8.96","0.003","20.683","0.006","90","","90","","90","","1100","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cl2 I O3 S -","- C6 H7 Cl2 I O3 S -","- C24 H28 Cl8 I4 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","0.71073","MoKα","","0.0831","0.0715","","","0.184","0.1976","","","","","","1.072","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153666","7.4192","0.0004","7.6708","0.0004","8.1477","0.0005","90","","101.304","0.005","90","","454.7","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 Cl2 -","- C10 H10 Cl2 -","- C20 H20 Cl4 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","0.71073","MoKα","","0.0368","0.0297","","","0.0578","0.0593","","","","","","1.036","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153667","6.6774","0.0001","10.9657","0.0002","11.0176","0.0002","90","","90","","90","","806.73","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cl O4 S -","- C6 H7 Cl O4 S -","- C24 H28 Cl4 O16 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","1.5418","CuKα","","0.0226","0.0225","","","0.0603","0.0603","","","","","","1.081","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153668","25.257","0.013","7.226","0.004","14.807","0.008","90","","106.999","0.006","90","","2584","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C120 H120 N24 -","8","2","","Zhang, Xinying; Song, Yunping; Gao, Lin; Guo, Xiaojie; Fan, Xuesen","Highly facile and regio-selective synthesis of pyrazolo[1,5-a]pyrimidines via reactions of 1,2-allenic ketones with aminopyrazoles.","Organic & biomolecular chemistry","2014","12","13","2099","2107","10.1039/c3ob42445f","","","0.71073","MoKα","","0.0849","0.0519","","","0.1307","0.1477","","","","","","1.045","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153669","5.784","0.003","16.411","0.009","13.211","0.007","90","","92.703","0.007","90","","1252.6","1.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C60 H60 N12 -","4","1","","Zhang, Xinying; Song, Yunping; Gao, Lin; Guo, Xiaojie; Fan, Xuesen","Highly facile and regio-selective synthesis of pyrazolo[1,5-a]pyrimidines via reactions of 1,2-allenic ketones with aminopyrazoles.","Organic & biomolecular chemistry","2014","12","13","2099","2107","10.1039/c3ob42445f","","","0.71073","MoKα","","0.0804","0.0484","","","0.1084","0.1257","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153670","12.698","0.009","15.704","0.011","15.785","0.019","108.667","0.014","96.252","0.014","111.779","0.01","2675","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 Br2 O -","- C13 H14 Br2 O -","- C104 H112 Br16 O8 -","8","4","","Yang, Dingqiao; Liang, Ni","Platinum-catalyzed anti-stereocontrolled ring-opening of oxabicyclic alkenes with Grignard reagents.","Organic & biomolecular chemistry","2014","12","13","2080","2086","10.1039/c3ob42199f","","","0.71073","MoKα","","0.2821","0.0789","","","0.1502","0.2223","","","","","","0.89","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153671","10.499","0.016","11.042","0.016","16.3","0.02","90","","90","","90","","1890","5","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F3 N4 O S2 -","- C16 H17 F3 N4 O S2 -","- C64 H68 F12 N16 O4 S8 -","4","1","","Mei, Haibo; Xiong, Yiwen; Xie, Chen; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Concise and scalable asymmetric synthesis of 5-(1-amino-2,2,2-trifluoroethyl)thiazolo[3,2-b][1,2,4]triazoles.","Organic & biomolecular chemistry","2014","12","13","2108","2113","10.1039/c3ob42348d","","","0.71073","MoKα","","0.0756","0.0653","","","0.1634","0.1708","","","","","","1.024","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7153672","5.8798","0.0003","10.8995","0.0004","26.8261","0.0013","90","","95.626","0.005","90","","1710.92","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Wang, Xu; Pan, Ying-Ming; Huang, Xiao-Chao; Mao, Zhong-Yuan; Wang, Heng-Shan","A novel methodology for synthesis of dihydropyrazole derivatives as potential anticancer agents.","Organic & biomolecular chemistry","2014","12","13","2028","2032","10.1039/c3ob42432d","","","0.7107","MoKα","","0.1049","0.0599","","","0.1298","0.1574","","","","","","1.034","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153673","6.2718","0.0019","18.621","0.006","19.391","0.006","82.717","0.006","84.77","0.006","86.359","0.006","2233.9","1.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N4 O6 Si -","- C20 H24 N4 O6 Si -","- C80 H96 N16 O24 Si4 -","4","2","","Roy, Arundhati; Datar, Avdhoot; Kand, Dnyaneshwar; Saha, Tanmoy; Talukdar, Pinaki","A fluorescent off-on NBD-probe for F(-) sensing: theoretical validation and experimental studies.","Organic & biomolecular chemistry","2014","12","13","2143","2149","10.1039/c3ob41886c","","","0.71073","MoKα","","0.1875","0.0793","","","0.1806","0.2393","","","","","","0.947","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153674","13.7177","0.001","27.048","0.002","18.9817","0.0014","90","","92.5526","0.0012","90","","7035.9","0.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","[CB4(Ph(OC2H4NH3)2)2]Cl4.nH2O","[CB4(Ph(OC2H4NH3)2)2]Cl4.nH2O","","- C50 H94.28 Cl4 N20 O25.14 -","- C50 H68 Cl2.2785 N20 O16.39 -","- C200 H272 Cl9.114 N80 O65.56 -","4","2","","Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle","Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients.","Organic & biomolecular chemistry","2014","12","15","2413","2422","10.1039/c3ob42603c","","","0.71073","MoKα","","0.0583","0.0529","","","0.121","0.1234","","","","","","1.011","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153675","29.339","0.003","13.8631","0.0013","29.715","0.003","90","","99.2288","0.0016","90","","11930","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetra hydroxyl CB","Tetra hydroxyl CB","","- C100 H155 N32 O49.5 -","- C100 H134 N32 O49.533 -","- C400 H536 N128 O198.132 -","4","1","","Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle","Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients.","Organic & biomolecular chemistry","2014","12","15","2413","2422","10.1039/c3ob42603c","","","0.71073","MoKα","","0.0735","0.0587","","","0.1158","0.1208","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153676","14.868","0.004","9.506","0.003","11.977","0.004","90","","111.598","0.003","90","","1573.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F6 N3 -","- C18 H9 F6 N3 -","- C72 H36 F24 N12 -","4","1","","Huang, Shengdian; Qing, Jie; Wang, Shuo; Wang, Huan; Zhang, Linqi; Tang, Yefeng","Design and synthesis of imidazo[1,2-α][1,8]naphthyridine derivatives as anti-HCV agents via direct C-H arylation.","Organic & biomolecular chemistry","2014","12","15","2344","2348","10.1039/c3ob42525h","","","0.71073","MoKα","","0.0627","0.0554","","","0.1412","0.1472","","","","","","1.14","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153677","13.8234","0.0014","14.4667","0.0014","24.486","0.002","90","","90","","90","","4896.7","0.8","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H33 N3 O -","- C29 H33 N3 O -","- C232 H264 N24 O8 -","8","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander","Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.","Organic & biomolecular chemistry","2014","12","15","2360","2369","10.1039/c3ob41986j","","","0.71073","MoKα","","0.0982","0.0495","","","0.1019","0.1239","","","","","","1.023","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153678","21.585","0.001","7.8022","0.0004","15.6198","0.0008","90","","95.68","0.001","90","","2617.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl N3 O5 -","- C29 H34 Cl N3 O5 -","- C116 H136 Cl4 N12 O20 -","4","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander","Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.","Organic & biomolecular chemistry","2014","12","15","2360","2369","10.1039/c3ob41986j","","","0.71073","MoKα","","0.0569","0.0407","","","0.1005","0.1104","","","","","","1.019","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153679","12.8809","0.0006","8.8823","0.0004","13.1761","0.0006","90","","97.955","0.001","90","","1493","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B F4 N2 -","- C16 H19 B F4 N2 -","- C64 H76 B4 F16 N8 -","4","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander","Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.","Organic & biomolecular chemistry","2014","12","15","2360","2369","10.1039/c3ob41986j","","","0.71073","MoKα","","0.0417","0.0346","","","0.092","0.0975","","","","","","1.012","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153680","7.7069","0.001","10.4968","0.0014","11.1874","0.0015","93.206","0.002","102.273","0.002","104.014","0.002","852.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N O4 -","- C17 H16 Cl N O4 -","- C34 H32 Cl2 N2 O8 -","2","1","","Xin, Xiaoqing; Zhang, Qian; Liang, Yongjiu; Zhang, Rui; Dong, Dewen","Tandem halogenation/Michael-initiated ring-closing reaction of α,β-unsaturated nitriles and activated methylene compounds: one-pot diastereoselective synthesis of functionalized cyclopropanes.","Organic & biomolecular chemistry","2014","12","15","2427","2435","10.1039/c4ob00087k","","","0.71073","MoKα","","0.0763","0.0631","","","0.1618","0.1744","","","","","","1.072","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153681","12.7311","0.001","15.7373","0.0013","9.2462","0.0007","90","","104.025","0.002","90","","1797.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Nitro-<i>9H</i>-3,9'-bicarbazole","","- C24 H15 N3 O2 -","- C24 H15 N3 O2 -","- C96 H60 N12 O8 -","4","1","","Hung, Tran Quang; Thang, Ngo Ngoc; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter","Efficient synthesis of biscarbazoles by palladium-catalyzed twofold C-N coupling and C-H activation reactions.","Organic & biomolecular chemistry","2014","12","16","2596","2605","10.1039/c3ob41746h","","","0.71073","MoKα","","0.1302","0.0547","","","0.0953","0.1219","","","","","","1.009","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153682","12.6024","0.0005","7.6803","0.0002","19.048","0.0007","90","","102.443","0.002","90","","1800.35","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-<i>9H</i>-2,9'-bicarbazole","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Hung, Tran Quang; Thang, Ngo Ngoc; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter","Efficient synthesis of biscarbazoles by palladium-catalyzed twofold C-N coupling and C-H activation reactions.","Organic & biomolecular chemistry","2014","12","16","2596","2605","10.1039/c3ob41746h","","","0.71073","MoKα","","0.0847","0.0514","","","0.1156","0.1352","","","","","","1.028","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153683","10.764","0.003","12.052","0.004","17.532","0.005","90","","107.151","0.007","90","","2173.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 F N2 -","- C27 H23 F N2 -","- C108 H92 F4 N8 -","4","1","","Li, Jian; Wang, Hongni; Sun, Jiangtao; Yang, Yang; Liu, Li","Mild gold-catalyzed three-component dehydrogenative coupling of terminal alkynes to amines and indole-2-carboxaldehyde.","Organic & biomolecular chemistry","2014","12","16","2523","2527","10.1039/c3ob42431f","","","0.71073","MoKα","","0.1725","0.11","","","0.2706","0.3547","","","","","","1.106","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153684","12.368","0.012","13.474","0.014","13.097","0.013","90","","102.866","0.017","90","","2128","4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(Tert-butyldimethylsilyloxy)-6-methoxy-1-phenyl-3, 3a, 4, 8b- tetrahydro-1H- indeno [1, 2-c] isoxazole","","- C23 H31 N O3 Si -","- C23 H31 N O3 Si -","- C92 H124 N4 O12 Si4 -","4","1","","Dulla, Balakrishna; Tangellamudi, Neelima D.; Balasubramanian, Sridhar; Yellanki, Swapna; Medishetti, Raghavender; Kumar Banote, Rakesh; Hari Chaudhari, Girish; Kulkarni, Pushkar; Iqbal, Javed; Reiser, Oliver; Pal, Manojit","Isovanillin derived N-(un)substituted hydroxylamines possessing an ortho-allylic group: valuable precursors to bioactive N-heterocycles.","Organic & biomolecular chemistry","2014","12","16","2552","2558","10.1039/c3ob42460j","","","0.71073","MoKα","","0.0567","0.0506","","","0.1381","0.1448","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153685","11.395","0.004","7.21","0.002","17.653","0.005","90","","110.39","0.018","90","","1359.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F N O2 -","- C17 H12 F N O2 -","- C68 H48 F4 N4 O8 -","4","1","","Ding, Dong; Liu, Gang; Xu, Guangyang; Li, Jian; Wang, Guoping; Sun, Jiangtao","Palladium catalyzed N-H bond insertion and intramolecular cyclization cascade: the divergent synthesis of heterocyclics.","Organic & biomolecular chemistry","2014","12","16","2533","2537","10.1039/c4ob00001c","","","0.71073","MoKα","","0.1061","0.0689","","","0.2064","0.2428","","","","","","1.021","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153686","13.7868","0.0003","9.5016","0.0002","10.9971","0.0003","90","","104.522","0.001","90","","1394.56","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","","Wu, Xiao-Feng; Oschatz, Stefan; Block, Axel; Spannenberg, Anke; Langer, Peter","Base mediated synthesis of 2-aryl-2,3-dihydroquinazolin-4(1H)-ones from 2-aminobenzonitriles and aromatic aldehydes in water.","Organic & biomolecular chemistry","2014","12","12","1865","1870","10.1039/c3ob42434k","","","1.54178","CuKα","","0.0349","0.0329","","","0.0857","0.0878","","","","","","1.042","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153687","7.9294","0.0012","12.763","0.002","16.761","0.003","96.664","0.017","99.981","0.017","97.378","0.014","1640.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2,3-Dichloro-N-[1-methyl-4-(methyloxy)-1H-indazol-3-yl]benzenesulfonamide","","- C15 H13 Cl2 N3 O3 S -","- C15 H13 Cl2 N3 O3 S -","- C60 H52 Cl8 N12 O12 S4 -","4","2","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.0354","0.0277","","","0.0682","0.0735","","","","","","1.086","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153688","9.0361","0.0016","20.725","0.002","21.381","0.006","90","","96.612","0.016","90","","3977.5","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,3-Dichloro-N-[6-chloro-3-({[2-(hydroxymethyl)phenyl]methyl}oxy)-2- pyrazinyl]benzenesulfonamide","","- C18 H14 Cl3 N3 O4 S -","- C18 H14 Cl3 N3 O4 S -","- C144 H112 Cl24 N24 O32 S8 -","8","2","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.1002","0.0615","","","0.1476","0.1716","","","","","","1.069","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153689","7.5758","0.0009","8.7573","0.0009","23.065","0.002","90","","91.905","0.008","90","","1529.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,3-Dichloro-N-[2-(1H-pyrazol-1-yl)phenyl]benzenesulfonamide","","- C15 H11 Cl2 N3 O2 S -","- C15 H11 Cl2 N3 O2 S -","- C60 H44 Cl8 N12 O8 S4 -","4","1","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.0456","0.0367","","","0.0858","0.0949","","","","","","1.083","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153690","7.439","0.0009","8.477","0.0012","13.0579","0.0015","88.763","0.011","84.177","0.01","64.88","0.013","741.5","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2,3-Dichloro-N-[2-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide","","- C13 H9 Cl2 N5 O2 S -","- C13 H9 Cl2 N5 O2 S -","- C26 H18 Cl4 N10 O4 S2 -","2","1","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.0461","0.0358","","","0.0802","0.0872","","","","","","1.03","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153691","5.29","","6.432","","12.429","","86.64","","88.36","","65.8","","385.068","","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H26 O3 S -","- C15 H26 O3 S -","- C15 H26 O3 S -","1","1","","Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo","Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide.","Organic & biomolecular chemistry","2014","12","14","2180","2184","10.1039/c4ob00173g","","","0.71073","MoKα","","0.0857","0.0663","","","0.1611","0.1777","","","","","","0.944","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153692","11.471","","7.889","","15.246","","90","","93.54","","90","","1377.05","","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo","Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide.","Organic & biomolecular chemistry","2014","12","14","2180","2184","10.1039/c4ob00173g","","","0.71073","MoKα","","0.095","0.0547","","","0.1239","0.1438","","","","","","1.032","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153693","7.3715","0.0004","9.3781","0.0007","12.8371","0.0012","96.36","0.007","99.202","0.007","111.905","0.006","798.57","0.12","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br N O -","- C21 H14 Br N O -","- C42 H28 Br2 N2 O2 -","2","1","","Yadav, Pratik; Singh, Surjeet; Sahu, Satya Narayan; Hussain, Firasat; Pratap, Ramendra","Microwave assisted base dependent regioselective synthesis of partially reduced chromenes, isochromenes and phenanthrenes.","Organic & biomolecular chemistry","2014","12","14","2228","2234","10.1039/c3ob41962b","","","0.71073","MoKα","","0.0892","0.0759","","","0.2085","0.2198","","","","","","1.097","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153694","11.0704","0.0014","22.732","0.003","13.049","0.0017","90","","104.428","0.007","90","","3180.2","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 S -","- C19 H16.25 N2 S -","- C152 H130 N16 S8 -","8","4","","Liu, Ge; Kong, Lichun; Shen, Ji; Zhu, Gangguo","A regio- and stereoselective entry to (Z)-β-halo alkenyl sulfides and their applications to access stereodefined trisubstituted alkenes.","Organic & biomolecular chemistry","2014","12","14","2310","2321","10.1039/c4ob00103f","","","0.71073","MoKα","","","0.0785","","","0.1706","0.2387","","","","","","0.913","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153695","6.4986","0.0013","7.2522","0.0015","40.288","0.008","90","","90","","90","","1898.7","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl3 N O3 -","- C18 H20 Cl3 N O3 -","- C72 H80 Cl12 N4 O12 -","4","1","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0595","0.0519","","","0.173","0.1892","","","","","","1.38","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153696","5.8326","0.0012","8.921","0.0018","40.497","0.008","90","","90","","90","","2107.2","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O6 S -","- C22 H23 N O6 S -","- C88 H92 N4 O24 S4 -","4","1","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0905","0.0708","","","0.1263","0.1377","","","","","","1.094","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153697","9.4908","0.0018","11.747","0.002","23.965","0.005","90","","90","","90","","2671.8","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl3 N O -","- C12 H12 Cl3 N O -","- C96 H96 Cl24 N8 O8 -","8","2","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0386","0.0374","","","0.0947","0.0953","","","","","","1.109","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153698","7.1858","0.0003","21.2747","0.0008","8.7923","0.0004","90","","97.085","0.004","90","","1333.87","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","2","","Górecki, Marcin; Suszczyńska, Agata; Woźnica, Magdalena; Baj, Aneta; Wolniak, Michał; Cyrański, Michał K; Witkowski, Stanisław; Frelek, Jadwiga","Chromane helicity rule - scope and challenges based on an ECD study of various trolox derivatives.","Organic & biomolecular chemistry","2014","12","14","2235","2254","10.1039/c3ob42376j","","","0.71073","MoKα","","0.0504","0.0458","","","0.1211","0.1246","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153699","17.928","0.004","21.795","0.004","26.597","0.005","68.93","0.03","79.43","0.03","73.05","0.03","9240","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H93.5 F12 N4.5 O16 P2 -","- C79 H93.5 F12 N4.5 O16 P2 -","- C316 H374 F48 N18 O64 P8 -","4","2","","Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng","Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.","Organic & biomolecular chemistry","2014","12","18","2850","2853","10.1039/c4ob00310a","","","0.71073","MoKα","","0.1368","0.098","","","0.2526","0.2765","","","","","","1.293","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153700","33.928","0.007","26.606","0.005","41.298","0.008","90","","112.64","0.03","90","","34407","14","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H83 F12 N2 O16 P2 -","- C74 H83 F12 N2 O16 P2 -","- C1184 H1328 F192 N32 O256 P32 -","16","2","","Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng","Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.","Organic & biomolecular chemistry","2014","12","18","2850","2853","10.1039/c4ob00310a","","","0.71073","MoKα","","0.1696","0.12","","","0.2932","0.3159","","","","","","1.352","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153701","12.547","0.002","16.146","0.003","21.955","0.004","109.304","0.004","91.346","0.003","91.789","0.003","4192.9","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H102 F12 N4 O17 P2 -","- C86 H102 F12 N4 O17 P2 -","- C172 H204 F24 N8 O34 P4 -","2","1","","Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng","Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.","Organic & biomolecular chemistry","2014","12","18","2850","2853","10.1039/c4ob00310a","","","0.71073","MoKα","","0.1187","0.1017","","","0.2583","0.2755","","","","","","1.11","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153702","5.2268","0.0005","8.9268","0.0009","19.809","0.002","90","","92.227","0.002","90","","923.56","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl O3 -","- C9 H11 Cl O3 -","- C36 H44 Cl4 O12 -","4","1","","Yin, Zhiwei; Zhang, Jinzhu; Wu, Jing; Green, Riana; Li, Sihan; Zheng, Shengping","Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N'-dimethylhydrazine dihydrochloride.","Organic & biomolecular chemistry","2014","12","18","2854","2858","10.1039/c4ob00391h","","","0.71073","MoKα","","0.0266","0.026","","","0.0694","0.0699","","","","","","1.073","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153703","20.214","0.003","10.0193","0.0013","8.196","0.0011","90","","95.8337","0.0018","90","","1651.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cl O3 -","- C8 H9 Cl O3 -","- C64 H72 Cl8 O24 -","8","2","","Yin, Zhiwei; Zhang, Jinzhu; Wu, Jing; Green, Riana; Li, Sihan; Zheng, Shengping","Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N'-dimethylhydrazine dihydrochloride.","Organic & biomolecular chemistry","2014","12","18","2854","2858","10.1039/c4ob00391h","","","0.71073","MoKα","","0.0286","0.0259","","","0.0643","0.0662","","","","","","1.052","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153704","10.1157","0.0003","21.1608","0.0004","10.7272","0.0003","90","","116.05","0.003","90","","2062.95","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O3 -","- C28 H24 O3 -","- C112 H96 O12 -","4","1","","Zhu, Shifa; Hu, Lang; Jiang, Huanfeng","Gold-catalyzed tandem Diels-Alder reactions of enynals/enynones with alkenes: generation and trapping of cyclic o-QDMs.","Organic & biomolecular chemistry","2014","12","24","4104","4111","10.1039/c4ob00321g","","","1.54178","CuKα","","0.043","0.0365","","","0.1116","0.1219","","","","","","0.873","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153705","12.1109","0.0016","12.2037","0.0016","13.4259","0.0018","90","","91.302","0.002","90","","1983.8","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O3 -","- C28 H22 O3 -","- C112 H88 O12 -","4","1","","Zhu, Shifa; Hu, Lang; Jiang, Huanfeng","Gold-catalyzed tandem Diels-Alder reactions of enynals/enynones with alkenes: generation and trapping of cyclic o-QDMs.","Organic & biomolecular chemistry","2014","12","24","4104","4111","10.1039/c4ob00321g","","","0.71073","MoKα","","0.0589","0.0418","","","0.1055","0.1173","","","","","","1.027","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153706","10.7084","0.0006","11.0671","0.0007","12.0232","0.0007","78.662","0.002","84.243","0.002","61.179","0.002","1223.99","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 I N3 O4 -","- C23 H30 I N3 O4 -","- C46 H60 I2 N6 O8 -","2","1","","Chand, S Sarath; Saranya, S; Preethanuj, P; Dhanya, B P; Jijy, E; Prakash, Praveen; Sasidhar, B S; Szymoniak, Jan; Santhini, P V; Radhakrishnan, K V","Trapping the Lewis acid generated transient species from pentafulvene derived diazanorbornenes with ortho-functionalized aryl iodides and aliphatic alcohols.","Organic & biomolecular chemistry","2014","12","19","3045","3061","10.1039/c4ob00031e","","","0.71073","MoKα","","0.0668","0.0598","","","0.1599","0.1722","","","","","","1.119","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153707","10.212","0.003","11.258","0.003","17.747","0.004","90","","98.985","0.004","90","","2015.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br3 N O3 S -","- C18 H18 Br3 N O3 S -","- C72 H72 Br12 N4 O12 S4 -","4","1","","Gopi, Elumalai; Namboothiri, Irishi N. N.","Synthesis of α-tribromomethylamines via Mg-mediated addition of bromoform to imines.","Organic & biomolecular chemistry","2014","12","17","2769","2777","10.1039/c4ob00259h","","","0.71073","MoKα","","0.0351","0.0286","","","0.0584","0.06","","","","","","0.972","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153708","15.502","0.001","13.181","0.001","40.203","0.001","90","","96.52","0.05","90","","8161.6","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","para hexa nitro calix[6]arene TMPA, acetone solvate","","","- C74.05 H69.11 N11 O25.68 -","- C74.053 H69.11 N11 O25.683 -","- C296.212 H276.44 N44 O102.732 -","4","1","","Brugnara, Andrea; Fusaro, Luca; Luhmer, Michel; Prangé, Thierry; Colasson, Benoit; Reinaud, Olivia","An induced-fit process through mechanical pivoting of aromatic walls in host-guest chemistry of calix[6]arene aza-cryptands.","Organic & biomolecular chemistry","2014","12","17","2754","2760","10.1039/c4ob00304g","","","0.982","synchrotron","","0.0824","0.0821","","","0.2222","0.2222","","","","","","1.156","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153709","17.5956","0.0013","7.1768","0.0004","18.6281","0.0012","90","","114.02","0.004","90","","2148.7","0.3","137.6","","137.6","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 F3 N3 O6 -","- C18 H28 F3 N3 O6 -","- C72 H112 F12 N12 O24 -","4","1","","Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk","Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint.","Organic & biomolecular chemistry","2014","12","17","2641","2644","10.1039/c4ob00266k","","","0.71073","MoKα","","0.0368","0.0315","","","0.067","0.0713","","","","","","1.086","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153710","27.66","0.002","10.3977","0.0011","31.516","0.002","90","","115.635","0.007","90","","8171.8","1.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Cl3 N5 O8 -","- C36 H54 Cl3 N5 O8 -","- C288 H432 Cl24 N40 O64 -","8","2","","Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk","Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint.","Organic & biomolecular chemistry","2014","12","17","2641","2644","10.1039/c4ob00266k","","x-ray","1.54178","CuKα","K-L~3~","0.0651","0.0571","","","0.1425","0.1492","","","","","","1.02","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153711","9.5371","0.0007","14.1962","0.001","21.2896","0.0015","90","","97.626","0.002","90","","2856.9","0.4","149.9","","149.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl3 N3 O6 -","- C22 H38 Cl3 N3 O6 -","- C88 H152 Cl12 N12 O24 -","4","1","","Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk","Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint.","Organic & biomolecular chemistry","2014","12","17","2641","2644","10.1039/c4ob00266k","","","0.71073","MoKα","","0.0839","0.054","","","0.1399","0.1626","","","","","","0.938","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153712","23.3123","0.0004","14.7753","0.0002","18.256","0.0003","90","","90","","90","","6288.21","0.17","106","","106","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H28 N4 O4 -","- C38 H28 N4 O4 -","- C304 H224 N32 O32 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.0375","","","","0.0994","","","","","","1.072","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153713","11.1289","0.0004","12.3596","0.0004","12.6371","0.0004","102.539","0.002","96.811","0.002","113.934","0.0018","1508.68","0.09","108","","108","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H28 N4 O2 -","- C38 H28 N4 O2 -","- C76 H56 N8 O4 -","2","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.044","","","","0.1348","","","","","","1.096","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153714","13.0039","0.0003","14.398","0.0003","18.6793","0.0004","99.561","0.007","91.793","0.007","103.561","0.007","3343.59","0.18","117","","117","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Cl2 N4 O3 -","- C38 H26 Cl2 N4 O3 -","- C152 H104 Cl8 N16 O12 -","4","2","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.0784","","","","0.1922","","","","","","1.021","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153715","15.9572","0.0003","8.7817","0.0002","16.7713","0.0003","90","","91.2657","0.0012","90","","2349.61","0.08","117","2","117","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H44 Cl4 O4 -","- C60 H44 Cl4 O4 -","- C120 H88 Cl8 O8 -","2","0.5","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.0601","0.0449","","","0.1171","0.1301","","","","","","1.072","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153716","28.4477","0.0018","10.8997","0.0006","23.5205","0.0014","90","","98.339","0.003","90","","7215.9","0.7","117","2","117","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Cl2 N3 O3 -","- C36 H21 Cl2 N3 O3 -","- C288 H168 Cl16 N24 O24 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.1457","0.0839","","","0.2156","0.2747","","","","","","0.985","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153717","7.5275","0.0001","27.5908","0.0006","26.168","0.0006","90","","90","","90","","5434.83","0.19","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H28 O2 -","- C32 H28 O2 -","- C256 H224 O16 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.084","0.0631","","","0.1804","0.1934","","","","","","1.099","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153718","20.9635","0.0003","13.2472","0.0002","22.6274","0.0004","90","","90","","90","","6283.8","0.17","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H28 N4 O4 -","- C38 H28 N4 O4 -","- C304 H224 N32 O32 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.1275","","","","0.2983","","","","","","1.042","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153719","28.1011","0.0005","10.9295","0.0002","23.4906","0.0004","90","","97.8432","0.001","90","","7147.2","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 N3 O3 -","- C38 H27 N3 O3 -","- C304 H216 N24 O24 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.1127","0.0644","","","0.1592","0.1923","","","","","","0.998","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153720","10.0721","0.0002","13.6832","0.0003","23.3065","0.0004","90","","95.6174","0.0009","90","","3196.64","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 N3 O5 -","- C38 H27 N3 O5 -","- C152 H108 N12 O20 -","4","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.0701","0.0426","","","0.1027","0.1368","","","","","","1.118","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153721","8.7226","0.0016","19.987","0.004","9.9442","0.0019","90","","114.349","0.003","90","","1579.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Zhang, Jiajun; Li, Pinhua; Wang, Lei","KOAc-promoted alkynylation of α-C-H bonds of ethers with alkynyl bromides under transition-metal-free conditions.","Organic & biomolecular chemistry","2014","12","18","2969","2978","10.1039/c4ob00002a","","","0.71073","MoKα","","0.0667","0.0475","","","0.122","0.1376","","","","","","1.045","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153722","9.2718","0.0019","9.5841","0.0014","10.492","0.0015","73.388","0.013","84.716","0.014","79.196","0.015","876.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","","Goutham, Kommuru; Mangina, N. S. V. M. Rao; Suresh, Surisetti; Raghavaiah, Pallepogu; Karunakar, Galla V.","Gold-catalysed cyclisation of N-propargylic β-enaminones to form 3-methylene-1-pyrroline derivatives.","Organic & biomolecular chemistry","2014","12","18","2869","2873","10.1039/c3ob42513d","","","0.71073","MoKα","","0.0961","0.051","","","0.0894","0.1096","","","","","","0.978","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153723","15.7704","0.0009","17.0399","0.0009","17.7847","0.0009","82.212","0.001","72.642","0.002","85.179","0.002","4514.7","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.5 H48.5 Cl1.5 N2 S -","- C48.5 H48.5 Cl1.5 N2 S -","- C194 H194 Cl6 N8 S4 -","4","2","","Maeda, Chihiro; Masuda, Motoki; Yoshioka, Naoki","Synthesis of carbazole-based hetero-core-modified porphyrins.","Organic & biomolecular chemistry","2014","12","17","2656","2662","10.1039/c3ob42564a","","","0.71073","MoKα","","0.0885","0.0642","","","0.1751","0.1934","","","","","","1.106","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153724","8.6058","0.0004","7.5126","0.0003","22.4696","0.0008","90","","97.873","0.002","90","","1439.01","0.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10,10-diethyl-2-(2-hydroxyethyl)-6,8-dioxo-6,7,8,10-tetrahydro-1H-imidazo- [2',1:3,4][1,4,2]diazaborolo[1,5-c]pyrimidin-4-iunm-10-uide","","- C13 H19 B N4 O3 -","- C13 H19 B N4 O3 -","- C52 H76 B4 N16 O12 -","4","1","","Zhang, Jiaxi; Pidlypnyi, Nazar; Nieger, Martin; Namyslo, Jan C.; Schmidt, Andreas","Zwitterionic borane adducts of N-heterocyclic carbenes from mesomeric betaines of uracil.","Organic & biomolecular chemistry","2014","12","17","2737","2744","10.1039/c3ob42462f","","","0.71073","MoKα","","0.1047","0.0906","","","0.2091","0.2201","","","","","","1.061","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153725","35.612","0.003","8.829","0.001","11.287","0.001","90","","90","","90","","3548.8","0.6","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-benzyl-10,10-diethyl-6,8-dioxo-6,7,8,10-tetrahydro-1H-imidazo [2',1:3,4][1,4,2]diazaborolo[1,5-c]pyrimidin-4-ium-10-uide","","- C18 H21 B N4 O2 -","- C18 H21 B N4 O2 -","- C144 H168 B8 N32 O16 -","8","2","","Zhang, Jiaxi; Pidlypnyi, Nazar; Nieger, Martin; Namyslo, Jan C.; Schmidt, Andreas","Zwitterionic borane adducts of N-heterocyclic carbenes from mesomeric betaines of uracil.","Organic & biomolecular chemistry","2014","12","17","2737","2744","10.1039/c3ob42462f","","","0.71073","MoKα","","0.0624","0.0505","","","0.112","0.1174","","","","","","1.12","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153726","10.0503","0.0002","10.952","0.0002","11.2054","0.0003","74.3842","0.0008","68.6115","0.0008","80.1552","0.0012","1102.4","0.04","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C54 H58 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0525","0.0409","","0.109","0.0961","0.109","","","","","","0.9333","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153727","8.66504","0.00013","9.9818","0.0002","18.4067","0.0004","90","","90","","90","","1592.05","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0339","0.0323","","0.0839","0.0811","0.0826","","","","","","1.0003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153728","11.23757","0.0001","11.23757","0.0001","31.9939","0.0003","90","","90","","120","","3498.99","0.05","150","","150","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C162 H174 N6 O12 -","6","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0336","0.033","","0.0854","0.0849","0.0854","","","","","","1.0089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153729","9.7215","0.0003","13.5384","0.0002","10.1187","0.0003","90","","116.959","0.003","90","","1187.04","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 N O2 -","- C28 H31 N O2 -","- C56 H62 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0383","0.0368","","0.1008","0.0986","0.1007","","","","","","0.9976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153730","10.27494","0.00011","10.27815","0.0001","12.21513","0.00016","90","","107.27","0.0013","90","","1231.85","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C58 H66 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0293","0.0282","","0.0763","0.0748","0.0763","","","","","","0.9348","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153731","12.4852","0.0002","9.9345","0.0002","15.0329","0.0003","90","","100.016","0.0009","90","","1836.17","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H29 N O2 -","- C18 H29 N O2 -","- C72 H116 N4 O8 -","4","2","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0491","0.0434","","0.1086","0.1031","0.1086","","","","","","0.9156","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153732","12.315","0.0001","15.4817","0.0002","29.8308","0.0003","90","","90","","90","","5687.45","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H36 N O2.5 -","- C34.5 H36 N O2.5 -","- C276 H288 N8 O20 -","8","2","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0454","0.0439","","0.1179","0.1164","0.1179","","","","","","0.9978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153733","8.93933","0.00011","14.19427","0.00018","10.40085","0.00016","90","","98.842","0.0013","90","","1304.05","0.03","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 B F4 N O2 -","- C27 H36 B F4 N O2 -","- C54 H72 B2 F8 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0285","0.0275","","0.0696","0.0686","0.0695","","","","","","0.9882","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153734","10.7026","0.0007","15.0868","0.0009","16.8872","0.0008","90","","90","","90","","2726.7","0.3","150","","150","","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C31 H35 N O2 -","- C31 H35 N O2 -","- C124 H140 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0794","0.074","","0.2054","0.1998","0.2054","","","","","","0.9966","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153735","5.421","0.0001","8.9375","0.0003","11.4409","0.0003","90","","101.827","0.0012","90","","542.55","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H18 Cl N O2 -","- C9 H18 Cl N O2 -","- C18 H36 Cl2 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0254","0.0242","","0.0563","0.0553","0.0563","","","","","","1.0066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153736","21.828","0.004","9.4747","0.0016","22.495","0.004","90","","95.114","0.01","90","","4633.8","1.4","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C108 H136 N12 -","- C102.263 H123.569 N12 -","- C204.526 H247.139 N24 -","2","0.5","","Schweighauser, Luca; Häussinger, Daniel; Neuburger, Markus; Wegner, Hermann A.","Symmetry as a new element to control molecular switches.","Organic & biomolecular chemistry","2014","12","21","3371","3379","10.1039/c4ob00230j","","","0.71073","MoKα","","0.1755","0.0633","","0.1986","0.0657","0.0778","","","","","","1.053","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153737","6.3212","0.0016","7.4318","0.0019","33.967","0.009","90","","90","","90","","1595.7","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0939","0.0478","","","0.0928","0.1132","","","","","","1","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153738","14.2395","0.0019","7.5461","0.001","32.144","0.004","90","","90","","90","","3454","0.8","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H17 N -","- C25 H17 N -","- C200 H136 N8 -","8","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.1219","0.0498","","","0.1021","0.1364","","","","","","0.993","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153739","15.95","0.02","7.413","0.01","6.299","0.009","90","","94.011","0.018","90","","743","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 F N -","- C21 H14 F N -","- C42 H28 F2 N2 -","2","0.5","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.1626","0.0663","","","0.1535","0.1912","","","","","","1.048","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153740","12.397","0.005","13.109","0.005","13.546","0.005","90","","93.129","0.005","90","","2198.1","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N O2 -","- C29 H23 N O2 -","- C116 H92 N4 O8 -","4","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.086","0.0494","","","0.1221","0.1421","","","","","","1.035","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153741","13.9977","0.0016","10.9009","0.0012","18.025","0.002","90","","101.979","0.001","90","","2690.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Cl Fe N4 Pd -","- C31 H27 Cl Fe N4 Pd -","- C124 H108 Cl4 Fe4 N16 Pd4 -","4","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0598","0.0362","","","0.0772","0.0888","","","","","","1","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153742","16.077","0.002","12.6076","0.0017","37.742","0.005","90","","90","","90","","7650","1.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H47 Cl Fe N4 Pd -","- C41 H47 Cl Fe N4 Pd -","- C328 H376 Cl8 Fe8 N32 Pd8 -","8","2","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0766","0.0525","","","0.1301","0.1462","","","","","","1.049","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153743","7.925","0.0016","11.508","0.002","17.714","0.004","73.96","0.03","81.78","0.03","81.29","0.03","1526","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N2 O4 S -","- C36 H34 N2 O4 S -","- C72 H68 N4 O8 S2 -","2","1","","Kobayashi, Satoru; Kudo, Kenji; Ito, Ai; Hirama, Satoru; Otani, Takashi; Saito, Takao","The diene-transmissive hetero-Diels-Alder reaction of 2-vinyl α,β-unsaturated aldimines: stereoselective synthesis of hexahydroquinazolin-2-ones.","Organic & biomolecular chemistry","2014","12","24","4061","4064","10.1039/c4ob00224e","","","0.71073","MoKα","","0.0835","0.0678","","","0.1534","0.1643","","","","","","0.969","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153744","9.448","0.0019","13.551","0.003","34.449","0.007","84.72","0.03","86.19","0.03","87.63","0.03","4379.3","1.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 Cl N3 -","- C17 H14 Cl N3 -","- C204 H168 Cl12 N36 -","12","6","","Chen, Huoji; Yang, Wanfei; Wu, Wanqing; Jiang, Huanfeng","Palladium-catalyzed regioselective azidation of allylic C-H bonds under atmospheric pressure of dioxygen.","Organic & biomolecular chemistry","2014","12","21","3340","3343","10.1039/c4ob00442f","","","0.71073","MoKα","","0.129","0.051","","","0.1421","0.1508","","","","","","0.842","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153745","7.9687","0.0008","9.4665","0.0009","9.6211","0.0009","62.398","0.009","77.124","0.008","81.985","0.008","626.45","0.12","120","2","120","2","","","","","","","","4","P 1","P 1","1","","ethyl-4,6-di(1H-indol-3-yl)-1-phenylpiperidin-2-carboxylate","","- C30 H29 N3 O2 -","- C30 H29 N3 O2 -","- C30 H29 N3 O2 -","1","1","","Zhong, Sabilla; Nieger, Martin; Bihlmeier, Angela; Shi, Min; Bräse, Stefan","Asymmetric organocatalytic synthesis of 4,6-bis(1H-indole-3-yl)-piperidine-2 carboxylates.","Organic & biomolecular chemistry","2014","12","20","3265","3270","10.1039/c4ob00234b","","","1.54178","CuKα","","0.0263","0.026","","","0.0664","0.0666","","","","","","1.053","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153746","9.094","0.005","13.65","0.005","16.253","0.005","80.99","0.03","85.1","0.03","72.87","0.04","1902.6","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O2 S0 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","2","","Singh, Surjeet; Yadav, Pratik; Sahu, Satya Narayan; Althagafi, Ismail; Kumar, Abhinav; Kumar, Brijesh; Ram, Vishnu Ji; Pratap, Ramendra","Synthesis of 1-amino-2-aroyl/acetylnaphthalenes through a base mediated one pot inter and intramolecular C-C bond formation strategy.","Organic & biomolecular chemistry","2014","12","26","4730","4737","10.1039/c4ob00432a","","","0.71073","MoKα","","0.1815","0.0787","","","0.1529","0.2068","","","","","","1.01","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153747","6.4358","0.0003","12.1826","0.0007","12.7387","0.0007","103.653","0.005","103.478","0.005","95.006","0.004","933.06","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Cl N O4 S -","- C19 H14 Cl N O4 S -","- C38 H28 Cl2 N2 O8 S2 -","2","1","","Yu, Lian; Cao, Jian","Synthesis of α,β-unsaturated amides and iminocoumarins from N,N-disulfonyl ynamides with aldehydes via the ketenimine intermediate.","Organic & biomolecular chemistry","2014","12","23","3986","3990","10.1039/c4ob00513a","","","0.71073","MoKα","","0.0601","0.0423","","","0.0986","0.1107","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153748","6.2925","0.0005","22.0931","0.0018","15.8946","0.0013","90","","90.198","0.001","90","","2209.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 Cl N O6 S -","- C19 H28 Cl N O6 S -","- C76 H112 Cl4 N4 O24 S4 -","4","2","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","","0.71073","MoKα","","0.0725","0.0696","","","0.186","0.1875","","","","","","1.177","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153749","9.2379","0.0002","10.1214","0.0002","19.9426","0.0005","90","","90","","90","","1864.64","0.07","123","2","123","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 N O6 S -","- C15 H27 N O6 S -","- C60 H108 N4 O24 S4 -","4","1","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","x-ray","0.71073","MoKα","","0.0301","0.0279","","","0.0622","0.0637","","","","","","1.057","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153750","9.4099","0.0009","9.4099","0.0009","31.116","0.003","90","","90","","120","","2386.1","0.4","123","2","123","2","","","","","","","","6","P 31","P 31","144","","","","- C12 H24 Cl N O4 S -","- C12 H24 Cl N O4 S -","- C72 H144 Cl6 N6 O24 S6 -","6","2","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","","0.71073","MoKα","","0.0392","0.039","","","0.0981","0.0981","","","","","","1.244","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153751","12.308","0.007","13.358","0.007","18.357","0.01","76.993","0.007","87.634","0.008","86.828","0.007","2935","3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","MolGyro","","","- C60 H112 Si2 -","- C60 H112 Si2 -","- C120 H224 Si4 -","2","1","","Setaka, Wataru; Higa, Sayaka; Yamaguchi, Kentaro","Ring-closing metathesis for the synthesis of a molecular gyrotop.","Organic & biomolecular chemistry","2014","12","21","3354","3357","10.1039/c4ob00470a","","","0.71073","MoKα","","0.3208","0.0927","","","0.1639","0.2323","","","","","","0.802","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153752","14.53","0.003","18.768","0.003","21.753","0.004","95.313","0.002","90.751","0.003","92.942","0.002","5897.8","1.9","200","2","200","2","","","","","","","","3","P -1","-P 1","2","MolGyroIsomer","","","- C60 H112 Si2 -","- C60 H112 Si2 -","- C240 H448 Si8 -","4","2","","Setaka, Wataru; Higa, Sayaka; Yamaguchi, Kentaro","Ring-closing metathesis for the synthesis of a molecular gyrotop.","Organic & biomolecular chemistry","2014","12","21","3354","3357","10.1039/c4ob00470a","","","0.71073","MoKα","","0.237","0.0877","","","0.1959","0.2645","","","","","","0.957","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153753","22.8898","0.0013","22.8898","0.0013","32.1163","0.0019","90","","90","","120","","14572.7","1.5","100","2","100","2","","","","","","","synthesis as described","4","P 62 2 2","P 62 2 (0 0 4)","180","AG.118-B","","","- C66 H96 N8 O22 -","- C66 H96 N8 O22 -","- C396 H576 N48 O132 -","6","0.5","","Guerra, Arcadio; Brea, Roberto J.; Amorín, Manuel; Castedo, Luis; Granja, Juan R.","Self-assembling properties of all γ-cyclic peptides containing sugar amino acid residues.","Organic & biomolecular chemistry","2012","10","44","8762","8766","10.1039/c2ob26612a","","x-ray","0.71073","MoKα","","0.0859","0.0718","","","0.2052","0.219","","","","","","1.082","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153754","10.9625","0.0016","12.4135","0.0017","12.6502","0.0018","115.78","0.001","94.564","0.002","100.874","0.002","1496.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 N O6 S Si -","- C29 H39 N O6 S Si -","- C58 H78 N2 O12 S2 Si2 -","2","1","","Guan, Yifu; Zhang, Hongbin; Pan, Chengxue; Wang, Jia; Huang, Rong; Li, Qilin","Flexible synthesis of montanine-like alkaloids: revisiting the structure of montabuphine.","Organic & biomolecular chemistry","2012","10","19","3812","3814","10.1039/c2ob25374g","","","0.71073","MoKα","","0.088","0.0529","","","0.1385","0.1622","","","","","","1.04","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153755","8.954","0.0018","9.455","0.0019","17.176","0.003","90","","90","","90","","1454.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","","Zhang, Yu; Lu, Yingyan; Tang, Weifang; Lu, Tao; Du, Ding","Cooperative N-heterocyclic carbene (NHC)-Lewis acid-mediated regioselective umpolung formal [3 + 2] annulations of alkynyl aldehydes with isatins.","Organic & biomolecular chemistry","2014","12","19","3009","3015","10.1039/c4ob00145a","","","0.71073","MoKα","","0.0713","0.0474","","","0.1126","0.1259","","","","","","1.009","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153756","10.9442","0.001","12.2254","0.0012","17.017","0.0017","83.291","0.008","72.695","0.009","73.531","0.009","2083.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N4 O12 Si2 -","- C38 H48 N4 O12 Si2 -","- C76 H96 N8 O24 Si4 -","2","1","","Ye, Xincui; Sun, Xianwei; Huang, Zhenggang; Yang, Na; Su, Zhishan; Hu, Changwei; Song, Zhenlei","Regioselective 1,4- over 1,2-addition of 3,3-bis(silyl) allyloxy lithium to enals, enones and enoates. The remarkable α-effect of silicon.","Organic & biomolecular chemistry","2014","12","19","3021","3025","10.1039/c4ob00139g","","","0.7107","MoKα","","0.1519","0.0709","","","0.1429","0.1871","","","","","","0.943","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153757","8.2957","0.0008","9.7941","0.001","27.385","0.003","81.1","0.008","84.633","0.008","87.844","0.008","2188","0.4","294.04","0.1","294.04","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H48 N4 O12 Si2 -","- C35 H48 N4 O12 Si2 -","- C70 H96 N8 O24 Si4 -","2","1","","Ye, Xincui; Sun, Xianwei; Huang, Zhenggang; Yang, Na; Su, Zhishan; Hu, Changwei; Song, Zhenlei","Regioselective 1,4- over 1,2-addition of 3,3-bis(silyl) allyloxy lithium to enals, enones and enoates. The remarkable α-effect of silicon.","Organic & biomolecular chemistry","2014","12","19","3021","3025","10.1039/c4ob00139g","","","0.7107","MoKα","","0.1169","0.0748","","","0.2098","0.2439","","","","","","1.013","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153758","10.979","0.004","10.814","0.004","16.912","0.006","90","","99.916","0.005","90","","1977.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","?acyl","4,5-dibromo-N-(3-(imidazo[1,2-a]pyrimidin-3-yl)-3-oxopropyl)-1H-pyrrole-2-carboxamide ?","","- C15 H12 Br2 Cl3 N5 O2 -","- C15 H12 Br2 Cl3 N5 O2 -","- C60 H48 Br8 Cl12 N20 O8 -","4","1","","Rasapalli, Sivappa; Kumbam, Venkatreddy; Dhawane, Abasaheb N.; Golen, James A.; Lovely, Carl J.; Rheingold, Arnold L.","Total syntheses of oroidin, hymenidin and clathrodin.","Organic & biomolecular chemistry","2013","11","25","4133","4137","10.1039/c3ob40668g","","","0.71073","MoKα","","0.0684","0.0449","","","0.0799","0.0899","","","","","","1.093","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153759","11.3351","0.0008","8.8693","0.0006","13.8303","0.0009","90","","97.095","0.001","90","","1379.77","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 F3 O9 -","- C29 H33 F3 O9 -","- C58 H66 F6 O18 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0544","0.0469","","","0.1194","0.1275","","","","","","1.02","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153760","13.0117","0.0008","8.5712","0.0005","20.0486","0.0012","90","","99.543","0.001","90","","2205","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H56 N2 O13 -","- C45 H56 N2 O13 -","- C90 H112 N4 O26 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0479","0.0405","","","0.1063","0.119","","","","","","1.061","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153761","12.9183","0.0017","8.5389","0.0012","19.772","0.003","90","","98.06","0.002","90","","2159.5","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H55 F N2 O12 -","- C45 H55 F N2 O12 -","- C90 H110 F2 N4 O24 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0639","0.0506","","","0.1101","0.121","","","","","","1.022","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153762","16.388","0.008","10.033","0.005","28.031","0.014","90","","92.717","0.006","90","","4604","4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H57 N O15 -","- C43 H53 N O14 -","- C172 H212 N4 O56 -","4","2","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.3611","0.1245","","","0.2904","0.3775","","","","","","1.167","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153763","8.9076","0.0005","9.0591","0.0005","17.7228","0.001","97.88","0.001","103.75","0.001","102.067","0.001","1331.93","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cs2 N2 O7 S -","- C22 H30 Cs2 N2 O7 S -","- C44 H60 Cs4 N4 O14 S2 -","2","1","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.0287","0.0233","","","0.0621","0.0723","","","","","","1.134","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153764","7.399","0.003","9.641","0.005","12.392","0.006","95.954","0.008","96.675","0.008","96.258","0.008","866.7","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 Br4 N4 -","- C36 H40 Br4 N4 -","- C36 H40 Br4 N4 -","1","0.5","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.1281","0.0966","","","0.2542","0.2815","","","","","","1.022","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153765","10.0192","0.0009","10.1213","0.0009","11.659","0.0011","110.849","0.002","103.926","0.002","103.909","0.002","1000.74","0.16","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","1","0.5","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.0693","0.0529","","","0.1359","0.1477","","","","","","1.022","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153766","13.997","0.004","13.997","0.004","23.804","0.006","90","","90","","90","","4664","2","120","","120","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C90 H106 Ag2 F6 N8 O23 S2 -","- C90 H104 Ag2 F6 N8 O23 S2 -","- C180 H208 Ag4 F12 N16 O46 S4 -","2","0.25","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.0721","0.056","","","0.1417","0.154","","","","","","1.118","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153767","9.835","0.0009","11.3859","0.0011","20.5315","0.0018","95.285","0.002","90.429","0.002","103.41","0.002","2225.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O2 S -","- C27 H25 N O2 S -","- C108 H100 N4 O8 S4 -","4","2","","Chen, Kai; Sun, Run; Xu, Qin; Wei, Yin; Shi, Min","Thermal induced intramolecular [2 + 2] cycloaddition of allene-ACPs.","Organic & biomolecular chemistry","2013","11","24","3949","3953","10.1039/c3ob40911b","","","0.71073","MoKα","","0.0676","0.0512","","","0.132","0.1452","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153768","17.295","0.002","9.6616","0.0013","29.081","0.004","90","","99.435","0.003","90","","4793.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl N O2 S -","- C27 H26 Cl N O2 S -","- C216 H208 Cl8 N8 O16 S8 -","8","2","","Chen, Kai; Sun, Run; Xu, Qin; Wei, Yin; Shi, Min","Thermal induced intramolecular [2 + 2] cycloaddition of allene-ACPs.","Organic & biomolecular chemistry","2013","11","24","3949","3953","10.1039/c3ob40911b","","","0.71073","MoKα","","0.0989","0.0609","","","0.1492","0.1733","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153769","9.222","0.001","10.052","0.0014","9.82","0.0012","90","","105.015","0.009","90","","879.23","0.19","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C38 H48 O8 -","2","1","","Miesch, Laurence; Welsch, Tania; Miesch, Michel","Stereoselective cross aldol condensation of bicyclo[3.2.0]alkanones.","Organic & biomolecular chemistry","2013","11","24","4025","4029","10.1039/c3ob40431e","","","0.71073","MoKα","","0.1163","0.0577","","","0.0884","0.1039","","","","","","1.02","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153770","10.901","0.003","5.9316","0.0018","30.312","0.009","90","","91.762","0.005","90","","1959.1","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl N4 O3 S -","- C21 H17 Cl N4 O3 S -","- C84 H68 Cl4 N16 O12 S4 -","4","1","","Niu, Xiaoyi; Yang, Bingchuan; Li, Yanqiu; Fang, Shuai; Huang, Zixiao; Xie, Caixia; Ma, Chen","A transition metal-free tandem process to pyridazinopyrido[3,2-f][1,4]thiazepine-diones via Smiles rearrangement.","Organic & biomolecular chemistry","2013","11","24","4102","4108","10.1039/c3ob40719e","","","0.71073","MoKα","","0.124","0.0558","","","0.1595","0.2185","","","","","","0.844","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153771","8.4042","0.0008","9.8413","0.0009","10.3659","0.0009","76.975","0.003","72.998","0.003","77.774","0.003","788.93","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C40 H30 N2 O8 -","2","1","","Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna","Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates.","Organic & biomolecular chemistry","2014","12","21","3366","3370","10.1039/c4ob00437j","","","0.71073","MoKα","","0.0551","0.0437","","","0.1462","0.1573","","","","","","1.252","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153772","7.2807","0.0003","23.1644","0.0011","12.4215","0.0006","90","","98.89","0.0014","90","","2069.76","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O10 S -","- C19 H18 N2 O10 S -","- C76 H72 N8 O40 S4 -","4","1","","Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna","Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates.","Organic & biomolecular chemistry","2014","12","21","3366","3370","10.1039/c4ob00437j","","","0.71073","MoKα","","0.0804","0.068","","","0.2406","0.248","","","","","","1.999","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153773","8.447","0.006","9.631","0.006","22.349","0.013","90","","91.54","0.02","90","","1818","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O6 -","- C22 H16 N O6 -","- C88 H64 N4 O24 -","4","1","","Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna","Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates.","Organic & biomolecular chemistry","2014","12","21","3366","3370","10.1039/c4ob00437j","","","0.71073","MoKα","","0.0763","0.0478","","","0.1455","0.1634","","","","","","1.121","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153774","5.3381","0.0005","25.844","0.0019","11.069","0.001","90","","99.555","0.007","90","","1505.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 S4 -","- C14 H17 N3 S4 -","- C56 H68 N12 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.1176","0.0579","","","0.1453","0.164","","","","","","1.011","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153775","6.3081","0.0014","8.1474","0.0016","22.67","0.005","94.79","0.03","96.73","0.02","92.57","0.02","1151.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 S4 Si2 -","- C18 H24 S4 Si2 -","- C36 H48 S8 Si4 -","2","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.1165","0.0555","","","0.0943","0.1139","","","","","","1.072","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153776","6.7025","0.0005","19.621","0.002","20.267","0.003","90","","90","","90","","2665.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N6 S4 -","- C26 H22 N6 S4 -","- C104 H88 N24 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.0876","0.0482","","","0.0789","0.0923","","","","","","1.125","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153777","9.7854","0.0006","11.173","0.0007","11.332","0.0005","70.909","0.004","81.108","0.004","68.833","0.004","1090.88","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 B F4 N3 S4 -","- C18 H18 B F4 N3 S4 -","- C36 H36 B2 F8 N6 S8 -","2","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.0804","0.0657","","","0.2094","0.2255","","","","","","1.132","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153778","4.8956","0.0002","18.524","0.0006","12.7557","0.0004","90","","100.433","0.002","90","","1137.64","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br N2 -","- C13 H8 Br N2 -","- C52 H32 Br4 N8 -","4","1","","Qin, Wen-Bing; Zhu, Jia-Yi; Kong, Yu-Bo; Bao, Yun-Hong; Chen, Zheng-Wang; Liu, Liang-Xian","Metal-free (Boc)2O-mediated C4-selective direct indolation of pyridines using TEMPO.","Organic & biomolecular chemistry","2014","12","24","4252","4259","10.1039/c4ob00356j","","","0.71073","MoKα","","0.12","0.0464","","","0.1088","0.1351","","","","","","0.985","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153779","5.4783","0.0005","6.9229","0.0006","18.7771","0.0017","90","","95.059","0.003","90","","709.36","0.11","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(Diethylphosphino)-1-(4-trifluoromethylphenyl)-1H-1,2,3-triazole","","- C13 H15 F3 N3 P -","- C13 H15 F3 N3 P -","- C26 H30 F6 N6 P2 -","2","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0523","0.0427","","","0.0979","0.1029","","","","","","1.111","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153780","10.0928","0.0003","10.6178","0.0003","17.3125","0.0005","90","","98.415","0.002","90","","1835.29","0.09","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-(diphenylphosphino)-1H-1,2,3-triazole","","- C21 H18 N3 P -","- C21 H18 N3 P -","- C84 H72 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0531","0.0375","","","0.0942","0.105","","","","","","1.039","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153781","5.7216","0.0002","12.5095","0.0005","12.5281","0.0005","86.643","0.002","79.834","0.002","82.749","0.002","874.95","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Bromophenyl)-4-(diphenylphosphino)-1H-1,2,3-triazole","","- C20 H15 Br N3 P -","- C20 H15 Br N3 P -","- C40 H30 Br2 N6 P2 -","2","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0368","0.0271","","","0.0597","0.063","","","","","","1.033","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153782","15.819","0.0003","7.2629","0.0001","13.1199","0.0002","90","","94.554","0.001","90","","1502.61","0.04","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Anisyl)-4-(diethylphosphino-borane)-1H-1,2,3-triazole","","- C13 H21 B N3 O P -","- C13 H21 B N3 O P -","- C52 H84 B4 N12 O4 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0626","0.0434","","","0.1236","0.1454","","","","","","1.047","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153783","7.6993","0.0002","10.2355","0.0003","11.5727","0.0005","105.331","0.002","104.973","0.002","107.292","0.002","781.55","0.05","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Bromophenyl)-4-(diethylphosphino-borane)-1H-1,2,3-triazole","","- C12 H18 B Br N3 P -","- C12 H18 B Br N3 P -","- C24 H36 B2 Br2 N6 P2 -","2","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0616","0.0429","","","0.1126","0.1234","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153784","11.4175","0.0003","15.1163","0.0004","23.4211","0.0007","90","","98.935","0.002","90","","3993.2","0.19","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 B Br N3 P -","- C20 H18 B Br N3 P -","- C160 H144 B8 Br8 N24 P8 -","8","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0584","0.0385","","","0.0936","0.1037","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153785","11.0128","0.0002","7.8943","0.0002","24.9976","0.0005","90","","90","","90","","2173.25","0.08","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(Diethylphosphino-borane)-1-([2.2]-paracyclophan-4-yl)-1H-1,2,3-triazole","","- C22 H29 B N3 P -","- C22 H29 B N3 P -","- C88 H116 B4 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0509","0.0431","","","0.1136","0.1195","","","","","","1.058","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153786","9.85","0.0002","11.141","0.0002","14.4209","0.0003","90","","90","","90","","1582.53","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-1-Benzyl-4-(methyl-tert-butylphosphino-borane)-1H-1,2,3-triazole","","- C14 H23 B N3 P -","- C14 H23 B N3 P -","- C56 H92 B4 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0396","0.0338","","","0.0799","0.0832","","","","","","1.076","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153787","10.2656","0.0005","20.674","0.001","9.0479","0.0004","90","","100.041","0.002","90","","1890.83","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorobis[1-benzyl-4-(di-tert-butylphosphino)-1H-1,2,3-triazole]palladium(II)","","- C34 H52 Cl2 N6 P2 Pd -","- C34 H52 Cl2 N6 P2 Pd -","- C68 H104 Cl4 N12 P4 Pd2 -","2","0.5","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0221","0.0196","","","0.0508","0.0531","","","","","","1.053","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153788","9.2345","0.0001","10.4403","0.0001","15.8938","0.0002","90","","90","","90","","1532.34","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 N4 O3 -","- C12 H22 N4 O3 -","- C48 H88 N16 O12 -","4","1","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0265","0.0261","","","0.0674","0.0677","","","","","","1.069","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153789","10.243","0.0002","10.7344","0.0002","17.94","0.0004","90","","97.2641","0.0019","90","","1956.72","0.07","150.06","0.15","150.06","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 N5 O4 -","- C16 H29 N5 O4 -","- C64 H116 N20 O16 -","4","1","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","0.7107","MoKα","","0.0587","0.0415","","","0.0888","0.0987","","","","","","1.017","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153790","11.2952","0.0007","12.9363","0.0009","18.6722","0.0012","108.58","0.003","96.72","0.003","104.173","0.003","2450.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 N6 O5 -","- C20 H36 N6 O5 -","- C80 H144 N24 O20 -","4","2","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0733","0.069","","","0.1838","0.1897","","","","","","1.097","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153791","13.6156","0.0004","10.7583","0.0003","15.9339","0.0005","90","","114.869","0.001","90","","2117.58","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 N6 O5 -","- C17 H30 N6 O5 -","- C68 H120 N24 O20 -","4","1","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0394","0.0376","","","0.0981","0.0995","","","","","","1.059","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153792","11.3347","0.0004","16.1397","0.0005","16.8748","0.0006","62.527","0.002","85.251","0.002","81.446","0.002","2708.1","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H39 N7 O7 -","- C21 H39 N7 O7 -","- C84 H156 N28 O28 -","4","2","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0533","0.0438","","","0.1158","0.1245","","","","","","1.046","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153793","21.6553","0.0009","21.6553","0.0009","9.8316","0.0006","90","","90","","120","","3992.9","0.3","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C22 H16 Cl N5 O2 -","- C22 H16 Cl N5 O2 -","- C132 H96 Cl6 N30 O12 -","6","1","","Huang, Xiao-Fei; Zhang, Ya-Fei; Qi, Zheng-Hang; Li, Nai-Kai; Geng, Zhi-Cong; Li, Kun; Wang, Xing-Wang","Organocatalytic enantioselective construction of multi-functionalized spiro oxindole dienes.","Organic & biomolecular chemistry","2014","12","25","4372","4385","10.1039/c4ob00545g","","","0.71073","MoKα","","0.0659","0.0527","","","0.1345","0.1417","","","","","","0.995","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153794","8.103","0.008","12.083","0.012","11.663","0.011","90","","101.473","0.008","90","","1119.1","1.9","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 F6 N5 P -","- C5 H10 F6 N5 P -","- C20 H40 F24 N20 P4 -","4","1","","Kitamura, Mitsuru; Kato, So; Yano, Masakazu; Tashiro, Norifumi; Shiratake, Yuichiro; Sando, Mitsuyoshi; Okauchi, Tatsuo","A reagent for safe and efficient diazo-transfer to primary amines: 2-azido-1,3-dimethylimidazolinium hexafluorophosphate.","Organic & biomolecular chemistry","2014","12","25","4397","4406","10.1039/c4ob00515e","","","0.71075","MoKα","","","0.1511","","","","0.4401","","","","","","3.752","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153795","12.9282","0.0005","13.3172","0.0006","6.654","0.0003","90","","102.29","0.001","90","","1119.35","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","1","","Chen, Jianbin; Natte, Kishore; Spannenberg, Anke; Neumann, Helfried; Beller, Matthias; Wu, Xiao-Feng","Efficient palladium-catalyzed double carbonylation of o-dibromobenzenes: synthesis of thalidomide.","Organic & biomolecular chemistry","2014","12","30","5578","5581","10.1039/c4ob00796d","","","0.71073","MoKα","","0.0641","0.0432","","","0.1058","0.1185","","","","","","1.025","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153796","8.1246","0.0003","9.2109","0.0003","14.8139","0.0005","90","","90","","90","","1108.6","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F N2 O2 -","- C11 H13 F N2 O2 -","- C44 H52 F4 N8 O8 -","4","1","","Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.","Asymmetric synthesis of tetrahydroquinolines through supramolecular organocatalysis.","Organic & biomolecular chemistry","2014","12","25","4300","4304","10.1039/c4ob00570h","","","1.54184","CuKα","","0.0497","0.0467","","","0.1298","0.134","","","","","","1.032","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153797","10.393","0.003","26.134","0.007","7.767","0.002","90","","109.958","0.013","90","","1982.9","0.9","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 O6 -","- C22 H18 N4 O6 -","- C88 H72 N16 O24 -","4","1","","Sharma, Sanyog; Hundal, Maninder Singh; Walia, Amandeep; Vanita, Vanita; Hundal, Geeta","Nanomolar fluorogenic detection of Al(iii) by a series of Schiff bases in an aqueous system and their application in cell imaging.","Organic & biomolecular chemistry","2014","12","25","4445","4453","10.1039/c4ob00329b","","","0.71073","MoKα","","0.1365","0.0542","","","0.1236","0.1667","","","","","","0.91","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153798","16.1494","0.0015","16.1494","0.0015","15.1345","0.0014","90","","90","","120","","3418.3","0.5","296","2","296","2","","","","","","","","6","P 65","P 65","170","","","","- C21 H24 F N O2 S -","- C21 H24 F N O2 S -","- C126 H144 F6 N6 O12 S6 -","6","1","","Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Highly efficient and generalized asymmetric synthesis of quaternary stereogenic carbon-containing β-amino indanones/indanoles via Mannich-type additions between 1-indanones and N-tert-butanesulfinylketimines.","Organic & biomolecular chemistry","2014","12","26","4620","4627","10.1039/c4ob00489b","","","0.71073","MoKα","","0.0402","0.0357","","","0.0983","0.1016","","","","","","1.035","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153799","12.6638","0.0017","16.757","0.002","22.426","0.003","90","","91.22","0.003","90","","4757.9","1.1","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N5 -","- C27 H25 N5 -","- C216 H200 N40 -","8","2","","Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming","DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes.","Organic & biomolecular chemistry","2014","12","26","4628","4632","10.1039/c4ob00012a","","","0.71073","MoKα","","0.0816","0.0655","","","0.1325","0.1413","","","","","","1.116","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153800","13.772","0.0012","27.468","0.002","13.3251","0.0013","90","","90","","90","","5040.7","0.8","298","2","298","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C28 H28 N3 O2 -","- C28 H28 N3 O2 -","- C224 H224 N24 O16 -","8","","","Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming","DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes.","Organic & biomolecular chemistry","2014","12","26","4628","4632","10.1039/c4ob00012a","","","0.71073","MoKα","","0.1451","0.0729","","","0.1624","0.1812","","","","","","1.099","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153801","10.7869","0.0004","21.5015","0.0008","8.1152","0.0005","90","","110.098","0.001","90","","1767.58","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Saravanan, Thangavelu; Jana, Sushital; Chadha, Anju","Utilization of whole cell mediated deracemization in a chemoenzymatic synthesis of enantiomerically enriched polycyclic chromeno[4,3-b] pyrrolidines.","Organic & biomolecular chemistry","2014","12","26","4682","4690","10.1039/c4ob00615a","","","0.71073","MoKα","","0.0704","0.0463","","","0.1119","0.1318","","","","","","1.078","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153802","8.0279","0.0007","10.048","0.0008","11.5774","0.0009","111.22","0.003","99.322","0.003","101.074","0.003","826.55","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Saravanan, Thangavelu; Jana, Sushital; Chadha, Anju","Utilization of whole cell mediated deracemization in a chemoenzymatic synthesis of enantiomerically enriched polycyclic chromeno[4,3-b] pyrrolidines.","Organic & biomolecular chemistry","2014","12","26","4682","4690","10.1039/c4ob00615a","","","0.71073","MoKα","","0.0586","0.0376","","","0.0903","0.1072","","","","","","1.071","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153803","5.2851","0.0001","15.1376","0.0004","8.295","0.0002","90","","94.61","0.001","90","","661.48","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Clark, J. Stephen; Labre, Flavien; Thomas, Lynne H.","Concise synthesis of the C-1-C-12 fragment of amphidinolides T1-T5.","Organic & biomolecular chemistry","2011","9","13","4823","4830","10.1039/c1ob05130j","","","0.71073","MoKα","","0.0577","0.0392","","","","0.0866","","","","","","0.939","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153804","16.9504","0.0014","11.2305","0.001","9.1731","0.0009","90","","103.305","0.01","90","","1699.3","0.3","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","King, Frank D.; Aliev, Abil; Caddick, Stephen; Tocher, Derek","Cyclisation reactions of N-cinnamoyl-9-aminoanthracenes.","Organic & biomolecular chemistry","2014","12","20","3211","3221","10.1039/c4ob00411f","","","1.54184","CuKα","","0.0603","0.0582","","","0.1438","0.1464","","","","","","1.029","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153805","8.9866","0.0003","9.162","0.0003","13.9462","0.0005","93.732","0.003","95.624","0.003","115.839","0.004","1021.01","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C28.5 H21 N O -","- C28.5 H21 N O -","- C57 H42 N2 O2 -","2","1","","King, Frank D.; Aliev, Abil; Caddick, Stephen; Tocher, Derek","Cyclisation reactions of N-cinnamoyl-9-aminoanthracenes.","Organic & biomolecular chemistry","2014","12","20","3211","3221","10.1039/c4ob00411f","","","1.54184","CuKα","","0.0628","0.0585","","","0.1585","0.1632","","","","","","1.058","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153806","4.896","","11.351","","21.44","","90","","90","","90","","1191.52","","97","2","97","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.0407","0.035","","","0.0749","0.0778","","","","","","1.054","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153807","21.18","0.003","3.9011","0.0006","16.838","0.002","90","","94.004","0.009","90","","1387.8","0.3","97","2","97","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.0955","0.0529","","","0.1185","0.139","","","","","","0.973","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153808","14.514","0.003","8.703","0.0019","21.592","0.005","90","","109.575","0.008","90","","2569.8","1","97","2","97","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C128 H80 Cl8 N8 O16 -","8","2","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.1221","0.0743","","","0.1808","0.2146","","","","","","1.033","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153809","5.3737","0.0008","10.8985","0.0017","11.5417","0.0018","98.268","0.005","99.008","0.005","100.544","0.005","645.9","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C32 H20 Cl2 N2 O4 -","2","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.0602","0.0551","","","0.1913","0.1984","","","","","","1.056","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153810","11.728","0.004","16.825","0.005","7.205","0.003","90","","104.87","0.02","90","","1374.1","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.1581","0.0822","","","0.1796","0.2125","","","","","","0.973","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153811","10.318","0.0011","12.8037","0.0014","10.6038","0.0011","90","","112.706","0.001","90","","1292.3","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping","Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.","Organic & biomolecular chemistry","2014","12","20","3191","3200","10.1039/c4ob00126e","","","0.71073","MoKα","","0.0553","0.0405","","","0.1058","0.1153","","","","","","1.02","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153812","7.7674","0.0011","9.4798","0.0013","9.7608","0.0014","103.452","0.002","95.382","0.002","93.343","0.002","693.53","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C32 H32 Br2 N2 O4 -","2","1","","Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping","Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.","Organic & biomolecular chemistry","2014","12","20","3191","3200","10.1039/c4ob00126e","","","0.71073","MoKα","","0.0755","0.0428","","","0.0837","0.0956","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153813","9.1314","0.0013","12.4725","0.0018","12.8711","0.0018","90","","90","","90","","1465.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping","Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.","Organic & biomolecular chemistry","2014","12","20","3191","3200","10.1039/c4ob00126e","","","0.71073","MoKα","","0.0948","0.0462","","","0.0796","0.0969","","","","","","0.975","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153814","4.933","0.0002","15.0363","0.0007","18.3873","0.0009","90","","91.938","0.005","90","","1363.08","0.11","100","1","100","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0582","0.0445","","","0.1016","0.109","","","","","","1.072","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153815","4.9093","0.0005","14.694","0.002","19.032","0.002","90","","90","","90","","1372.9","0.3","290","1","290","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.1205","0.0669","","","0.1516","0.1926","","","","","","0.863","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153816","27.7895","0.0008","27.7895","0.0008","8.9482","0.0003","90","","90","","120","","5984.5","0.3","120","1","120","1","","","","","","","see text","4","R -3 :H","-R 3","148","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C306 H252 N36 O18 -","18","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0679","0.0509","","","0.1518","0.1644","","","","","","1.083","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153817","5.4152","0.0004","15.1404","0.0014","15.678","0.0011","90","","90","","90","","1285.41","0.18","120","1","120","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.1538","0.0709","","","0.1005","0.1304","","","","","","0.915","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153818","4.0054","0.0004","15.3131","0.0018","9.7743","0.0008","90","","95.953","0.01","90","","596.27","0.1","290","1","290","1","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C32 H24 N4 O2 -","2","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0965","0.0589","","","0.1151","0.1391","","","","","","0.998","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153819","4.9825","0.0003","14.7961","0.0009","15.1704","0.0008","90","","92.397","0.005","90","","1117.41","0.11","290","1","290","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C60 H40 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0793","0.0661","","","0.1844","0.2007","","","","","","1.073","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153820","19.347","0.003","10.2965","0.0008","12.7704","0.0019","90","","105.329","0.015","90","","2453.4","0.6","200","","200","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","4-(Benzyloxy)-8-(methyl)-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]- 7,8-dihydrofuro[2,3-e]indol","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","","El-Deeb, Ibrahim M; Rose, Faith J.; Healy, Peter C.; von Itzstein, Mark","A versatile synthesis of ""tafuramycin A"": a potent anticancer and parasite attenuating agent.","Organic & biomolecular chemistry","2014","12","24","4260","4264","10.1039/c4ob00842a","","x-ray","0.7107","MoKα","","0.287","0.0922","","","0.1759","0.2699","","","","","","0.957","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153821","8.3045","0.0003","10.2673","0.0004","12.5079","0.0005","86.717","0.001","86.377","0.001","82.051","0.001","1052.85","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 I O4 S -","- C22 H19 I O4 S -","- C44 H38 I2 O8 S2 -","2","1","","Hamnett, David J.; Moran, Wesley J.","Improving alkynyl(aryl)iodonium salts: 2-anisyl as a superior aryl group.","Organic & biomolecular chemistry","2014","12","24","4156","4162","10.1039/c4ob00556b","","","0.71073","","","0.0235","0.0203","","","0.0486","0.0507","","","","","","1.087","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153822","21.6473","0.0008","7.6201","0.0003","13.154","0.0004","90","","123.262","0.004","90","","1814.34","0.14","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H22 Cl Li N2 O3 -","- C18 H22 Cl Li N2 O3 -","- C72 H88 Cl4 Li4 N8 O12 -","4","1","","Ziach, K.; Kulesza, A.; Jurczak, J.","Fast imine equilibration and its consequences for the evaluation of dynamic combinatorial libraries.","Organic & biomolecular chemistry","2014","12","23","3827","3830","10.1039/c4ob00507d","","","0.71073","MoKα","","0.0299","0.0233","","","0.0466","0.0474","","","","","","0.933","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153823","10.5637","0.0003","13.2734","0.0003","20.6274","0.0005","90","","90","","90","","2892.3","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 O5 -","- C30 H54 O5 -","- C120 H216 O20 -","4","1","","Yu, Jin-Hai; Shen, Yu; Liu, Hong-Bing; Leng, Ying; Zhang, Hua; Yue, Jian-Min","Dammarane-type triterpenoids as 11β-HSD1 inhibitors from Homonoia riparia.","Organic & biomolecular chemistry","2014","12","26","4716","4722","10.1039/c4ob00807c","","","1.54178","CuKα","","0.0674","0.0606","","","0.1672","0.1746","","","","","","1.037","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153827","20.3874","0.0008","6.9055","0.0003","12.3088","0.0005","90","","90","","90","","1732.9","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H20 I N O -","- C19 H20 I N O -","- C76 H80 I4 N4 O4 -","4","0.5","","Han, Qingxin; Shi, Zhaohua; Tang, Xiaoliang; Yang, Lizi; Mou, Zuolin; Li, Jing; Shi, Jinmin; Chen, Chunyang; Liu, Wei; Yang, Huan; Liu, Weisheng","A colorimetric and ratiometric fluorescent probe for distinguishing cysteine from biothiols in water and living cells.","Organic & biomolecular chemistry","2014","12","27","5023","5030","10.1039/c4ob00463a","","","0.71073","MoKα","","0.0348","0.0311","","","0.1247","0.1328","","","","","","1.013","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153828","8.6589","0.0007","10.1791","0.0006","15.9766","0.0012","90","","90","","90","","1408.17","0.18","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Zhu, Xu; Chiba, Shunsuke","TEMPO-mediated allylic C-H amination with hydrazones.","Organic & biomolecular chemistry","2014","12","26","4567","4570","10.1039/c4ob00839a","","","0.71073","MoKα","","0.0458","0.0401","","","0.0991","0.1029","","","","","","1.044","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153829","8.7331","0.0006","14.7237","0.0011","11.9048","0.0009","90","","92.545","0.003","90","","1529.25","0.19","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 -","- C19 H20 N2 -","- C76 H80 N8 -","4","1","","Zhu, Xu; Chiba, Shunsuke","TEMPO-mediated allylic C-H amination with hydrazones.","Organic & biomolecular chemistry","2014","12","26","4567","4570","10.1039/c4ob00839a","","","0.71073","MoKα","","0.0719","0.0453","","","0.1213","0.1448","","","","","","1.068","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153830","20.666","0.0016","9.5448","0.0006","20.3329","0.0018","90","","117.451","0.005","90","","3559.1","0.5","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C184 H160 N16 -","8","2","","Zhu, Xu; Chiba, Shunsuke","TEMPO-mediated allylic C-H amination with hydrazones.","Organic & biomolecular chemistry","2014","12","26","4567","4570","10.1039/c4ob00839a","","","0.71073","","","0.0946","0.0517","","","0.1089","0.1293","","","","","","0.998","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153831","9.401","0.004","9.421","0.004","10.588","0.005","108.301","0.01","93.15","0.009","94.391","0.01","884.6","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H32 O -","- C20 H32 O -","- C40 H64 O2 -","2","1","","Wang, Xian-Lei; Lu, Yun-Yu; Wang, Jie; Wang, Xuan; Yao, He-Quan; Lin, Guo-Qiang; Sun, Bing-Feng","A novel synthetic approach to the bicyclo[5.3.1]undecan-11-one framework of vinigrol.","Organic & biomolecular chemistry","2014","12","22","3562","3566","10.1039/c4ob00046c","","","0.71073","MoKα","","0.1161","0.0859","","","0.2026","0.2205","","","","","","1.091","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153832","10.6542","0.0002","20.3405","0.0004","16.8979","0.0004","90","","97.027","0.002","90","","3634.47","0.13","120","","120","","","","101","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C144 H156 Cl4 Hg4 O16 S16 -","4","2","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.54184","CuKα","","0.0607","0.0509","","0.1324","0.1192","0.1324","","","","","","0.9277","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153833","39.4696","0.0005","39.4696","0.0005","21.8104","0.0004","90","","90","","90","","33977.3","0.9","120","","120","","","","101","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C1152 H1248 Cl32 Hg32 O128 S128 -","32","2","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.54184","CuKα","","0.0947","0.0786","","0.2476","0.2225","0.2475","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153834","18.1361","0.0009","11.0596","0.0005","20.1127","0.0009","90","","115.888","0.006","90","","3629.3","0.3","180","","180","","","","101","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C144 H156 Cl4 Hg4 O16 S16 -","4","1","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.5418","CuKα","","0.12","0.1076","","0.3006","0.2934","0.3006","","","","","","0.989","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153835","23.832","0.002","11.4009","0.001","7.7827","0.0007","90","","95.137","0.002","90","","2106.1","0.3","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Xia, Likai; Cai, Hongyun; Lee, Yong Rok","Catalyst-controlled regio- and stereoselective synthesis of diverse 12H-6,12-methanodibenzo[d,g][1,3]dioxocines.","Organic & biomolecular chemistry","2014","12","25","4386","4396","10.1039/c4ob00691g","","","0.71073","MoKα","","0.098","0.0568","","","0.1256","0.1677","","","","","","0.993","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153836","16.2287","0.0009","6.0601","0.0004","18.4712","0.001","90","","91.608","0.001","90","","1815.88","0.18","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 O5 -","- C23 H18 O5 -","- C92 H72 O20 -","4","1","","Xia, Likai; Cai, Hongyun; Lee, Yong Rok","Catalyst-controlled regio- and stereoselective synthesis of diverse 12H-6,12-methanodibenzo[d,g][1,3]dioxocines.","Organic & biomolecular chemistry","2014","12","25","4386","4396","10.1039/c4ob00691g","","","0.71073","MoKα","","0.1133","0.0518","","","0.1109","0.1623","","","","","","1.01","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153837","5.5701","0.0004","9.012","0.0006","33.683","0.002","90","","90","","90","","1690.81","0.19","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Su, Cunxiang; Xie, Ying; Pan, Hongjie; Liu, Mao; Tian, Hua; Shi, Yian","Organocatalytic synthesis of optically active β-branched α-amino esters via asymmetric biomimetic transamination.","Organic & biomolecular chemistry","2014","12","31","5856","5860","10.1039/c4ob00684d","","","0.71073","MoKα","","0.0671","0.0531","","","0.1152","0.1257","","","","","","1.116","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153838","15.9577","0.0007","6.3713","0.0003","17.8868","0.0008","90","","97.0337","0.0015","90","","1804.89","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C84 H84 N4 O8 S4 -","4","1","","Brockmeyer, Fabian; Schoemaker, Robin; Schmidtmann, Marc; Martens, Jürgen","Multicomponent reaction for the first synthesis of 2,2-dialkyl- and 2-alkyl-2-aralkyl-5,6-diaryl-2H-1,3-thiazines as scaffolds for various 3,4-dihydro-2H-1,3-thiazine derivatives.","Organic & biomolecular chemistry","2014","12","28","5168","5181","10.1039/c4ob00866a","","","0.71073","MoKα","","0.0394","0.0325","","","0.1245","0.1351","","","","","","1.124","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153839","9.8941","0.0017","19.167","0.003","14.2","0.002","90","","102.8","0.003","90","","2626","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N2 O2 S -","- C33 H26 N2 O2 S -","- C132 H104 N8 O8 S4 -","4","1","","Zhu, Yu; Hong, Jun-Jie; Zhou, Yun-Bin; Xiao, Yu-Wei; Lin, Min; Zhan, Zhuang-Ping","Selective synthesis of 4-(sulfonyl)-methyl-1H-pyrazoles and (E)-4,5-dihydro-1H-pyrazoles from N-allenic sulfonylhydrazones.","Organic & biomolecular chemistry","2014","12","23","3797","3801","10.1039/c4ob00550c","","","0.71073","MoKα","","0.0679","0.0606","","","0.1466","0.1512","","","","","","1.142","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153840","6.4719","0.0005","8.7411","0.0006","10.9321","0.0008","110.196","0.004","95.635","0.004","101.286","0.004","559.89","0.07","193","2","193","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C24 H32 O8 -","2","1","","Ruiz, Jérémy; Mallet-Ladeira, Sonia; Maynadier, Marjorie; Vial, Henri; André-Barrès, Christiane","Design, synthesis and evaluation of new tricyclic endoperoxides as potential antiplasmodial agents.","Organic & biomolecular chemistry","2014","12","28","5212","5221","10.1039/c4ob00787e","","x-ray","0.71073","MoKα","","0.051","0.0379","","","0.0961","0.1055","","","","","","1.036","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153841","6.5048","0.0005","20.2812","0.0016","8.3695","0.0006","90","","99.728","0.004","90","","1088.27","0.14","193","2","193","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","1","","Ruiz, Jérémy; Mallet-Ladeira, Sonia; Maynadier, Marjorie; Vial, Henri; André-Barrès, Christiane","Design, synthesis and evaluation of new tricyclic endoperoxides as potential antiplasmodial agents.","Organic & biomolecular chemistry","2014","12","28","5212","5221","10.1039/c4ob00787e","","x-ray","0.71073","MoKα","","0.056","0.0372","","","0.0826","0.0908","","","","","","1.027","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153842","10.8379","0.0002","7.0007","0.0001","18.8456","0.0003","90","","92.548","0.001","90","","1428.46","0.04","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Lim, Zelong; Duggan, Peter J.; Meyer, Adam G.; Tuck, Kellie L.","An iterative in silico and modular synthetic approach to aqueous soluble tercyclic α-helix mimetics.","Organic & biomolecular chemistry","2014","12","25","4432","4444","10.1039/c4ob00647j","","","0.71073","MoKα","","0.0418","0.0369","","","0.0964","0.1","","","","","","1.042","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153843","12.9066","0.0005","7.1171","0.0002","15.1189","0.0006","90","","101.461","0.002","90","","1361.09","0.09","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Lim, Zelong; Duggan, Peter J.; Meyer, Adam G.; Tuck, Kellie L.","An iterative in silico and modular synthetic approach to aqueous soluble tercyclic α-helix mimetics.","Organic & biomolecular chemistry","2014","12","25","4432","4444","10.1039/c4ob00647j","","","0.71073","MoKα","","0.0471","0.0386","","","0.1048","0.1118","","","","","","1.036","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153845","8.4371","0.0003","8.7423","0.0003","14.5956","0.0007","105.766","0.003","98.497","0.004","99.551","0.003","1000.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-(1-(5-oxo-1-phenyl-3-propyl-2-thioxoimidazolidin-4-yl)ethylidene)- hydrazinecarboxamide x ethanol","","- C17 H25 N5 O3 S -","- C17 H25 N5 O3 S -","- C34 H50 N10 O6 S2 -","2","1","","Attanasi, Orazio A.; Favi, Gianfranco; Giorgi, Gianluca; Majer, Roberta; Perrulli, Francesca Romana; Santeusanio, Stefania","Access to novel imidazo[1,5-a]pyrazine scaffolds by the combined use of a three-component reaction and a base-assisted intramolecular cyclization.","Organic & biomolecular chemistry","2014","12","26","4610","4619","10.1039/c4ob00676c","","","0.71073","MoKα","","0.0655","0.0429","","","0.1175","0.1247","","","","","","1.006","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153846","6.4597","0.0004","9.7895","0.0006","10.0741","0.0005","70.729","0.002","76.156","0.002","79.307","0.002","579.93","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P 1","P 1","1","","","","- C25 H25 Br O5 -","- C25 H25 Br O5 -","- C25 H25 Br O5 -","1","1","","Kamlar, M.; Hybelbauerová, S; Císařová, I; Veselý, J","Organocatalytic enantioselective allylic alkylation of MBH carbonates with β-keto esters.","Organic & biomolecular chemistry","2014","12","28","5071","5076","10.1039/c4ob00682h","","","0.71073","MoKα","","0.0285","0.0252","","","0.0506","0.0517","","","","","","1.045","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153847","9.6739","0.0003","8.7077","0.0003","12.2435","0.0004","90","","99.661","0.001","90","","1016.73","0.06","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21 1","P 2yb","4","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C48 H52 O8 -","2","1","","Kamlar, M.; Hybelbauerová, S; Císařová, I; Veselý, J","Organocatalytic enantioselective allylic alkylation of MBH carbonates with β-keto esters.","Organic & biomolecular chemistry","2014","12","28","5071","5076","10.1039/c4ob00682h","","","0.71073","MoKα","","0.0408","0.0366","","","0.0919","0.0943","","","","","","1.054","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153848","5.6964","0.0003","12.6163","0.0005","12.8565","0.0007","90","","90","","90","","923.96","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","","Pratap Reddy Gajulapalli, V.; Vinayagam, Poopathy; Kesavan, Venkitasamy","Organocatalytic asymmetric decarboxylative cyanomethylation of isatins using l-proline derived bifunctional thiourea.","Organic & biomolecular chemistry","2014","12","24","4186","4191","10.1039/c4ob00271g","","","0.71073","MoKα","","0.0337","0.031","","","0.0847","0.0863","","","","","","1.081","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153849","21.6481","0.0007","18.688","0.0006","24.7513","0.0008","90","","111.211","0.0014","90","","9335","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[2]pseudorotaxane Ph2IMPh-COOMe BF4","","","- C49 H54 B F4 N3 O10 -","- C49 H54 B F4 N3 O10 -","- C392 H432 B8 F32 N24 O80 -","8","2","","Farahani, Nasim; Zhu, Kelong; Noujeim, Nadim; Loeb, Stephen J.","[2]Pseudorotaxane formation between rigid Y-shaped 2,4,5-triphenylimidazolium axles and [24]crown-8 ether wheels.","Organic & biomolecular chemistry","2014","12","27","4824","4827","10.1039/c4ob00975d","","","1.54178","","","0.0692","0.0577","","","0.1439","0.1557","","","","","","1.01","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153850","18.6832","0.0015","9.6574","0.0008","22.636","0.003","90","","108.894","0.003","90","","3864.2","0.7","199","2","199","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 O7 -","- C23 H18 O7 -","- C184 H144 O56 -","8","1","","Mehrparvar, Saber; Balalaie, Saeed; Rabbanizadeh, Mahnaz; Rominger, Frank; Ghabraie, Elmira","Synthesis of functionalized chromones through sequential reactions in aqueous media.","Organic & biomolecular chemistry","2014","12","30","5757","5765","10.1039/c4ob00618f","","","0.71073","MoKα","","0.0714","0.0611","","","0.1502","0.1583","","","","","","1.054","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153851","7.0639","0.0016","12.459","0.003","14.36","0.003","90","","99.692","0.002","90","","1245.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3aE0","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Yamamoto, Hiroaki; Ohkubo, Kei; Akimoto, Seiji; Fukuzumi, Shunichi; Tsuda, Akihiko","Control of reaction pathways in the photochemical reaction of a quinone with tetramethylethylene by metal binding.","Organic & biomolecular chemistry","2014","12","36","7004","7017","10.1039/c4ob00659c","","","0.71073","MoKα","","0.0564","0.0455","","","0.1584","0.172","","","","","","1.227","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153852","9.4849","0.0008","18.4276","0.0016","19.2588","0.0017","90","","92.1781","0.0015","90","","3363.7","0.5","110","2","110","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C34 H28 F12 N2 O2 S2 -","- C34 H28 F12 N2 O2 S2 -","- C136 H112 F48 N8 O8 S8 -","4","1","","Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.","Arylpyrrole oligomers as tunable anion receptors.","Organic & biomolecular chemistry","2014","12","29","5492","5499","10.1039/c4ob00357h","","","0.71073","MoKα","","0.0571","0.0435","","","0.1083","0.1182","","","","","","1.088","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153853","17.1963","0.0019","22.354","0.003","24.519","0.003","90","","97.389","0.002","90","","9347","2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H55 F12 N3 O2 -","- C48 H55 F12 N3 O2 -","- C384 H440 F96 N24 O16 -","8","2","","Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.","Arylpyrrole oligomers as tunable anion receptors.","Organic & biomolecular chemistry","2014","12","29","5492","5499","10.1039/c4ob00357h","","","0.710747","MoKα","","0.2555","0.1229","","","0.2082","0.2581","","","","","","1.07","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153854","11.6001","0.0009","11.9543","0.0008","38.07","0.002","92.117","0.005","95.202","0.006","109.608","0.007","4939.8","0.6","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C116 H130 Br N7 O11 -","- C116 H130 Br N7 O11 -","- C232 H260 Br2 N14 O22 -","2","1","","White, Nicholas G.; Colaço, Ana R; Marques, Igor; Félix, Vítor; Beer, Paul D.","Halide selective anion recognition by an amide-triazolium axle containing [2]rotaxane.","Organic & biomolecular chemistry","2014","12","27","4924","4931","10.1039/c4ob00801d","","","0.6889","synchrotron","","0.1692","0.1407","","0.3363","0.3239","0.3363","","","","","","1.0893","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153855","8.573","0.006","11.482","0.007","12.279","0.009","98.521","0.011","109.56","0.011","92.004","0.007","1121.7","1.3","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C44 H46 N6 O10 -","2","1","","Pandey, Shashi; Kumar, S. Vinod; Kant, Ruchir; Chauhan, Prem M. S.","Base mediated 7-exo-dig intramolecular cyclization of Ugi-propargyl precursors: a highly efficient and regioselective synthetic approach toward diverse 1,4-benzoxazepine-5(2H)-ones.","Organic & biomolecular chemistry","2014","12","29","5346","5350","10.1039/c4ob00793j","","","0.71075","MoKα","","0.0894","0.0524","","","0.139","0.1648","","","","","","1.008","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153856","14.28","0.004","21.368","0.005","15.182","0.004","90","","98.213","0.004","90","","4585","2","293","2","293","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O3 -","- C26 H26 N2 O3 -","- C208 H208 N16 O24 -","8","2","","Pandey, Shashi; Kumar, S. Vinod; Kant, Ruchir; Chauhan, Prem M. S.","Base mediated 7-exo-dig intramolecular cyclization of Ugi-propargyl precursors: a highly efficient and regioselective synthetic approach toward diverse 1,4-benzoxazepine-5(2H)-ones.","Organic & biomolecular chemistry","2014","12","29","5346","5350","10.1039/c4ob00793j","","","0.71075","MoKα","","0.082","0.0629","","","0.146","0.1587","","","","","","1.101","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153857","8.534","0.002","15.242","0.004","16.014","0.004","90","","90","","90","","2083","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 5-(tert-butylamino)-2-(4-nitrophenyl)-4-(thiophene-2-carbonyl) furan-3-carboxylate","","- C21 H20 N2 O6 S -","- C21 H20 N2 O6 S -","- C84 H80 N8 O24 S4 -","4","1","","Huynh, Thi Ngoc Tram; Retailleau, Pascal; Denhez, Clément; Nguyen, Kim Phi Phung; Guillaume, Dom","Regioselective synthesis of 3,4,5-trisubstituted 2-aminofurans.","Organic & biomolecular chemistry","2014","12","28","5098","5101","10.1039/c4ob01037j","","","0.7107","MoKα","","0.0463","0.0347","","","0.08","0.0871","","","","","","1.047","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153858","10.104","0.002","10.104","0.002","17.905","0.004","90","","90","","120","","1583","0.6","293","2","293","2","","","","","","","","5","P 31","P 31","144","","methyl 2-(tert-butylamino)-5-(4-nitrophenyl)-4- (thiophene-2-carbonyl)furan-3-carboxylate","","- C21 H20 N2 O6 S -","- C21 H20 N2 O6 S -","- C63 H60 N6 O18 S3 -","3","1","","Huynh, Thi Ngoc Tram; Retailleau, Pascal; Denhez, Clément; Nguyen, Kim Phi Phung; Guillaume, Dom","Regioselective synthesis of 3,4,5-trisubstituted 2-aminofurans.","Organic & biomolecular chemistry","2014","12","28","5098","5101","10.1039/c4ob01037j","","","0.7107","MoKα","","0.0522","0.0438","","","0.107","0.1136","","","","","","1.005","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153859","13.476","0.005","6.865","0.003","17.826","0.007","90","","104.273","0.007","90","","1598.2","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl N2 O2 -","- C16 H15 Cl N2 O2 -","- C64 H60 Cl4 N8 O8 -","4","1","","Xin, Xiaoqing; Liu, Xu; Zhang, Dingyuan; Zhang, Rui; Liang, Yongjiu; Han, Fushe; Dong, Dewen","Divergent synthesis of 2,3-dihydro-1H-pyrroles, 3-alkyl-1H-pyrroles and 3-alkenyl-1H-pyrroles from 2,4-pentadienenitriles and isocyanides.","Organic & biomolecular chemistry","2014","12","29","5477","5483","10.1039/c4ob00912f","","","0.71073","MoKα","","0.1645","0.0834","","","0.1934","0.2409","","","","","","1.028","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153860","8.8199","0.0008","12.7684","0.0012","13.8563","0.0013","90","","91.733","0.002","90","","1559.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Xin, Xiaoqing; Liu, Xu; Zhang, Dingyuan; Zhang, Rui; Liang, Yongjiu; Han, Fushe; Dong, Dewen","Divergent synthesis of 2,3-dihydro-1H-pyrroles, 3-alkyl-1H-pyrroles and 3-alkenyl-1H-pyrroles from 2,4-pentadienenitriles and isocyanides.","Organic & biomolecular chemistry","2014","12","29","5477","5483","10.1039/c4ob00912f","","","0.71073","MoKα","","0.0833","0.0545","","","0.1147","0.1276","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153861","9.259","0.005","13.478","0.005","15.399","0.005","90","0.005","90","0.005","90","0.005","1921.7","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20.25 H20.25 N2.25 O4.5 S0 -","- C22 H17 N O S2 -","- C88 H68 N4 O4 S8 -","4","1","","Srivastava, Abhijeet; Shukla, Gaurav; Nagaraju, Anugula; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Jones, Raymond C. F.; Singh, Maya Shankar","In(OTf)3-catalysed one-pot versatile pyrrole synthesis through domino annulation of α-oxoketene-N,S-acetals with nitroolefins.","Organic & biomolecular chemistry","2014","12","29","5484","5491","10.1039/c4ob00781f","","","0.71073","MoKα","","0.0764","0.0568","","","0.1476","0.1767","","","","","","0.586","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153862","30.216","0.002","5.9581","0.0004","26.7531","0.0016","90","","92.479","0.005","90","","4811.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 N O S -","- C31 H25 N O S -","- C248 H200 N8 O8 S8 -","8","1","","Srivastava, Abhijeet; Shukla, Gaurav; Nagaraju, Anugula; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Jones, Raymond C. F.; Singh, Maya Shankar","In(OTf)3-catalysed one-pot versatile pyrrole synthesis through domino annulation of α-oxoketene-N,S-acetals with nitroolefins.","Organic & biomolecular chemistry","2014","12","29","5484","5491","10.1039/c4ob00781f","","","0.71073","MoKα","","0.0829","0.05","","","0.102","0.1199","","","","","","1.032","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153863","6.7699","0.0004","8.2068","0.0005","15.1001","0.0009","90","","90","","90","","838.95","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2,2-dihydroxy-2-(5-oxotetrahydrofuran-2-yl)acetate","","- C7 H10 O6 -","- C7 H10 O6 -","- C28 H40 O24 -","4","1","","Sudhakar, Gangarajula; Bayya, Shruthi; Kadam, Vilas D.; Nanubolu, Jagadeesh Babu","Total synthesis of gonytolides C and G, lachnone C, and formal synthesis of blennolide C and diversonol.","Organic & biomolecular chemistry","2014","12","30","5601","5610","10.1039/c4ob00950a","","","0.71073","MoKα","","0.0297","0.0295","","","0.083","0.0831","","","","","","1.201","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153864","8.403","0.006","15.083","0.01","11.686","0.008","90","","98.565","0.006","90","","1464.6","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 O6 -","- C19 H12 O6 -","- C76 H48 O24 -","4","1","","Li, Jing; Hou, Zheng; Chen, Guang-Hui; Li, Fen; Zhou, Ying; Xue, Xiao-Yan; Li, Zhou-Peng; Jia, Min; Zhang, Zi-Dan; Li, Ming-Kai; Luo, Xiao-Xing","Synthesis, antibacterial activities, and theoretical studies of dicoumarols.","Organic & biomolecular chemistry","2014","12","29","5528","5535","10.1039/c4ob00772g","","","0.71073","MoKα","","0.0506","0.0447","","","0.1224","0.127","","","","","","1.115","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153865","11.6403","0.0009","14.5767","0.0011","16.4463","0.0012","90","","90","","90","","2790.6","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Cl4 Cu2 N4 O4 -","- C20 H32 Cl4 Cu2 N4 O4 -","- C80 H128 Cl16 Cu8 N16 O16 -","4","0.5","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.0354","0.0264","","","0.0676","0.0722","","","","","","1.042","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153866","10.506","0.005","12.627","0.006","12.057","0.005","90","","115.714","0.005","90","","1441.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Br2 Cu N2 O2 -","- C10 H16 Br2 Cu N2 O2 -","- C40 H64 Br8 Cu4 N8 O8 -","4","1","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.1637","0.0581","","","0.1252","0.1699","","","","","","0.933","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153867","10.5479","0.0007","15.7383","0.0011","11.3501","0.0008","90","","99.802","0.001","90","","1856.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br2 Cu N3 O2 -","- C15 H19 Br2 Cu N3 O2 -","- C60 H76 Br8 Cu4 N12 O8 -","4","1","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.0446","0.0282","","","0.0639","0.0702","","","","","","1.028","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153868","14.4443","0.0015","6.1524","0.0006","14.5492","0.0015","90","","98.226","0.001","90","","1279.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","1","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.1085","0.0483","","","0.1086","0.1341","","","","","","0.998","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153869","10.892","0.002","7.9279","0.0018","19.835","0.004","90","","90","","90","","1712.8","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H6 F N O2 -","- C10 H6 F N O2 -","- C80 H48 F8 N8 O16 -","8","1","","Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo","Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.","Organic & biomolecular chemistry","2014","12","28","5102","5107","10.1039/c4ob01052c","","","0.71073","MoKα","","0.068","0.0601","","","0.114","0.1175","","","","","","1.287","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153870","12.761","0.003","20.483","0.004","8.2482","0.0015","90","","98.692","0.003","90","","2131.2","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 F5 N O4 -","- C26 H14 F5 N O4 -","- C104 H56 F20 N4 O16 -","4","1","","Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo","Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.","Organic & biomolecular chemistry","2014","12","28","5102","5107","10.1039/c4ob01052c","","","0.71073","MoKα","","0.06","0.0548","","","0.1284","0.1316","","","","","","1.158","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153871","9.309","0.002","9.593","0.002","12.074","0.003","76.314","0.01","76.794","0.01","79.813","0.01","1011.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 F2 N O4 -","- C26 H17 F2 N O4 -","- C52 H34 F4 N2 O8 -","2","1","","Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo","Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.","Organic & biomolecular chemistry","2014","12","28","5102","5107","10.1039/c4ob01052c","","","0.71073","MoKα","","0.0597","0.0528","","","0.1158","0.1198","","","","","","1.133","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153872","18.3921","0.0007","18.3921","0.0007","23.2883","0.0017","90","","90","","120","","6822.3","0.6","296.24","0.11","296.24","0.11","","","","","","","","5","P 32","P 32","145","","","","- C17 H11 N3 O2 S -","- C17 H11 N3 O2 S -","- C306 H198 N54 O36 S18 -","18","6","","Zhu, Yi-Shuo; Shi, Benyi; Fang, Ran; Wang, Xiaoxuan; Jing, Huanwang","Palladium-catalyzed microwave-assisted direct arylation of imidazo[2,1-b]thiazoles with aryl bromides: synthesis and mechanistic study.","Organic & biomolecular chemistry","2014","12","30","5773","5780","10.1039/c4ob00600c","","","0.7107","MoKα","","0.1152","0.0619","","","0.1226","0.1433","","","","","","1.11","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153873","7.6554","0.0003","9.9905","0.0004","12.4133","0.0005","84.57","0.004","88.088","0.003","67.987","0.004","876.22","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N4 O6 S -","- C16 H20 N4 O6 S -","- C32 H40 N8 O12 S2 -","2","1","","Surya Prakash Rao, H.; Parthiban, A.","One-pot pseudo three-component reaction of nitroketene-N,S-acetals and aldehydes for synthesis of highly functionalized hexa-substituted 1,4-dihydropyridines.","Organic & biomolecular chemistry","2014","12","32","6223","6238","10.1039/c4ob00628c","","","0.71073","MoKα","","0.0636","0.0435","","","0.1295","0.1452","","","","","","0.997","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153874","11.976","0.0006","15.2085","0.0006","12.0589","0.0008","90","","106.923","0.006","90","","2101.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl0.25 N3 O5 -","- C20 H21 Cl N6 O4 -","- C80 H84 Cl4 N24 O16 -","4","1","","Surya Prakash Rao, H.; Parthiban, A.","One-pot pseudo three-component reaction of nitroketene-N,S-acetals and aldehydes for synthesis of highly functionalized hexa-substituted 1,4-dihydropyridines.","Organic & biomolecular chemistry","2014","12","32","6223","6238","10.1039/c4ob00628c","","","0.7107","MoKα","","0.1024","0.0509","","","0.0996","0.1166","","","","","","0.989","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153875","5.9134","0.0001","19.9075","0.0004","23.6392","0.0005","90","","90","","90","","2782.83","0.09","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β‒hydroxy‒16β‒(4‒phenyl‒1<i>H</i>‒1,2,3‒triazol‒1‒yl)‒ 17α‒hydroxy‒17β‒methyl‒D‒homoandrost‒5‒en‒17a‒one","","- C29 H37 N3 O3 -","- C29 H37 N3 O3 -","- C116 H148 N12 O12 -","4","1","","Kotovshchikov, Yury N.; Latyshev, Gennadij V.; Lukashev, Nikolay V.; Beletskaya, Irina P.","Synthesis of novel 1,2,3-triazolyl derivatives of pregnane, androstane and d-homoandrostane. Tandem ""click"" reaction/Cu-catalyzed d-homo rearrangement.","Organic & biomolecular chemistry","2014","12","22","3707","3720","10.1039/c4ob00404c","","","1.5418","CuKα","","0.0835","0.0465","","","0.1038","0.1158","","","","","","0.869","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153876","6.2213","0.0004","19.9582","0.0012","13.3944","0.0009","90","","93.326","0.007","90","","1660.33","0.18","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo","Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.","Organic & biomolecular chemistry","2014","12","22","3590","3593","10.1039/c4ob00590b","","","0.7107","MoKα","","0.0563","0.0441","","","0.1081","0.1161","","","","","","1.046","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153877","6.1765","0.0002","11.6169","0.0004","24.6124","0.0011","90","","96.136","0.004","90","","1755.87","0.11","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 -","- C25 H24 -","- C100 H96 -","4","1","","Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo","Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.","Organic & biomolecular chemistry","2014","12","22","3590","3593","10.1039/c4ob00590b","","","0.7107","MoKα","","0.0753","0.055","","","0.1161","0.1273","","","","","","1.068","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153878","19.1645","0.0014","5.9934","0.0005","29.725","0.003","90","","98.23","0.008","90","","3379.1","0.5","100.01","0.13","100.01","0.13","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C176 H176 O16 -","8","1","","Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo","Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.","Organic & biomolecular chemistry","2014","12","22","3590","3593","10.1039/c4ob00590b","","","0.7107","MoKα","","0.1203","0.0711","","","0.1416","0.1779","","","","","","1.055","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153879","7.2984","0.0019","10.981","0.003","10.041","0.003","90","","90.375","0.004","90","","804.7","0.4","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C32 H50 N2 O6 -","2","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0327","0.0314","","","0.0901","0.0916","","","","","","1.04","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153880","5.51","0.005","13.604","0.011","19.941","0.016","90","","90","","90","","1495","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0483","0.0411","","","0.1004","0.105","","","","","","1.014","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153881","5.4633","0.0008","11.8774","0.0017","12.69","0.0018","90","","93.632","0.002","90","","821.8","0.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C32 H50 N2 O10 -","2","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0251","0.025","","","0.0709","0.0712","","","","","","1.052","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153882","11.7026","0.0004","9.9471","0.0003","28.8577","0.0012","90","","90","","90","","3359.2","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(1-Oxo-2,2,6,6-tetramethylpiperidin-4-yl)-pivalamide","","- C14 H27 N2 O2 -","- C14 H27 N2 O2 -","- C112 H216 N16 O16 -","8","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.7107","MoKα","","0.0693","0.0507","","","","0.1554","","","","","","1.0712","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153883","11.94158","0.00018","12.0243","0.0002","11.31901","0.00019","90","","90","","90","","1625.29","0.05","293","1","293","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-tert-Butoxycarbonylamino-2,2,6,6-tetramethylpiperidin-1-oxid","","- C14 H27 N2 O3 -","- C14 H27 N2 O3 -","- C56 H108 N8 O12 -","4","0.5","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.064","0.058","","","0.1661","0.1727","","","","","","1.076","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153884","11.9401","0.0007","11.3109","0.0007","10.5933","0.0005","90","","90","","90","","1430.66","0.14","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3-(2,2,2-Trifluoroacetylamino)-2,2,5,5-tetramethylpyrrolidin-1-oxid","","- C11 H18 F3 N2 O2 -","- C11 H18 F3 N2 O2 -","- C44 H72 F12 N8 O8 -","4","0.5","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0879","0.0664","","","0.1805","0.2075","","","","","","1.094","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153885","8.28928","0.00018","19.4108","0.0004","26.6839","0.0005","90","","90","","90","","4293.48","0.15","293","1","293","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetyl-N, N-bis-(1-oxo-2,2,6,6-tetramethylpiperidin-4-yl)-amine","","- C20 H37 N3 O3 -","- C20 H37 N3 O3 -","- C160 H296 N24 O24 -","8","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0582","0.0498","","","0.1366","0.1435","","","","","","1.069","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153886","14.2418","0.0004","9.4098","0.0002","19.498","0.0006","90","","103.412","0.003","90","","2541.71","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2,2,2-Trifluoroacetyl)-N,N-bis- (1-oxo-2,2,6,6-tetramethylpiperidin-4-yl)-amine 1/2 ethanol hemihydrat","","- C21 H38 F3 N3 O4 -","- C21 H38 F3 N3 O4 -","- C84 H152 F12 N12 O16 -","4","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0681","0.0573","","","0.169","0.1837","","","","","","1.03","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153887","8.8826","0.0008","9.7822","0.0008","20.8708","0.0018","90","","90","","90","","1813.5","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 3-(4-chlorophenyl)-2-cyano-2,3-dihydronaphtho[1,2-b]furan-2-carbimidate","","- C21 H15 Cl N2 O2 -","- C21 H15 Cl N2 O2 -","- C84 H60 Cl4 N8 O8 -","4","1","","Mandha, Santhosh Reddy; Alla, Manjula; Nanubolu, Jagadeesh Babu","""One-pot"" access to dihydrofurans via tandem oxidative difunctionalization and ring contraction of aminopyrans.","Organic & biomolecular chemistry","2014","12","25","4412","4420","10.1039/c4ob00324a","","","0.71073","MoKα","","0.0343","0.0324","","","0.0858","0.0876","","","","","","0.986","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153888","15.9828","0.0014","6.8208","0.0006","34.232","0.003","90","","90","","90","","3731.8","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 3-phenylnaphtho[1,2-b]furan-2,2(3H)-bis(carbimidate)","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C176 H160 N16 O24 -","8","1","","Mandha, Santhosh Reddy; Alla, Manjula; Nanubolu, Jagadeesh Babu","""One-pot"" access to dihydrofurans via tandem oxidative difunctionalization and ring contraction of aminopyrans.","Organic & biomolecular chemistry","2014","12","25","4412","4420","10.1039/c4ob00324a","","","0.71073","MoKα","","0.0419","0.0383","","","0.0986","0.1018","","","","","","1.049","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153889","9.3671","0.0006","9.5385","0.0007","17.0984","0.0012","90","","90","","90","","1527.71","0.18","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Roca-López, David; Marqués-López, Eugenia; Alcaine, Ana; Merino, Pedro; Herrera, Raquel P.","A Friedel-Crafts alkylation mechanism using an aminoindanol-derived thiourea catalyst.","Organic & biomolecular chemistry","2014","12","25","4503","4510","10.1039/c4ob00348a","","","1.54178","CuKα","","0.0575","0.0492","","","0.116","0.1197","","","","","","1.002","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153890","8.9888","0.00014","6.81739","0.00008","18.275","0.0002","90","","100.482","0.0014","90","","1101.21","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C56 H50 N2 O6 -","2","1","","Ouyang, Banlai; Yu, Tingting; Luo, Renshi; Lu, Gui","The asymmetric Cu(ii)-indolinylmethanol complex catalyzed Diels-Alder reaction of 2-vinylindoles with β,γ-unsaturated α-ketoesters: an efficient route to functionalized tetrahydrocarbazoles.","Organic & biomolecular chemistry","2014","12","24","4172","4176","10.1039/c4ob00196f","","","1.54184","CuKα","","0.0292","0.0273","","","0.0685","0.0703","","","","","","1.046","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153891","34.5934","0.0006","34.5934","0.0006","8.2566","0.0003","90","","90","","120","","8556.9","0.4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H42 N2 O6 Rh2 -","- C38 H42 N2 O6 Rh2 -","- C342 H378 N18 O54 Rh18 -","9","0.5","","Lam, Hon-Wah; Man, Ka-Yi; Chan, Wai-Wing; Zhou, Zhongyuan; Yu, Wing-Yiu","Rhodium(iii)-catalyzed formal oxidative [4 + 1] cycloaddition of benzohydroxamic acids and α-diazoesters. A facile synthesis of functionalized benzolactams.","Organic & biomolecular chemistry","2014","12","24","4112","4116","10.1039/c4ob00512k","","","0.71073","MoKα","","0.0885","0.0649","","","0.1959","0.2312","","","","","","1.004","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153892","5.8444","0.0012","19.476","0.004","10.909","0.002","90","","95.18","0.03","90","","1236.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 Cl2 N2 O2 -","- C9 H14 Cl2 N2 O2 -","- C36 H56 Cl8 N8 O8 -","4","1","","Zhao, Fei; Li, Yuexing; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Selective synthesis of (Z)-2-enynyl-2-hydroxy-imidazolidine-4,5-diones via Cu(i)-mediated multicomponent coupling of terminal alkynes, carbodiimides and oxalyl chloride.","Organic & biomolecular chemistry","2014","12","21","3336","3339","10.1039/c4ob00185k","","","0.71073","MoKα","","0.0692","0.0445","","","0.0943","0.1006","","","","","","0.993","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153893","10.058","0.002","25.771","0.005","14.912","0.003","90","","106.01","0.03","90","","3715.3","1.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Cl6 N2 O3 -","- C35 H40 Cl6 N2 O3 -","- C140 H160 Cl24 N8 O12 -","4","1","","Zhao, Fei; Li, Yuexing; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Selective synthesis of (Z)-2-enynyl-2-hydroxy-imidazolidine-4,5-diones via Cu(i)-mediated multicomponent coupling of terminal alkynes, carbodiimides and oxalyl chloride.","Organic & biomolecular chemistry","2014","12","21","3336","3339","10.1039/c4ob00185k","","","0.71073","MoKα","","0.1898","0.0749","","","0.1394","0.1506","","","","","","0.992","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153894","7.7404","0.0015","8.6624","0.0017","13.34","0.003","81.46","0.03","89.7","0.03","70.47","0.03","832.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Liu, Bingjie; Zhang, Yueteng; Huang, Gang; Zhang, Xinting; Niu, Pengfei; Wu, Jie; Yu, Wenquan; Chang, Junbiao","A concise approach to polysubstituted oxazoles from N-acyl-2-bromo enamides via a copper(i)/amino acid-catalyzed intramolecular C-O bond formation.","Organic & biomolecular chemistry","2014","12","23","3912","3923","10.1039/c4ob00309h","","","0.71073","MoKα","","0.3106","0.2092","","","0.3973","0.463","","","","","","1.275","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7153895","6.508","0.001","25.907","0.003","9.134","0.0001","90","","99.33","0.01","90","","1519.6","0.3","198","2","198","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","2","","Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim","Palladium(ii)-catalysed total synthesis of naturally occurring pyrano[3,2-a]carbazole and pyrano[2,3-b]carbazole alkaloids.","Organic & biomolecular chemistry","2014","12","23","3866","3876","10.1039/c4ob00367e","","x-ray","0.71073","MoKα","","0.0771","0.0428","","","0.0783","0.0904","","","","","","1.065","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153896","6.763","0.001","8.187","0.001","13.881","0.001","90","","91.33","0.01","90","","768.37","0.16","198","2","198","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim","Palladium(ii)-catalysed total synthesis of naturally occurring pyrano[3,2-a]carbazole and pyrano[2,3-b]carbazole alkaloids.","Organic & biomolecular chemistry","2014","12","23","3866","3876","10.1039/c4ob00367e","","x-ray","0.71073","MoKα","","0.0547","0.0386","","","0.0854","0.0936","","","","","","1.045","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153897","7.0995","0.0008","8.0775","0.0009","11.9904","0.0015","89.359","0.004","77.992","0.004","74.584","0.004","647.65","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 F O4 -","- C14 H17 F O4 -","- C28 H34 F2 O8 -","2","1","","Lee, Ji Eun; Kwon, Tae Hui; Gu, Su Jin; Lee, Duck-Hyung; Kim, B. Moon; Lee, Jae Yeol; Lee, Jae Kyun; Seo, Seon Hee; Pae, Ae Nim; Keum, Gyochang; Cho, Yong Seo; Min, Sun-Joon","Efficient synthesis of mibefradil analogues: an insight into in vitro stability.","Organic & biomolecular chemistry","2014","12","30","5669","5681","10.1039/c4ob00504j","","","0.71075","MoKα","","","0.0397","","","","0.1215","","","","","","1.105","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153898","10.8393","0.0005","16.7856","0.0003","42.689","0.002","90","","90","","90","","7767","0.5","100","2","100","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C37 H34 Cl2 F12 N2 O3 Si -","- C37 H34 Cl2 F12 N2 O3 Si -","- C296 H272 Cl16 F96 N16 O24 Si8 -","8","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.1354","0.0656","","","0.1412","0.1651","","","","","","0.971","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153899","8.9169","0.0013","17.351","0.003","17.602","0.003","90","","90","","90","","2723.3","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl2 N2 O3 -","- C30 H30 Cl2 N2 O3 -","- C120 H120 Cl8 N8 O12 -","4","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.152","0.063","","","0.1281","0.1519","","","","","","1.028","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153900","19.3984","0.001","9.6352","0.0005","16.2688","0.0009","90","","108.737","0.002","90","","2879.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","2","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.1482","0.0667","","","0.1537","0.1851","","","","","","0.98","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153901","19.0719","0.0012","5.2738","0.0003","27.2994","0.0014","90","","90.632","0.004","90","","2745.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.0948","0.054","","","0.13","0.1456","","","","","","1.042","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153902","6.894","0.002","9.539","0.003","9.718","0.003","80.82","0.011","72.41","0.009","88.45","0.012","601.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N2 O5 S -","- C11 H10 N2 O5 S -","- C22 H20 N4 O10 S2 -","2","1","","Gao, Zhenzhen; Zhang, Lei; Sun, Zhanhu; Yu, Hao; Xiao, Yumei; Guo, Hongchao","DABCO-catalyzed [3 + 2] annulation of sulfamate-derived cyclic imines with isocyanoacetates: synthesis of sulfamate-fused 2-imidazoline.","Organic & biomolecular chemistry","2014","12","30","5691","5697","10.1039/c4ob00840e","","","0.71073","MoKα","","0.0436","0.0425","","","0.1066","0.1075","","","","","","1.116","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153903","12.3807","0.001","10.2922","0.0008","13.3591","0.001","90","","102.839","0.001","90","","1659.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","","Ji, Fei; Lv, Mei-Fang; Yi, Wen-Bin; Cai, Chun","One-pot synthesis of 2-amino-4(3H)-quinazolinones via ring-opening of isatoic anhydride and palladium-catalyzed oxidative isocyanide-insertion.","Organic & biomolecular chemistry","2014","12","30","5766","5772","10.1039/c4ob00484a","","","0.71073","MoKα","","0.0546","0.0412","","","0.1086","0.1212","","","","","","1.028","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153904","8.3283","0.001","10.8019","0.0013","10.6819","0.0012","90","","90.74","0.004","90","","960.9","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-1-(tetrahydro-2H-pyran-2-yl)pyrimidin-2(1H)-one","","- C9 H13 N3 O2 -","- C9 H13 N3 O2 -","- C36 H52 N12 O8 -","4","1","","Kananovich, Dzmitry G.; Reino, Alli; Ilmarinen, Kaja; Rõõmusoks, Marko; Karelson, Mati; Lopp, Margus","A general approach to the synthesis of 5-S-functionalized pyrimidine nucleosides and their analogues.","Organic & biomolecular chemistry","2014","12","30","5634","5644","10.1039/c4ob00597j","","","0.71073","MoKα","","0.0483","0.0413","","","0.1122","0.1178","","","","","","1.035","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153905","13.2055","0.0012","13.6518","0.0012","14.051","0.0013","71.739","0.001","63.879","0.001","63.428","0.001","2012.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 F2 N2 O5 S2 -","- C42 H36 F2 N2 O5 S2 -","- C84 H72 F4 N4 O10 S4 -","2","1","","Li, Lidong; Hu, Qiong; Zhou, Pingping; Xie, Haifeng; Zhang, Xiaorong; Zhang, Hao; Hu, Yadong; Yin, Fei; Hu, Yimin","One-step synthesis of diazaspiro[4.5]decane scaffolds with exocyclic double bonds.","Organic & biomolecular chemistry","2014","12","29","5356","5359","10.1039/c4ob00516c","","","0.71073","MoKα","","0.1361","0.096","","","0.3009","0.336","","","","","","1.025","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153906","13.315","0.003","12.121","0.003","24.851","0.006","90","","100.657","0.003","90","","3941.6","1.6","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C41 H33 F2 N3 O4 S2 -","- C41 H33 F2 N3 O4 S2 -","- C164 H132 F8 N12 O16 S8 -","4","1","","Li, Lidong; Hu, Qiong; Zhou, Pingping; Xie, Haifeng; Zhang, Xiaorong; Zhang, Hao; Hu, Yadong; Yin, Fei; Hu, Yimin","One-step synthesis of diazaspiro[4.5]decane scaffolds with exocyclic double bonds.","Organic & biomolecular chemistry","2014","12","29","5356","5359","10.1039/c4ob00516c","","","0.71073","MoKα","","0.0802","0.0506","","","0.1498","0.1648","","","","","","0.971","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153907","28.49","0.002","12.0125","0.001","27.294","0.002","90","","110.977","0.001","90","","8721.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 N3 O4 S2 -","- C43 H39 N3 O4 S2 -","- C344 H312 N24 O32 S16 -","8","1","","Li, Lidong; Hu, Qiong; Zhou, Pingping; Xie, Haifeng; Zhang, Xiaorong; Zhang, Hao; Hu, Yadong; Yin, Fei; Hu, Yimin","One-step synthesis of diazaspiro[4.5]decane scaffolds with exocyclic double bonds.","Organic & biomolecular chemistry","2014","12","29","5356","5359","10.1039/c4ob00516c","","","0.71073","MoKα","","0.099","0.0576","","","0.1739","0.1919","","","","","","1.081","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153908","18.3878","0.0011","7.5278","0.0005","26.7776","0.0015","90","","100.221","0.002","90","","3647.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cyclic Trimer of 3-(Diethylborylethynyl)pyridine","","","- C36 H48 B3 N3 O3 -","- C36 H48 B3 N3 O3 -","- C144 H192 B12 N12 O12 -","4","1","","Wakabayashi, Shigeharu; Kuse, Mitsumi; Kida, Aimi; Komeda, Seiji; Tatsumi, Kazuyuki; Sugihara, Yoshikazu","The structure of 3-(diethylborylethynyl)pyridine: a nonplanarly arranged cyclic trimer.","Organic & biomolecular chemistry","2014","12","29","5382","5387","10.1039/c4ob00849a","","","0.71075","MoKα","","0.1137","0.0553","","","0.1425","0.1785","","","","","","1.046","","","","has coordinates","287929","2023-12-01","12:10:10",""
"7153909","9.96379","0.00018","10.04828","0.00018","19.6441","0.0004","90","","90","","90","","1966.75","0.06","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 O3 Se -","- C24 H16 O3 Se -","- C96 H64 O12 Se4 -","4","1","","Wu, Xiangfei; Shirakawa, Seiji; Maruoka, Keiji","Efficient asymmetric synthesis of spiro-2(3H)-furanones via phase-transfer-catalyzed alkynylation.","Organic & biomolecular chemistry","2014","12","29","5388","5392","10.1039/c4ob00969j","","","1.54187","CuKα","","","0.0541","","","","0.222","","","","","","1.604","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153910","19.6382","0.0007","10.7068","0.0003","21.8503","0.0009","90","","119.245","0.005","90","","4008.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 Br2 Cl2 N8 O4 -","- C41 H36 Br2 Cl2 N8 O4 -","- C164 H144 Br8 Cl8 N32 O16 -","4","0.5","","Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.","A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.","Organic & biomolecular chemistry","2014","12","34","6598","6609","10.1039/c4ob00865k","","","0.7107","MoKα","","0.0469","0.0347","","","0.0735","0.0784","","","","","","1.019","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153911","9.1221","0.0002","10.9612","0.0003","12.8679","0.0003","71.798","0.002","79.244","0.002","88.953","0.002","1199.69","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Br N4 -","- C28 H24 Br N4 -","- C56 H48 Br2 N8 -","2","1","","Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.","A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.","Organic & biomolecular chemistry","2014","12","34","6598","6609","10.1039/c4ob00865k","","","1.54184","CuKα","","0.0607","0.0593","","","0.1439","0.1449","","","","","","1.081","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153912","11.4914","0.0004","11.8011","0.0003","13.043","0.0006","90","","107.162","0.005","90","","1690.02","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N4 O2 -","- C20 H16 N4 O2 -","- C80 H64 N16 O8 -","4","1","","Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.","A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.","Organic & biomolecular chemistry","2014","12","34","6598","6609","10.1039/c4ob00865k","","","0.7107","MoKα","","0.0638","0.0436","","","0.0907","0.1171","","","","","","1.124","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153913","12.5878","0.0002","9.3875","0.0002","14.5609","0.0003","90","","98.3672","0.0008","90","","1702.32","0.06","150","","150","","","","","","","","syn","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl N2 O3 -","- C18 H19 Cl N2 O3 -","- C72 H76 Cl4 N8 O12 -","4","1","","Knipe, Peter C.; Smith, Martin D.","Enantioselective one-pot synthesis of dihydroquinolones via BINOL-derived Lewis acid catalysis.","Organic & biomolecular chemistry","2014","12","28","5094","5097","10.1039/c4ob00627e","","","0.71073","MoKα","","0.0572","0.0402","","0.1104","0.0945","0.1104","","","","","","0.9508","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153914","12.552","0.001","8.49","0.001","15.725","0.001","90","","104.14","0.01","90","","1625","0.3","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Hasebein, Peer; Frehland, Bastian; Lehmkuhl, Kirstin; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Synthesis and pharmacological evaluation of like- and unlike-configured tetrahydro-2-benzazepines with the α-substituted benzyl moiety in the 5-position.","Organic & biomolecular chemistry","2014","12","29","5407","5426","10.1039/c4ob00510d","","","0.71073","MoKα","","0.0697","0.0453","","","0.101","0.1108","","","","","","1.041","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153915","5.8931","0.0013","20.199","0.004","11.95","0.003","90","","92.215","0.004","90","","1421.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Fe N4 -","- C17 H14 Fe N4 -","- C68 H56 Fe4 N16 -","4","1","","Sun, Ranfeng; Wang, Huangdong; Hu, Jianfeng; Zhao, Jiudong; Zhang, Hao","Pyridine-phosphinimine ligand-accelerated Cu(i)-catalyzed azide-alkyne cycloaddition for preparation of 1-(pyridin-2-yl)-1,2,3-triazole derivatives.","Organic & biomolecular chemistry","2014","12","31","5954","5963","10.1039/c4ob01176g","","","0.71073","MoKα","","0.0436","0.0344","","","0.0848","0.0897","","","","","","1.034","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153916","10.14509","0.00012","9.34727","0.00009","19.6126","0.0003","90","","101.171","0.0012","90","","1824.61","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H38 Cl2 N3 O6 -","- C39 H38 Cl2 N3 O6 -","- C78 H76 Cl4 N6 O12 -","2","1","","Tang, Zhongkai; Shi, Yan; Mao, Haibin; Zhu, Xuebin; Li, Weipeng; Cheng, Yixiang; Zheng, Wen-Hua; Zhu, Chengjian","Highly enantioselective synthesis of bisoxindoles with two vicinal quaternary stereocenters via Lewis base mediated addition of oxindoles to isatin-derived ketimines.","Organic & biomolecular chemistry","2014","12","32","6085","6088","10.1039/c4ob01039f","","","1.54184","CuKα","","0.0707","0.0694","","","0.1756","0.1772","","","","","","1.02","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153917","5.544","0.0018","23.166","0.008","12.365","0.004","90","","102.769","0.004","90","","1548.8","0.9","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Murphy, Samantha; Bright, Sandra A.; Poynton, Fergus E.; McCabe, Thomas; Kitchen, Jonathan A.; Veale, Emma B.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, photophysical and cytotoxicity evaluations of DNA targeting agents based on 3-amino-1,8-naphthalimide derived Tröger's bases.","Organic & biomolecular chemistry","2014","12","34","6610","6623","10.1039/c3ob42213e","","","0.71075","MoKα","","0.0907","0.0599","","","0.17","0.2225","","","","","","1.123","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153918","6.962","0.002","14.046","0.005","16.346","0.006","90","","95.843","0.004","90","","1590.1","0.9","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","1","","Murphy, Samantha; Bright, Sandra A.; Poynton, Fergus E.; McCabe, Thomas; Kitchen, Jonathan A.; Veale, Emma B.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, photophysical and cytotoxicity evaluations of DNA targeting agents based on 3-amino-1,8-naphthalimide derived Tröger's bases.","Organic & biomolecular chemistry","2014","12","34","6610","6623","10.1039/c3ob42213e","","","0.71075","MoKα","","0.0697","0.0588","","","0.1139","0.119","","","","","","1.202","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153919","6.6599","0.0017","21.31","0.005","11.054","0.003","90","","99.174","0.004","90","","1548.7","0.7","118","2","118","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C72 H76 N12 O8 -","4","1","","Murphy, Samantha; Bright, Sandra A.; Poynton, Fergus E.; McCabe, Thomas; Kitchen, Jonathan A.; Veale, Emma B.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, photophysical and cytotoxicity evaluations of DNA targeting agents based on 3-amino-1,8-naphthalimide derived Tröger's bases.","Organic & biomolecular chemistry","2014","12","34","6610","6623","10.1039/c3ob42213e","","","0.71075","MoKα","","0.0845","0.0583","","","0.1641","0.1973","","","","","","1.169","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153920","26.0037","0.0015","10.4097","0.0006","15.2507","0.0009","90","","98.599","0.001","90","","4081.8","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 N S -","- C28 H19 N S -","- C224 H152 N8 S8 -","8","1","","Saito, Takao; Sonoki, Yoshihiko; Otani, Takashi; Kutsumura, Noriki","Triflic acid-promoted cycloisomerization of 2-alkynylphenyl isothiocyanates and isocyanates: a novel synthetic method for a variety of indole derivatives.","Organic & biomolecular chemistry","2014","12","42","8398","8407","10.1039/c4ob00825a","","","0.71073","MoKα","","0.0424","0.0391","","","0.0999","0.1032","","","","","","1.008","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153921","10.8131","0.0016","6.5022","0.001","16.577","0.003","90","","105.352","0.002","90","","1123.9","0.3","291","","291","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Saito, Takao; Sonoki, Yoshihiko; Otani, Takashi; Kutsumura, Noriki","Triflic acid-promoted cycloisomerization of 2-alkynylphenyl isothiocyanates and isocyanates: a novel synthetic method for a variety of indole derivatives.","Organic & biomolecular chemistry","2014","12","42","8398","8407","10.1039/c4ob00825a","","","0.71073","MoKα","","0.0994","0.0659","","","0.1605","0.1829","","","","","","0.895","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153922","38.9202","0.0004","12.316","0.0003","14.8423","0.0006","90","","99.601","0.004","90","","7014.9","0.3","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C41 H31 Cl3 N4 -","- C41 H31 Cl3 N4 -","- C328 H248 Cl24 N32 -","8","2","","Dokládalová, L; Bureš, F; Kuznik, W.; Kityk, I. V.; Wojciechowski, A.; Mikysek, T.; Almonasy, N.; Ramaiyan, M.; Padělková, Z; Kulhánek, J; Ludwig, M.","Dicyanobenzene and dicyanopyrazine derived X-shaped charge-transfer chromophores: comparative and structure-property relationship study.","Organic & biomolecular chemistry","2014","12","29","5517","5527","10.1039/c4ob00901k","","","0.71073","MoKα","","0.1146","0.0763","","","0.1622","0.1892","","","","","","1.168","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153923","12.148","0.0005","13.7149","0.0006","14.8781","0.0012","98.9","0.006","107.234","0.005","108.859","0.004","2152.7","0.3","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H23 Cl N4 -","- C24.5 H23 Cl N4 -","- C98 H92 Cl4 N16 -","4","2","","Dokládalová, L; Bureš, F; Kuznik, W.; Kityk, I. V.; Wojciechowski, A.; Mikysek, T.; Almonasy, N.; Ramaiyan, M.; Padělková, Z; Kulhánek, J; Ludwig, M.","Dicyanobenzene and dicyanopyrazine derived X-shaped charge-transfer chromophores: comparative and structure-property relationship study.","Organic & biomolecular chemistry","2014","12","29","5517","5527","10.1039/c4ob00901k","","","0.71073","MoKα","","0.0725","0.0513","","","0.1166","0.1341","","","","","","1.084","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7153924","9.76204","0.00004","9.76204","0.00004","31.9566","0.0002","90","","90","","90","","3045.38","0.03","100","2","100","2","","","","","","","synthesis as described","6","P 41","P 4w","76","","","","- C34 H34 Cl N3 Ni O4 -","- C34 H34 Cl N3 Ni O4 -","- C136 H136 Cl4 N12 Ni4 O16 -","4","1","","Takeda, Ryosuke; Kawamura, Akie; Kawashima, Aki; Moriwaki, Hiroki; Sato, Tatsunori; Aceña, José Luis; Soloshonok, Vadim A.","Design and synthesis of (S)- and (R)-α-(phenyl)ethylamine-derived NH-type ligands and their application for the chemical resolution of α-amino acids.","Organic & biomolecular chemistry","2014","12","32","6239","6249","10.1039/c4ob00669k","","x-ray","1.54184","CuKα","","0.0263","0.0262","","","0.0698","0.0699","","","","","","1.115","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153925","7.541","0.002","10.227","0.003","10.666","0.003","79.51","0.005","74.206","0.005","70.686","0.005","743.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 I O3 -","- C16 H17 I O3 -","- C32 H34 I2 O6 -","2","1","","Surasani, Seshi Reddy; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Diels-Alder reactions of 4-halo masked o-benzoquinones. Experimental and theoretical investigations.","Organic & biomolecular chemistry","2014","12","30","5656","5668","10.1039/c4ob00856a","","","0.71073","MoKα","","0.0481","0.0466","","","0.1229","0.1243","","","","","","1.188","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153926","10.6073","0.0017","7.7726","0.0013","21.494","0.003","90","","119.15","0.006","90","","1547.7","0.4","240","","240","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br O3 S -","- C16 H17 Br O3 S -","- C64 H68 Br4 O12 S4 -","4","1","","Surasani, Seshi Reddy; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Diels-Alder reactions of 4-halo masked o-benzoquinones. Experimental and theoretical investigations.","Organic & biomolecular chemistry","2014","12","30","5656","5668","10.1039/c4ob00856a","","","0.71073","MoKα","","0.0638","0.0408","","","0.0719","0.0779","","","","","","0.995","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153927","5.9259","0.0003","11.0893","0.0006","12.334","0.0006","79.323","0.003","78.333","0.003","86.45","0.003","779.78","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","6-(4-Methoxyphenyl)-6<i>H</i>-indolo[2,3-b]quinoxaline","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C42 H30 N6 O2 -","2","1","","Hung, Tran Quang; Hoang, Do Huy; Thang, Ngo Ngoc; Dang, Tuan Thanh; Ayub, Khurshid; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Flechsig, Gerd-Uwe; Langer, Peter","Palladium catalyzed synthesis and physical properties of indolo[2,3-b]quinoxalines.","Organic & biomolecular chemistry","2014","12","32","6151","6166","10.1039/c4ob00841c","","","0.71073","MoKα","","0.1439","0.0583","","","0.1007","0.132","","","","","","1.011","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153928","7.3149","0.0003","15.0792","0.0008","16.8977","0.0008","72.116","0.002","88.582","0.002","77.75","0.002","1731.78","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","6-(3-Phenylpropyl)-6<i>H</i>-indolo[2,3-b]quinoxaline","","- C23 H19 N3 -","- C23 H19 N3 -","- C92 H76 N12 -","4","2","","Hung, Tran Quang; Hoang, Do Huy; Thang, Ngo Ngoc; Dang, Tuan Thanh; Ayub, Khurshid; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Flechsig, Gerd-Uwe; Langer, Peter","Palladium catalyzed synthesis and physical properties of indolo[2,3-b]quinoxalines.","Organic & biomolecular chemistry","2014","12","32","6151","6166","10.1039/c4ob00841c","","","0.71073","MoKα","","0.11","0.0528","","","0.1173","0.145","","","","","","1.025","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153929","10.6","0.004","12.434","0.005","16.898","0.006","90","","90","","90","","2227.2","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O6 S -","- C24 H25 N O6 S -","- C96 H100 N4 O24 S4 -","4","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Enantioselective synthesis of γ-tetrasubstituted nitrosulfonyl carboxylates and amides vial-tert-leucine-derived-squaramide catalyzed conjugate addition of nitrosulfones to acrylates and acrylamides.","Organic & biomolecular chemistry","2014","12","33","6425","6431","10.1039/c4ob00344f","","","0.71073","MoKα","","0.0419","0.0381","","","0.0867","0.0885","","","","","","1.032","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153930","9.1435","0.0017","6.0132","0.0011","23.209","0.005","90","","90.53","0.003","90","","1276","0.4","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N O S -","- C13 H14 Cl N O S -","- C52 H56 Cl4 N4 O4 S4 -","4","1","","Stephens, David E.; Chavez, Gabriel; Valdes, Martin; Dovalina, Monica; Arman, Hadi D.; Larionov, Oleg V.","Synthetic and mechanistic aspects of the regioselective base-mediated reaction of perfluoroalkyl- and perfluoroarylsilanes with heterocyclic N-oxides.","Organic & biomolecular chemistry","2014","12","32","6190","6199","10.1039/c4ob01088d","","","0.71073","MoKα","","0.0397","0.0372","","","0.0993","0.1019","","","","","","1.003","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153931","9.1083","0.0018","9.872","0.002","16.583","0.003","90","","101.24","0.03","90","","1462.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C88 H56 N8 -","4","1","","Gong, Peng; Xue, Pengchong; Qian, Chong; Zhang, Zhenqi; Lu, Ran","Balanced π-π interactions directing the self-assembly of indolocarbazole-based low molecular mass organogelators.","Organic & biomolecular chemistry","2014","12","32","6134","6144","10.1039/c4ob00873a","","","0.71073","MoKα","","0.081","0.0526","","","0.1222","0.1342","","","","","","1.003","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153932","42.672","0.017","14.426","0.006","25.267","0.01","90","","110.3","0.005","90","","14588","10","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H112 Cl4 N4 Pd2 -","- C138 H112 Cl4 N4 Pd2 -","- C552 H448 Cl16 N16 Pd8 -","4","0.5","","Lesieur, Mathieu; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","[Pd(μ-Cl)Cl(IPr*)]2: a highly hindered pre-catalyst for the synthesis of tetra-ortho-substituted biaryls via Grignard reagent cross-coupling.","Organic & biomolecular chemistry","2014","12","30","5586","5589","10.1039/c4ob01269k","","","0.71075","MoKα","","","0.2385","","","","0.5675","","","","","","2.162","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153933","5.9048","0.0014","20.852","0.005","9.218","0.002","90","","94.46","0.004","90","","1131.5","0.5","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H24 O2 S -","- C28 H24 O2 S -","- C56 H48 O4 S2 -","2","1","","Liu, Saiwen; Tang, Lichang; Chen, Hui; Zhao, Feng; Deng, Guo-Jun","Iron-catalyzed tetrasubstituted alkene formation from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2014","12","32","6076","6079","10.1039/c4ob00816b","","","0.71073","MoKα","","0.0519","0.0471","","","0.1023","0.1055","","","","","","1.079","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153934","9.694","0.003","9.672","0.003","27.021","0.008","90","","95.745","0.003","90","","2520.8","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O4 S -","- C30 H28 O4 S -","- C120 H112 O16 S4 -","4","1","","Liu, Saiwen; Tang, Lichang; Chen, Hui; Zhao, Feng; Deng, Guo-Jun","Iron-catalyzed tetrasubstituted alkene formation from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2014","12","32","6076","6079","10.1039/c4ob00816b","","","0.71073","MoKα","","0.079","0.0687","","","0.1406","0.1459","","","","","","1.181","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153935","8.38","0.003","9.942","0.004","19.911","0.007","87.992","0.007","88.509","0.007","72.843","0.007","1583.9","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H31 Cl I N O6 S -","- C34 H31 Cl I N O6 S -","- C68 H62 Cl2 I2 N2 O12 S2 -","2","1","","Wu, Jing; Wang, Dongping; Wang, Haolong; Wu, Fan; Li, Xincheng; Wan, Boshun","Facile synthesis of 5H-benzo[b]carbazol-6-yl ketones via sequential reaction of Cu-catalyzed Friedel-Crafts alkylation, iodine-promoted cyclization, nucleophilic substitution and aromatization.","Organic & biomolecular chemistry","2014","12","35","6806","6811","10.1039/c4ob00815d","","","0.71073","MoKα","","0.0893","0.0499","","","0.1329","0.1837","","","","","","1.002","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153936","6.1142","0.0012","12.283","0.003","5.6061","0.0011","90","","107.7","0.03","90","","401.09","0.16","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 O4 -","- C10 H6 O4 -","- C20 H12 O8 -","2","0.5","","Korshin, Edward E.; Leitus, Gregory M.; Bendikov, Michael","Convenient access to readily soluble symmetrical dialkyl-substituted α-oligofurans.","Organic & biomolecular chemistry","2014","12","34","6661","6671","10.1039/c4ob00898g","","","0.71073","MoKα","","0.0421","0.0365","","","0.1062","0.1124","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153937","17.4725","0.001","8.0638","0.0004","24.9462","0.0014","90","","109.224","0.001","90","","3318.8","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br N O2 -","- C18 H18 Br N O2 -","- C144 H144 Br8 N8 O16 -","8","2","","Wei, Enxiang; Liu, Bing; Lin, Shaoxia; Liang, Fushun","Multicomponent reaction of chalcones, malononitrile and DMF leading to γ-ketoamides.","Organic & biomolecular chemistry","2014","12","33","6389","6392","10.1039/c4ob00971a","","","0.71073","MoKα","","0.0642","0.0409","","","0.0903","0.0994","","","","","","0.989","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153938","19.6835","0.0002","8.2719","0.0001","31.373","0.0003","90","","90","","90","","5108.15","0.09","290","2","290","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H36 Cl N2 Ni P -","- C26 H36 Cl N2 Ni P -","- C208 H288 Cl8 N16 Ni8 P8 -","8","2","","Wu, Dan; Wang, Zhong-Xia","P,N,N-Pincer nickel-catalyzed cross-coupling of aryl fluorides and chlorides.","Organic & biomolecular chemistry","2014","12","33","6414","6424","10.1039/c4ob01041h","","","1.54184","CuKα","","0.0326","0.0311","","","0.084","0.0856","","","","","","1.033","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153939","8.4396","0.0006","10.7479","0.0007","11.8458","0.0007","104.955","0.006","96.292","0.005","96.603","0.005","1020.31","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C50 H42 N2 O8 -","2","1","","Sakthivel, Karuppusamy; Srinivasan, Kannupal","Synthesis of 3,3-disubstituted-2,3-dihydroazanaphthoquinones via simultaneous alkyne oxidation and nitrile hydration of ortho-alkynylarenenitriles.","Organic & biomolecular chemistry","2014","12","33","6440","6446","10.1039/c4ob00852a","","","0.71073","MoKα","","0.1113","0.0558","","","0.117","0.1386","","","","","","1.015","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153940","8.7172","0.0013","9.5695","0.0016","26.86","0.005","88.821","0.007","89.825","0.009","71.559","0.006","2125.1","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","3-CH3C(O)NH-TtBuCorrCu","","","- C51 H50 Cu N5 O -","- C51 H50 Cu N5 O -","- C102 H100 Cu2 N10 O2 -","2","1","","Stefanelli, M.; Mancini, M.; Raggio, M.; Nardis, S.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.","3-NO2-5,10,15-triarylcorrolato-Cu as a versatile platform for synthesis of novel 3-functionalized corrole derivatives.","Organic & biomolecular chemistry","2014","12","32","6200","6207","10.1039/c4ob01247j","","","1.54178","CuKα","","0.0759","0.0727","","","0.1866","0.1892","","","","","","1.059","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153941","9.167","0.0002","13.2568","0.0003","15.2701","0.0004","90","","90","","90","","1855.7","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N3 O3 -","- C21 H27 N3 O3 -","- C84 H108 N12 O12 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","1.54178","CuKα","","0.045","0.0449","","","0.1232","0.1236","","","","","","1.042","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153942","7.3581","0.0012","9.136","0.0016","23.005","0.004","90","","90","","90","","1546.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl N2 O4 -","- C17 H17 Cl N2 O4 -","- C68 H68 Cl4 N8 O16 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","0.71073","MoKα","","0.0329","0.0284","","","0.068","0.0702","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153943","6.8411","0.0003","12.9417","0.0006","16.7006","0.0008","90","","90","","90","","1478.6","0.12","175","2","175","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","1.54178","CuKα","","0.0541","0.054","","","0.132","0.132","","","","","","1.106","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153944","8.1091","0.0002","11.2247","0.0003","11.0425","0.0004","90","","106.116","0.001","90","","965.61","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17.9 H27.58 Br2 N2 O1.9 -","- C17.888 H27.552 Br2 N2 O1.888 -","- C35.776 H55.104 Br4 N4 O3.776 -","2","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","0.71073","MoKα","","0.0412","0.0393","","","0.104","0.1051","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153945","30.245","0.006","14.537","0.003","10.379","0.002","90","","90","","90","","4563.4","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H28 B N O4 S -","- C22 H28 B N O4 S -","- C176 H224 B8 N8 O32 S8 -","8","1","","He, Guangke; Chen, Shan; Wang, Qiang; Huang, Hai; Zhang, Qijun; Zhang, Dongming; Zhang, Rong; Zhu, Hongjun","Studies on copper(i)-catalyzed highly regio- and stereo-selective hydroboration of alkynamides.","Organic & biomolecular chemistry","2014","12","31","5945","5953","10.1039/c4ob00979g","","","0.71073","MoKα","","0.1949","0.068","","","0.1238","0.1719","","","","","","1.002","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153946","12.1328","0.0011","13.7151","0.0015","10.0433","0.0007","90","","90","","90","","1671.2","0.3","290","2","290","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H13 Br Cl3 N O2 -","- C13 H13 Br Cl3 N O2 -","- C52 H52 Br4 Cl12 N4 O8 -","4","1","","Zhu, Rui; Yu, Kai; Gu, Zhenhua","N-Bromoacetamide-mediated domino cyclization and elimination of homoallylic trichloroacetimidates: a novel approach toward the synthesis of 1-bromo-2-amino-3-butene derivatives.","Organic & biomolecular chemistry","2014","12","34","6653","6660","10.1039/c4ob01126k","","","1.54184","CuKα","","0.0715","0.0596","","","0.1598","0.1768","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153947","9.6034","0.0005","15.7805","0.0008","19.7861","0.001","90","","90","","90","","2998.5","0.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1R,3aS,6R,6aR)-1-(2-bromophenyl)-6-phenyl-hexahydrofuro[3,4-c]furan","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C144 H136 Br8 O16 -","8","1","","Subba Reddy, B. V.; Ramana Reddy, M.; Sridhar, B.; Singarapu, Kiran Kumar","Acetal-initiated Prins bicyclization for the synthesis of hexahydrofuro-[3,4-c]furan lignans and octahydropyrano[3,4-c]pyran derivatives.","Organic & biomolecular chemistry","2014","12","26","4754","4762","10.1039/c4ob00305e","","","0.71073","MoKα","","0.0405","0.0314","","","0.0824","0.0903","","","","","","1.082","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153948","11.211","0.0012","16.7616","0.0018","18.3398","0.0019","90","","90","","90","","3446.3","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,4aS,8S,8aS)-1-(2-bromophenyl)-8-phenyl-octahydropyrano[3,4-c]pyran","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C160 H168 Br8 O16 -","8","2","","Subba Reddy, B. V.; Ramana Reddy, M.; Sridhar, B.; Singarapu, Kiran Kumar","Acetal-initiated Prins bicyclization for the synthesis of hexahydrofuro-[3,4-c]furan lignans and octahydropyrano[3,4-c]pyran derivatives.","Organic & biomolecular chemistry","2014","12","26","4754","4762","10.1039/c4ob00305e","","","0.71073","MoKα","","0.0431","0.0344","","","0.0881","0.0912","","","","","","0.974","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153949","8.856","0.001","13.861","0.001","10.868","0.001","90","","92.41","0.01","90","","1332.9","0.2","293","2","293","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Gassner, Cemena; Hesse, Ronny; Schmidt, Arndt W.; Knölker, Hans-Joachim","Total synthesis of the cyclic monoterpenoid pyrano[3,2-a]carbazole alkaloids derived from 2-hydroxy-6-methylcarbazole.","Organic & biomolecular chemistry","2014","12","33","6490","6499","10.1039/c4ob01151a","","x-ray","0.71073","MoKα","","0.0556","0.0436","","","0.1205","0.1318","","","","","","1.063","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153950","11.9849","0.0008","8.8043","0.0006","14.3967","0.001","90","","93.67","0.002","90","","1516.01","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O2 -","- C18 H14 Br N O2 -","- C72 H56 Br4 N4 O8 -","4","1","","Wei, Lai; Liu, Lu; Zhang, Junliang","Scandium-catalyzed tandem selective oxirane ring-opening/Friedel-Crafts alkylation: a facile access to [1,4]oxazino[4,3-a]indoles and 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazines.","Organic & biomolecular chemistry","2014","12","35","6869","6877","10.1039/c4ob01057d","","","0.71073","MoKα","","0.052","0.0375","","","0.0923","0.1024","","","","","","1.021","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153951","6.668","0.0016","19.172","0.003","14.717","0.002","90","","96.264","0.019","90","","1870.2","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N -","- C17 H13 N -","- C102 H78 N6 -","6","1.5","","Gong, Liang; Xing, Li-Juan; Xu, Tong; Zhu, Xue-Ping; Zhou, Wen; Kang, Ning; Wang, Bin","Metal-free oxidative olefination of primary amines with benzylic C-H bonds through direct deamination and C-H bond activation.","Organic & biomolecular chemistry","2014","12","34","6557","6560","10.1039/c4ob01025f","","","0.71075","MoKα","","0.0751","0.0723","","","0.152","0.1536","","","","","","1.235","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7153952","11.1108","0.00007","14.8838","0.0001","17.8512","0.0001","90","","90.9022","0.0006","90","","2951.7","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O16 -","- C32 H30 O16 -","- C128 H120 O64 -","4","2","","Wu, Hao Chen; Ge, Hui Ming; Zang, Le Yun; Bei, Yun Cheng; Niu, Zhi Yuan; Wei, Wei; Feng, Xiu Jing; Ding, Sen; Ng, Seik Weng; Shen, Ping Ping; Tan, Ren Xiang","Diaporine, a novel endophyte-derived regulator of macrophage differentiation.","Organic & biomolecular chemistry","2014","12","34","6545","6548","10.1039/c4ob01123f","","","1.54184","CuKα","","0.0273","0.027","","","0.073","0.0733","","","","","","1.017","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153953","15.769","0.003","18.047","0.003","18.752","0.003","102.985","0.003","91.397","0.002","91.223","0.003","5196.5","1.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H107 F12 N8 O14 P2 S2 -","- C89 H107 F12 N8 O14 P2 S2 -","- C178 H214 F24 N16 O28 P4 S4 -","2","1","","Hu, Fang; Huang, Juanyun; Cao, Meijiao; Chen, Zhao; Yang, Ying-Wei; Liu, Sheng Hua; Yin, Jun","Dithienylethene-based rotaxanes: synthesis, characterization and properties.","Organic & biomolecular chemistry","2014","12","39","7712","7720","10.1039/c4ob01213e","","","0.71073","MoKα","","0.129","0.0698","","","0.1945","0.2242","","","","","","0.926","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153954","10.812","0.003","11.923","0.003","18.961","0.005","90","","93.509","0.009","90","","2439.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O4 S -","- C25 H29 N O4 S -","- C100 H116 N4 O16 S4 -","4","1","","Saikia, Anil K.; Indukuri, Kiran; Das, Jagadish","Stereoselective synthesis of O-tosyl azabicyclic derivatives via aza Prins reaction of endocyclic N-acyliminium ions: application to the total synthesis of (±)-epi-indolizidine 167B and 209D.","Organic & biomolecular chemistry","2014","12","36","7026","7035","10.1039/c4ob01130a","","","0.71073","MoKα","","0.0674","0.0467","","","0.1265","0.1433","","","","","","0.949","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153955","15.7738","0.0007","7.7296","0.0004","17.0325","0.0007","90","","104.216","0.005","90","","2013.1","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O2 -","- C25 H21 N3 O2 -","- C100 H84 N12 O8 -","4","1","","Xue, Pengchong; Yao, Boqi; Zhang, Yuan; Chen, Peng; Li, Kechang; Liu, Baijun; Lu, Ran","A large dipole moment to promote gelation for 4-nitrophenylacrylonitrile derivatives with gelation-induced emission enhancement properties.","Organic & biomolecular chemistry","2014","12","36","7110","7118","10.1039/c4ob00768a","","","0.71073","MoKα","","0.0853","0.0514","","","0.1035","0.1254","","","","","","1.039","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153956","8.1838","0.0006","8.4093","0.0006","18.4956","0.0015","83.381","0.007","77.526","0.004","63.273","0.005","1109.8","0.15","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N4 O7 -","- C23 H26 N4 O7 -","- C46 H52 N8 O14 -","2","1","","Bourgault, Jean Paul; Maddirala, Amarendar Reddy; Andreana, Peter R.","A one-pot multicomponent coupling/cyclization for natural product herbicide (±)-thaxtomin A.","Organic & biomolecular chemistry","2014","12","41","8125","8127","10.1039/c4ob01148a","","","1.54178","CuKα","","0.0482","0.0406","","","0.1042","0.1097","","","","","","1.041","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7153957","13.4151","0.0003","11.3424","0.0003","14.8403","0.0003","90","","111.247","0.001","90","","2104.61","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","()-Thaxtomin A","","- C22.2 H22.8 N4 O6.2 -","- C22 H21.3 N4.4 O6 -","- C88 H85.2 N17.6 O24 -","4","1","","Bourgault, Jean Paul; Maddirala, Amarendar Reddy; Andreana, Peter R.","A one-pot multicomponent coupling/cyclization for natural product herbicide (±)-thaxtomin A.","Organic & biomolecular chemistry","2014","12","41","8125","8127","10.1039/c4ob01148a","","","1.54178","CuKα","","0.0431","0.0417","","","0.1095","0.1106","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153958","10.3575","0.0002","10.0578","0.0003","26.8362","0.0007","90","","97.191","0.001","90","","2773.64","0.12","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C104 H160 O40 -","8","2","","Mondal, Soumik; Sureshan, Kana M.","Total syntheses and structural validation of lincitol A, lincitol B, uvacalol I, uvacalol J, and uvacalol K.","Organic & biomolecular chemistry","2014","12","37","7279","7289","10.1039/c4ob01329h","","","0.71073","MoKα","","0.0507","0.0409","","","0.1154","0.1236","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153959","11.2697","0.00015","5.81937","0.00007","16.56046","0.00018","90","","99.6391","0.0011","90","","1070.74","0.02","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Si2 -","- C24 H26 Si2 -","- C48 H52 Si4 -","2","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.0352","0.0327","","","0.0937","0.0963","","","","","","1.063","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153960","23.6928","0.0002","8.6313","0.0001","24.1592","0.0002","90","","117.042","0.0005","90","","4400.4","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Si2 -","- C24 H26 Si2 -","- C192 H208 Si16 -","8","2","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.71073","MoKα","","0.0395","0.0335","","","0.0936","0.098","","","","","","1.039","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153961","10.93715","0.00019","11.26203","0.00016","9.96535","0.00016","90","","105.935","0.0017","90","","1180.31","0.03","100.01","0.15","100.01","0.15","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 -","- C18 H10 -","- C72 H40 -","4","1","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.0489","0.0428","","","0.1229","0.1277","","","","","","1.068","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153962","11.4064","0.0002","6.07068","0.00012","16.7481","0.0004","90","","104.563","0.002","90","","1122.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Sn2 -","- C24 H26 Sn2 -","- C48 H52 Sn4 -","2","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.026","0.0225","","","0.0532","0.0558","","","","","","1.068","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153963","15.3809","0.0003","15.4149","0.0003","21.7315","0.0004","80.6982","0.0015","74.6369","0.0017","86.9597","0.0015","4902.7","0.17","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C25.5 H29.5 Sn2 -","- C25.5 H29.5 Sn2 -","- C204 H236 Sn16 -","8","4","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.0311","0.0238","","","0.0465","0.049","","","","","","1.032","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7153964","8.564","0.003","10.244","0.004","12.957","0.005","79.45","0.03","82.013","0.015","76.34","0.011","1080.4","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H52 Si4 -","- C48 H52 Si4 -","- C48 H52 Si4 -","1","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","1.54178","CuKα","","0.035","0.0335","","","0.0901","0.0912","","","","","","1.062","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153965","7.5761","0.0006","10.0339","0.0008","12.7454","0.0008","110.973","0.005","99.303","0.005","101.673","0.004","856.46","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 Cl4 Si2 -","- C38 H32 Cl4 Si2 -","- C38 H32 Cl4 Si2 -","1","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.71073","MoKα","","0.0398","0.0347","","","0.0876","0.0915","","","","","","1.039","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153966","6.121","0.005","30.224","0.005","8.524","0.005","90","0.005","104.105","0.005","90","0.005","1529.4","1.6","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Fe N O -","- C19 H17 Fe N O -","- C76 H68 Fe4 N4 O4 -","4","1","","Teng, Qiang; Hu, Jianfeng; Ling, Li; Sun, Ranfeng; Dong, Junyang; Chen, Shufeng; Zhang, Hao","Copper-catalyzed direct alkylation of 1,3-azoles with N-tosylhydrazones bearing a ferrocenyl group: a novel method for the synthesis of ferrocenyl-based ligands.","Organic & biomolecular chemistry","2014","12","39","7721","7727","10.1039/c4ob01093k","","","0.71073","MoKα","","0.0997","0.0965","","","0.1923","0.1937","","","","","","1.14","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153967","38.7","1","9.0001","0.0013","33.32","0.0003","90","","109.69","","90","","10927","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H100 Br2 N8 Ni2 -","- C96 H100 Br2 N8 Ni2 -","- C384 H400 Br8 N32 Ni8 -","4","1","","Feng, Chuan-Mi; Zhu, Yi-Zhou; Zang, Yun; Tong, Yu-Zhang; Zheng, Jian-Yu","Switchable regioselectivity in the PIFA-BF3·Et2O mediated oxidative coupling of meso-brominated Ni(ii) porphyrin.","Organic & biomolecular chemistry","2014","12","36","6990","6993","10.1039/c4ob01517g","","","0.71073","MoKα","","0.141","0.0994","","","0.2754","0.309","","","","","","1.023","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153968","11.4323","0.0013","9.4544","0.001","11.5317","0.0013","90","","107.545","0.002","90","","1188.4","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O9 -","- C23 H32 O9 -","- C46 H64 O18 -","2","1","","Pazos, G.; Pérez, M; Gándara, Z; Gómez, G; Fall, Y.","Synthesis of a chiral building block for highly functionalized polycyclic ethers.","Organic & biomolecular chemistry","2014","12","39","7750","7757","10.1039/c4ob01439a","","","0.71073","MoKα","","0.1185","0.087","","","0.2557","0.2876","","","","","","1.067","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153969","8.2827","0.0003","8.325","0.0003","15.0662","0.0007","98.787","0.002","93.426","0.002","114.758","0.002","923.4","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C44 H38 N2 O8 -","2","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71073","MoKα","","0.0546","0.0439","","","0.1041","0.1119","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153970","13.687","0.0005","8.3874","0.0003","17.8893","0.0006","90","","112.109","0.002","90","","1902.66","0.12","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71073","MoKα","","0.0895","0.058","","","0.1486","0.1798","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153971","8.1294","0.0004","8.2212","0.0004","19.5982","0.001","87.31","0.002","87.214","0.002","82.233","0.002","1295.19","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N2 O5 S -","- C29 H26 N2 O5 S -","- C58 H52 N4 O10 S2 -","2","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71073","MoKα","","0.0641","0.0423","","","0.1057","0.1182","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153972","7.44","0.005","10.513","0.007","13.472","0.009","83.084","0.017","86.07","0.02","86.796","0.018","1042.4","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O7 S -","- C22 H23 N O7 S -","- C44 H46 N2 O14 S2 -","2","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71075","MoKα","","","0.0769","","","","0.1773","","","","","","1.239","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153973","6.2466","0.0004","6.8285","0.0006","16.0444","0.0015","90","","94.122","0.008","90","","682.6","0.1","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O5 -","- C12 H22 O5 -","- C24 H44 O10 -","2","1","","Ma, Xiaofeng; Tang, Qin; Ke, Jun; Zhang, Jichao; Yang, Xinglong; Shen, Xudong; Shao, Huawu","A neighboring group participation strategy: direct and highly diastereoselective synthesis of 2-substituted and 2,2-bisubstituted perhydrofuro[2,3-b]pyran derivatives.","Organic & biomolecular chemistry","2014","12","37","7381","7388","10.1039/c4ob00642a","","","0.7107","MoKα","","0.1057","0.0748","","","0.1934","0.2271","","","","","","1.064","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153974","6.7501","0.0005","17.4344","0.0013","19.5104","0.0014","90","","90","","90","","2296.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydroxy Pyrrolidine","","","- C21 H31 N O7 S -","- C21 H31 N O7 S -","- C84 H124 N4 O28 S4 -","4","1","","Tiwari, Dipak Kumar; Bharadwaj, Kishor Chandra; Puranik, Vedavati G.; Tiwari, Dharmendra Kumar","Divergent total synthesis of 1,6,8a-tri-epi-castanospermine and 1-deoxy-6,8a-di-epi-castanospermine from substituted azetidin-2-one (β-lactam), involving a cascade sequence of reactions as a key step.","Organic & biomolecular chemistry","2014","12","37","7389","7396","10.1039/c4ob00948g","","","0.71073","MoKα","","0.0739","0.0448","","","0.0997","0.111","","","","","","1.024","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153975","12.1519","0.0004","13.1631","0.0004","13.3186","0.0004","90","","99.585","0.001","90","","2100.66","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 N2 O3 P Ru -","- C20 H29 N2 O3 P Ru -","- C80 H116 N8 O12 P4 Ru4 -","4","1","","Profir, Irina; Beller, Matthias; Fleischer, Ivana","Novel ruthenium-catalyst for hydroesterification of olefins with formates.","Organic & biomolecular chemistry","2014","12","36","6972","6976","10.1039/c4ob01246a","","","0.71073","MoKα","","0.0195","0.0172","","","0.0439","0.0457","","","","","","1.057","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153976","7.9952","0.0015","6.8431","0.0013","12.251","0.002","90","","93.085","0.004","90","","669.3","0.2","120","2","120.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","2,6-dimethyl-4-(Bpin)-pyridine","","","- C13 H20 B N O2 -","- C13 H20 B N O2 -","- C26 H40 B2 N2 O4 -","2","0.5","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.062","0.0546","","","0.1382","0.1432","","","","","","1.077","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153977","6.5381","0.0004","21.3579","0.0012","9.4192","0.0005","90","","93.137","0.002","90","","1313.33","0.13","120","2","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2,3-Dichloro-5-(Bpin)-pyridine","","","- C11 H14 B Cl2 N O2 -","- C11 H14 B Cl2 N O2 -","- C44 H56 B4 Cl8 N4 O8 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0411","0.0313","","","0.0782","0.0826","","","","","","1.055","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153978","7.476","0.0006","20.8897","0.0014","23.5283","0.0017","90","","90","","90","","3674.4","0.5","120","2","120.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-methyl-4-phenyl-pyridine","","- C12 H11 N -","- C12 H11 N -","- C192 H176 N16 -","16","2","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0678","0.0391","","","0.0942","0.1069","","","","","","1.007","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153979","11.2252","0.0016","15.438","0.002","7.6917","0.0012","90","","107.874","0.004","90","","1268.6","0.3","120","2","120.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethyl-4-naphthalen-1-yl-pyridine","","- C17 H15 N -","- C17 H15 N -","- C68 H60 N4 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0885","0.0452","","","0.1063","0.1215","","","","","","0.905","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153980","20.849","0.004","6.6532","0.0012","15.874","0.003","90","","90","","90","","2201.9","0.7","120","2","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","4,4'-bis(Bpin)-2,2'-bipyridine","","- C22 H30 B2 N2 O4 -","- C22 H30 B2 N2 O4 -","- C88 H120 B8 N8 O16 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.1096","0.0693","","","0.1501","0.1724","","","","","","1.029","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153981","7.1352","0.0019","12.292","0.003","11.175","0.003","90","","94.168","0.004","90","","977.5","0.4","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-dimethy-5-thiophen-2-yl-pyrazine","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C40 H40 N8 S4 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0482","0.0372","","","0.1006","0.1076","","","","","","1.103","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153982","5.6994","0.0004","12.1727","0.0008","13.5102","0.0009","73.506","0.003","88.323","0.004","89.037","0.004","898.31","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N3 O6 -","- C16 H25 N3 O6 -","- C32 H50 N6 O12 -","2","1","","Wang, Shuo; Aston, Karl; Koeller, Kevin J.; Harris, G. Davis; Rath, Nigam P.; Bashkin, James K.; Wilson, W. David","Modulation of DNA-polyamide interaction by β-alanine substitutions: a study of positional effects on binding affinity, kinetics and thermodynamics.","Organic & biomolecular chemistry","2014","12","38","7523","7536","10.1039/c4ob01456a","","","0.71073","MoKα","","0.0511","0.0383","","","0.0957","0.1043","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153983","8.6327","0.0004","8.4467","0.0004","24.0094","0.0012","90","","95.597","0.003","90","","1742.37","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N3 O6 -","- C15 H25 N3 O6 -","- C60 H100 N12 O24 -","4","1","","Wang, Shuo; Aston, Karl; Koeller, Kevin J.; Harris, G. Davis; Rath, Nigam P.; Bashkin, James K.; Wilson, W. David","Modulation of DNA-polyamide interaction by β-alanine substitutions: a study of positional effects on binding affinity, kinetics and thermodynamics.","Organic & biomolecular chemistry","2014","12","38","7523","7536","10.1039/c4ob01456a","","","0.71073","MoKα","","0.055","0.0423","","","0.1087","0.1168","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153984","12.2285","0.0009","8.4147","0.0006","18.9773","0.0015","90","","104.836","0.004","90","","1887.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C68 H108 N12 O24 -","4","1","","Wang, Shuo; Aston, Karl; Koeller, Kevin J.; Harris, G. Davis; Rath, Nigam P.; Bashkin, James K.; Wilson, W. David","Modulation of DNA-polyamide interaction by β-alanine substitutions: a study of positional effects on binding affinity, kinetics and thermodynamics.","Organic & biomolecular chemistry","2014","12","38","7523","7536","10.1039/c4ob01456a","","","0.71073","MoKα","","0.0652","0.0391","","","0.0888","0.1018","","","","","","1.022","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153985","7.7003","0.0006","8.1539","0.0007","16.0222","0.0013","90","","91.409","0.003","90","","1005.69","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C42 H62 N2 O8 -","2","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.0637","0.0448","","","0.101","0.1113","","","","","","1.028","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153986","11.8362","0.0005","12.2518","0.0005","19.0137","0.0007","90","","90","","90","","2757.27","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Cl3 N O5 -","- C26 H38 Cl3 N O5 -","- C104 H152 Cl12 N4 O20 -","4","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.1166","0.0955","","","0.2488","0.272","","","","","","1.073","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153987","6.8794","0.0005","14.9305","0.001","22.2706","0.0015","90","","90","","90","","2287.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O4 -","- C25 H37 N O4 -","- C100 H148 N4 O16 -","4","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.0713","0.0437","","","0.0867","0.0992","","","","","","1.027","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153988","14.4314","0.0017","8.8602","0.001","19.841","0.002","90","","100.647","0.002","90","","2493.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Br N3 O6 S2 -","- C24 H24 Br N3 O6 S2 -","- C96 H96 Br4 N12 O24 S8 -","4","1","","Zhou, Jing; Yeung, Ying-Yeung","Diastereoselective synthesis of functionalized pyrrolidines through N-bromosuccinimide-induced aziridine ring expansion cascade of cinnamylaziridine.","Organic & biomolecular chemistry","2014","12","38","7482","7485","10.1039/c4ob01384k","","","0.71073","MoKα","","0.1134","0.0653","","","0.1479","0.1682","","","","","","1.049","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153992","7.028","0.0011","12.5922","0.0019","14.037","0.002","90","","90","","90","","1242.2","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S,5R,6S,7R)-7-methyl-3-phenyl-4,5,6,7-tetrahydro-[1,2,3]triazolo [1,5-a]pyridine-4,5,6-triol","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","","Putapatri, Siddamal Reddy; Kanwal, Abhinav; Sridhar, Balasubramanian; Banerjee, Sanjay K.; Kantevari, Srinivas","Synthesis of l-rhamnose derived chiral bicyclic triazoles as novel sodium-glucose transporter (SGLT) inhibitors.","Organic & biomolecular chemistry","2014","12","42","8415","8421","10.1039/c4ob01319k","","","0.71073","MoKα","","0.0286","0.0277","","","0.072","0.0727","","","","","","1.06","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153993","7.555","0.0005","11.987","0.0008","15.0918","0.0011","90","","90","","90","","1366.74","0.16","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S,5R,6S,7R)-7-methyl-3-p-tolyl-4,5,6,7-tetrahydro-[1,2,3]triazolo[1,5-a] pyridine-4,5,6-triol","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","","Putapatri, Siddamal Reddy; Kanwal, Abhinav; Sridhar, Balasubramanian; Banerjee, Sanjay K.; Kantevari, Srinivas","Synthesis of l-rhamnose derived chiral bicyclic triazoles as novel sodium-glucose transporter (SGLT) inhibitors.","Organic & biomolecular chemistry","2014","12","42","8415","8421","10.1039/c4ob01319k","","","0.71073","MoKα","","0.0291","0.0282","","","0.0717","0.0725","","","","","","1.083","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153994","8.8993","0.0006","22.5466","0.0014","8.191","0.0005","90","","108.827","0.003","90","","1555.58","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; Babu, K. Naresh; Sharique, Mohd; Biswas, Soumava; Bisai, Alakesh","Friedel-Crafts alkylations of electron-rich aromatics with 3-hydroxy-2-oxindoles: scope and limitations.","Organic & biomolecular chemistry","2014","12","41","8152","8173","10.1039/c4ob01264j","","","0.71073","MoKα","","0.0401","0.035","","","0.089","0.0931","","","","","","1.032","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153995","8.91","0.003","9.482","0.003","14.09","0.005","101.315","0.016","101.159","0.016","110.48","0.017","1048","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cl3 N O2 -","- C22 H18 Cl3 N O2 -","- C44 H36 Cl6 N2 O4 -","2","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; Babu, K. Naresh; Sharique, Mohd; Biswas, Soumava; Bisai, Alakesh","Friedel-Crafts alkylations of electron-rich aromatics with 3-hydroxy-2-oxindoles: scope and limitations.","Organic & biomolecular chemistry","2014","12","41","8152","8173","10.1039/c4ob01264j","","","0.71073","MoKα","","0.1051","0.0675","","","0.1197","0.1362","","","","","","1.162","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153996","15.1024","0.0009","14.8289","0.0008","11.8933","0.0007","90","","105.668","0.0017","90","","2564.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 N2 O5 -","- C27 H34 N2 O5 -","- C108 H136 N8 O20 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; Babu, K. Naresh; Sharique, Mohd; Biswas, Soumava; Bisai, Alakesh","Friedel-Crafts alkylations of electron-rich aromatics with 3-hydroxy-2-oxindoles: scope and limitations.","Organic & biomolecular chemistry","2014","12","41","8152","8173","10.1039/c4ob01264j","","","0.71073","MoKα","","0.0437","0.0388","","","0.1415","0.1477","","","","","","1.291","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153997","6.627","0.0003","7.9739","0.0003","32.9949","0.0014","90","","90","","90","","1743.55","0.13","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl N O4 -","- C19 H18 Cl N O4 -","- C76 H72 Cl4 N4 O16 -","4","1","","Takahashi, Masaki; Murata, Yusuke; Ishida, Masahiro; Yagishita, Fumitoshi; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi","Catalytic amide allylation of α-ketoesters: extremely high enantioselective synthesis of ester functionalised α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2014","12","39","7686","7689","10.1039/c4ob01508h","","","1.54178","CuKα","","0.0417","0.04","","","0.1097","0.1107","","","","","","1.026","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153998","8.9358","0.0018","9.326","0.002","12.002","0.003","106.67","0.003","101.817","0.004","93.1","0.004","931","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 Br Cl2 N2 O2 S -","- C17 H13 Br Cl2 N2 O2 S -","- C34 H26 Br2 Cl4 N4 O4 S2 -","2","1","","Liu, Xiaozu; Hu, Qinghong; Yuan, Zeli; Liu, Peijun","AcOH-mediated dichloroimination of indoles using chloramine-B: a facile access to 2,3-functionalized indolines.","Organic & biomolecular chemistry","2014","12","38","7494","7497","10.1039/c4ob01179a","","","0.71073","MoKα","","0.0941","0.077","","","0.226","0.2417","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153999","6.255","0.0018","18.15","0.0012","16.43","0.0012","90","","96.804","0.003","90","","1852.1","0.6","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H14 F5 N O2 S2 -","- C12 H14 F5 N O2 S2 -","- C48 H56 F20 N4 O8 S8 -","4","2","","Xie, Chen; Wu, Lingmin; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Generalized access to fluorinated β-keto amino compounds through asymmetric additions of α,α-difluoroenolates to CF3-sulfinylimine.","Organic & biomolecular chemistry","2014","12","39","7836","7843","10.1039/c4ob01575d","","","0.71073","MoKα","","0.0593","0.0562","","","0.136","0.1362","","","","","","1.091","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7154000","8.3228","0.0008","8.8321","0.0009","10.8845","0.0011","86.924","0.003","69.716","0.002","76.474","0.003","729.33","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C38 H28 O6 -","2","1","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.061","0.0521","","","0.1588","0.1764","","","","","","1.096","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154001","9.5269","0.0006","10.7294","0.0007","17.4823","0.0013","90","","90","","90","","1787","0.2","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.0361","0.0322","","","0.0798","0.0832","","","","","","1.044","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154002","5.8687","0.0003","10.7289","0.0006","27.8199","0.0012","90","","95.947","0.003","90","","1742.24","0.15","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 I N O6 -","- C19 H14 I N O6 -","- C76 H56 I4 N4 O24 -","4","2","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.1246","0.1087","","","0.3129","0.329","","","","","","1.141","","","","has coordinates,has disorder","182989","2020-10-21","18:00:00",""
"7154003","8.2342","0.0002","37.9905","0.0008","10.4703","0.0002","90","","90.591","0.001","90","","3275.16","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 I O2 -","- C19 H15 I O2 -","- C152 H120 I8 O16 -","8","2","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.0342","0.0292","","","0.0863","0.1067","","","","","","1.321","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154004","13.1132","0.0016","7.6905","0.0009","28.214","0.004","90","","103.057","0.002","90","","2771.7","0.6","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C136 H96 O24 S8 -","8","2","","Akiyama, Hirotaka; Inoue, Takafumi; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Multiple optical properties of a naphthoquinone pigment: 2-methyl-3-(hydroxyphenylthio)-1,4-naphthalenedione.","Organic & biomolecular chemistry","2014","12","40","7965","7970","10.1039/c4ob01058b","","","0.71073","MoKα","","0.0706","0.0624","","","0.1785","0.1842","","","","","","1.107","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154005","10.9","0.003","5.5397","0.0012","11.358","0.003","90","","100.555","0.004","90","","674.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C34 H24 O6 S2 -","2","1","","Akiyama, Hirotaka; Inoue, Takafumi; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Multiple optical properties of a naphthoquinone pigment: 2-methyl-3-(hydroxyphenylthio)-1,4-naphthalenedione.","Organic & biomolecular chemistry","2014","12","40","7965","7970","10.1039/c4ob01058b","","","0.71075","MoKα","","0.0406","0.0392","","","0.0917","0.0924","","","","","","1.042","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154006","7.6999","0.0005","8.0494","0.0006","9.507","0.0007","104.034","0.006","112.572","0.005","100.066","0.006","503.71","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 I O3 -","- C9 H11 I O3 -","- C18 H22 I2 O6 -","2","1","","Matovic, R.; Bihelovic, F.; Gruden-Pavlovic, M; Saicic, R. N.","Total synthesis and biological evaluation of atrop-O-benzyl-desmethylabyssomicin C.","Organic & biomolecular chemistry","2014","12","39","7682","7685","10.1039/c4ob01436g","","","0.71073","MoKα","","0.0593","0.0501","","","0.1039","0.1076","","","","","","1.085","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154007","7.681","0.003","12.525","0.005","14.693","0.006","90","","90","","90","","1413.5","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-Methyl-3-(phenylsulfonyl)-1-propylpyrrolidin-2-one","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","1","","Clarke, Leslie Ann; Ring, Aoife; Ford, Alan; Sinha, Abhijeet S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed C-H insertion reaction of 2-sulfonyl-2-diazoacetamides to form γ-lactams.","Organic & biomolecular chemistry","2014","12","38","7612","7628","10.1039/c4ob01430h","","","0.71073","MoKα","","0.0257","0.0244","","","0.0626","0.0634","","","","","","1.051","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154008","5.5457","0.0003","8.9659","0.0003","42.4254","0.0013","90","","90","","90","","2109.48","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N5 O5 -","- C23 H25 N5 O5 -","- C92 H100 N20 O20 -","4","1","","Kovaliov, Marina; Wachtel, Chaim; Yavin, Eylon; Fischer, Bilha","Synthesis and evaluation of a photoresponsive quencher for fluorescent hybridization probes.","Organic & biomolecular chemistry","2014","12","39","7844","7858","10.1039/c4ob01185f","","","0.71073","MoKα","","0.0472","0.0388","","","0.0982","0.1028","","","","","","1.046","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154009","9.6111","0.0014","9.9681","0.0014","13.23","0.0018","95.407","0.003","100.437","0.003","109.697","0.003","1157","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Br N2 O5 -","- C24 H25 Br N2 O5 -","- C48 H50 Br2 N4 O10 -","2","1","","Zhao, Xuan; Li, Tian-Ze; Qian, Jing-Ying; Sha, Feng; Wu, Xin-Yan","Enantioselective aza-Morita-Baylis-Hillman reaction between acrylates and N-Boc isatin ketimines: asymmetric construction of chiral 3-substituted-3-aminooxindoles.","Organic & biomolecular chemistry","2014","12","40","8072","8078","10.1039/c4ob01358a","","","0.71073","MoKα","","0.0599","0.047","","","0.1324","0.1425","","","","","","1","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154010","9.3185","0.0002","11.847","0.0002","13.2263","0.0003","94.2169","0.0009","90.9044","0.0009","109.43","0.0011","1372","0.05","150","","150","","","","","","","","syn","5","P -1","-P 1","2","","","","- C30 H22 Cl3 N3 O4 -","- C30 H22 Cl3 N3 O4 -","- C60 H44 Cl6 N6 O8 -","2","1","","Knipe, Peter C.; Lingard, Hannah; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","A Lewis acid-mediated conformational switch.","Organic & biomolecular chemistry","2014","12","40","7937","7941","10.1039/c4ob01556h","","","0.71073","MoKα","","0.084","0.0693","","0.1303","0.1173","0.1303","","","","","","1.0492","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7154011","7.2029","0.0007","9.499","0.0009","19.3231","0.0019","81.188","0.001","84.179","0.002","79.417","0.002","1280.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H8 B F2 N3 O -","- C15 H8 B F2 N3 O -","- C60 H32 B4 F8 N12 O4 -","4","2","","Liu, Hui; Lu, Hua; Wu, Fan; Li, Zhifang; Kobayashi, Nagao; Shen, Zhen","Synthesis and spectroscopic properties of novel meso-cyano boron-pyridyl-isoindoline dyes.","Organic & biomolecular chemistry","2014","12","41","8223","8229","10.1039/c4ob01077a","","","0.71073","MoKα","","0.0556","0.0407","","","0.1318","0.1595","","","","","","1.115","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154012","6.4067","0.0006","7.2419","0.0007","32.409","0.003","90","","90","","90","","1503.7","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H10 B F2 N3 O -","- C19 H10 B F2 N3 O -","- C76 H40 B4 F8 N12 O4 -","4","1","","Liu, Hui; Lu, Hua; Wu, Fan; Li, Zhifang; Kobayashi, Nagao; Shen, Zhen","Synthesis and spectroscopic properties of novel meso-cyano boron-pyridyl-isoindoline dyes.","Organic & biomolecular chemistry","2014","12","41","8223","8229","10.1039/c4ob01077a","","","0.71073","MoKα","","0.0274","0.0264","","","0.0653","0.0659","","","","","","1.069","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154013","12.371","0.004","7.489","0.002","15.557","0.005","90","","112.019","0.009","90","","1336.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","","Mal, Dipakranjan; Roy, Joyeeta; Biradha, Kumar","Regiodivergent and short total synthesis of calothrixins.","Organic & biomolecular chemistry","2014","12","41","8196","8203","10.1039/c4ob01309c","","","0.71073","MoKα","","0.1552","0.054","","","0.1326","0.1728","","","","","","0.827","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154014","9.198","0.0003","13.3225","0.0003","10.6301","0.0003","90","","100.318","0.003","90","","1281.55","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[(1-methylcyclohex-1-en-4-yl)-methyloxy]-4-methylthiazole-2(3H)-thione","","- C12 H17 N O S2 -","- C12 H17 N O S2 -","- C48 H68 N4 O4 S8 -","4","1","","Schur, Christine; Kelm, Harald; Gottwald, Thomas; Ludwig, Arne; Kneuer, Rainer; Hartung, Jens","Annulated and bridged tetrahydrofurans from alkenoxyl radical cyclization.","Organic & biomolecular chemistry","2014","12","41","8288","8307","10.1039/c4ob01266f","","x-ray","0.71073","MoKα","","0.0547","0.0373","","","0.0812","0.0891","","","","","","1.009","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154015","9.5179","0.0016","16.883","0.003","9.7407","0.0017","90","","104.744","0.01","90","","1513.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RAUL006","","","- C18 H21 N O -","- C17.975 H20.975 N O -","- C71.9 H83.9 N4 O4 -","4","1","","Pérez-Ruiz, Raúl; Sáez, Jose A; Jiménez, M Consuelo; Miranda, Miguel A.","Cycloreversion of β-lactams via photoinduced electron transfer.","Organic & biomolecular chemistry","2014","12","42","8428","8432","10.1039/c4ob01416b","","x-ray","0.71073","MoKα","","0.2028","0.156","","","0.3367","0.3598","","","","","","1.158","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154016","5.546","0.003","20.507","0.006","8.248","0.003","90","","100.72","0.03","90","","921.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RAUL007","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Pérez-Ruiz, Raúl; Sáez, Jose A; Jiménez, M Consuelo; Miranda, Miguel A.","Cycloreversion of β-lactams via photoinduced electron transfer.","Organic & biomolecular chemistry","2014","12","42","8428","8432","10.1039/c4ob01416b","","x-ray","0.71073","MoKα","","0.1306","0.083","","","0.2147","0.2534","","","","","","0.989","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154017","11.1583","0.0018","28.871","0.005","14.242","0.003","90","","94.651","0.003","90","","4573","1.4","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 Cl3 N2 O2 -","- C51 H49 Cl3 N2 O2 -","- C204 H196 Cl12 N8 O8 -","4","1","","Katoono, Ryo; Kusaka, Keiichi; Kawai, Shunsuke; Tanaka, Yuki; Hanada, Keisuke; Nehira, Tatsuo; Fujiwara, Kenshu; Suzuki, Takanori","Chiroptical molecular propellers based on hexakis(phenylethynyl)benzene through the complexation-induced intramolecular transmission of local point chirality.","Organic & biomolecular chemistry","2014","12","47","9532","9538","10.1039/c4ob01601g","","","0.71075","MoKα","","","0.1139","","","","0.3462","","","","","","1.341","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154018","15.1038","0.0016","15.2027","0.0016","17.797","0.002","89.71","0.004","81.484","0.003","86.143","0.004","4032.3","0.8","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C102 H74 N6 O7 -","- C102 H72 N6 O7 -","- C204 H144 N12 O14 -","2","1","","Katoono, Ryo; Kusaka, Keiichi; Kawai, Shunsuke; Tanaka, Yuki; Hanada, Keisuke; Nehira, Tatsuo; Fujiwara, Kenshu; Suzuki, Takanori","Chiroptical molecular propellers based on hexakis(phenylethynyl)benzene through the complexation-induced intramolecular transmission of local point chirality.","Organic & biomolecular chemistry","2014","12","47","9532","9538","10.1039/c4ob01601g","","","0.71075","MoKα","","","0.1147","","","","0.3124","","","","","","2.054","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154019","12.291","0.002","17.31","0.003","11.563","0.002","90","","95.536","0.005","90","","2448.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 O4 -","- C64 H58 O4 -","- C128 H116 O8 -","2","0.5","","Vanga, Devendar Goud; Santra, Mithun; Keerthi, Ashok; Valiyaveettil, Suresh","Synthesis and photophysical properties of pyrene-based green fluorescent dyes: butterfly-shaped architectures.","Organic & biomolecular chemistry","2014","12","40","7914","7918","10.1039/c4ob01509f","","","0.71073","MoKα","","0.1044","0.0775","","","0.1815","0.1964","","","","","","1.029","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154020","9.8987","0.0008","24.374","0.002","10.0794","0.0009","90","","105.82","0.002","90","","2339.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 F4 I O3 S -","- C23 H21 F4 I O3 S -","- C92 H84 F16 I4 O12 S4 -","4","1","","Li, Jian; Wang, Hongni; Sun, Jiangtao; Yang, Yang; Liu, Li","Synthesis of phenanthridine derivatives via cascade annulation of diaryliodonium salts and nitriles.","Organic & biomolecular chemistry","2014","12","40","7904","7908","10.1039/c4ob01504e","","","0.71073","MoKα","","0.0586","0.0398","","","0.1048","0.1419","","","","","","1.137","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154021","6.0469","0.0002","9.1864","0.0003","9.4011","0.0003","110.41","0.002","96.98","0.002","92.353","0.002","483.85","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 F N O -","- C11 H12 F N O -","- C22 H24 F2 N2 O2 -","2","1","","Cogswell, Thomas J.; Donald, Craig S.; Long, De-Liang; Marquez, Rodolfo","Short and efficient synthesis of fluorinated δ-lactams.","Organic & biomolecular chemistry","2015","13","3","717","728","10.1039/c4ob01547a","","","0.71073","MoKα","","0.0396","0.0349","","","0.0883","0.0921","","","","","","1.086","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154022","9.7645","0.0009","7.469","0.0007","11.4907","0.0011","90","","95.351","0.002","90","","834.38","0.14","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N O5 S -","- C17 H17 N O5 S -","- C34 H34 N2 O10 S2 -","2","1","","Ge, Li-Shi; Wang, Zheng-Lin; An, Xing-Lan; Luo, Xiaoyan; Deng, Wei-Ping","Direct synthesis of polysubstituted 2-aminothiophenes by Cu(ii)-catalyzed addition/oxidative cyclization of alkynoates with thioamides.","Organic & biomolecular chemistry","2014","12","42","8473","8479","10.1039/c4ob01534g","","","0.71073","MoKα","","0.0362","0.0333","","","0.0841","0.0866","","","","","","1.022","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154023","19.5996","0.0002","20.3256","0.0003","20.7522","0.0002","90","","91.354","0.001","90","","8264.82","0.17","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H51 B F4 Ir N2 P -","- C47 H51 B F4 Ir N2 P -","- C376 H408 B8 F32 Ir8 N16 P8 -","8","2","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","0.71073","MoKα","","0.0633","0.0323","","","0.0578","0.07","","","","","","1.036","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154024","17.2768","0.0004","17.2947","0.0003","17.8826","0.0004","109.21","0.002","106.118","0.002","109.13","0.002","4299.3","0.2","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H51 F3 Ir N2 O3 P S -","- C48 H51 F3 Ir N2 O3 P S -","- C192 H204 F12 Ir4 N8 O12 P4 S4 -","4","2","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","0.71073","MoKα","","0.0405","0.0293","","","0.0653","0.0714","","","","","","1.032","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154025","12.516","0.0003","14.3186","0.0004","20.8639","0.0005","84.989","0.002","77.642","0.002","84.507","0.002","3627.04","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H63 B F24 Ir N2 P -","- C79 H63 B F24 Ir N2 P -","- C158 H126 B2 F48 Ir2 N4 P2 -","2","1","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","0.71073","MoKα","","0.0707","0.0472","","","0.1085","0.1165","","","","","","0.977","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154026","20.4198","0.0005","11.9065","0.0002","23.6916","0.0005","90","","114.629","0.003","90","","5236.1","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H37 B F24 N2 -","- C53 H37 B F24 N2 -","- C212 H148 B4 F96 N8 -","4","1","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","1.5418","CuKα","","0.0707","0.0598","","","0.1595","0.1708","","","","","","1.055","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154027","10.054","0.0015","16.853","0.002","23.794","0.003","90","","90","","90","","4031.7","0.9","263","","263","","","","","","","","Chemical Synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H60 O16 -","- C43 H60 O16 -","- C172 H240 O64 -","4","1","","Ding, Chunyong; Wang, Lili; Chen, Haijun; Wild, Christopher; Ye, Na; Ding, Ye; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","ent-Kaurane-based regio- and stereoselective inverse electron demand hetero-Diels-Alder reactions: synthesis of dihydropyran-fused diterpenoids.","Organic & biomolecular chemistry","2014","12","42","8442","8452","10.1039/c4ob01040j","","","1.5418","CuKα","","0.0337","0.0334","","0.0922","0.0918","0.0922","","","","","","1.0046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154028","9.4979","0.0008","13.0601","0.001","21.0823","0.0016","90","","90","","90","","2615.1","0.4","263","","263","","","","","","","","Chemical Synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl O7 -","- C28 H37 Cl O7 -","- C112 H148 Cl4 O28 -","4","1","","Ding, Chunyong; Wang, Lili; Chen, Haijun; Wild, Christopher; Ye, Na; Ding, Ye; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","ent-Kaurane-based regio- and stereoselective inverse electron demand hetero-Diels-Alder reactions: synthesis of dihydropyran-fused diterpenoids.","Organic & biomolecular chemistry","2014","12","42","8442","8452","10.1039/c4ob01040j","","","1.5418","CuKα","","0.045","0.0428","","0.1271","0.1245","0.1271","","","","","","0.9531","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154029","5.7933","0.0006","15.9715","0.0017","18.559","0.002","90","","90","","90","","1717.2","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 F3 N2 O2 S -","- C15 H19 F3 N2 O2 S -","- C60 H76 F12 N8 O8 S4 -","4","1","","Qian, Ping; Xie, Chen; Wu, Lingmin; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric synthesis of (3S,1'S)-3-(1-amino-2,2,2-trifluoroethyl)-1-(alkyl)-indolin-2-one derivatives by addition of (S)-N-t-butylsulfinyl-3,3,3-trifluoroacetaldimine to 1-(alkyl)-indolin-2-ones.","Organic & biomolecular chemistry","2014","12","40","7909","7913","10.1039/c4ob01453g","","","0.71073","MoKα","","0.0772","0.0405","","","0.0965","0.1172","","","","","","0.962","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7154030","26.6311","0.0009","26.6311","0.0009","15.8084","0.001","90","","90","","90","","11211.6","0.9","130","0.1","130","0.1","","","","","","","","4","I 4","I 4","79","","","","- C26 H27.5 N6.5 O7 -","- C23 H23 N5 O7 -","- C368 H368 N80 O112 -","16","2","","Gamon, L. F.; White, J. M.; Wille, U.","Oxidative damage of aromatic dipeptides by the environmental oxidants NO2˙ and O3.","Organic & biomolecular chemistry","2014","12","41","8280","8287","10.1039/c4ob01577k","","","1.5418","CuKα","","0.1418","0.0855","","","0.1897","0.2326","","","","","","0.895","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154031","9.6136","0.0009","15.2925","0.0012","17.8493","0.0015","94.364","0.004","105.608","0.004","90.128","0.004","2519.3","0.4","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H11 N O -","- C18 H11 N O -","- C144 H88 N8 O8 -","8","4","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.1755","0.1065","","","0.2702","0.2987","","","","","","1.077","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154032","11.6541","0.001","7.3177","0.0006","33.887","0.003","90","","90","","90","","2889.9","0.4","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C19 H10 F3 N O -","- C19 H10 F3 N O -","- C152 H80 F24 N8 O8 -","8","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.1727","0.0618","","","0.123","0.166","","","","","","0.949","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154033","7.4383","0.001","12.2361","0.0017","27.524","0.003","90","","96.983","0.005","90","","2486.5","0.6","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H22 N2 O2 -","- C36 H22 N2 O2 -","- C144 H88 N8 O8 -","4","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.124","0.0587","","","0.1292","0.1588","","","","","","0.995","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154034","15.9675","0.0006","4.9591","0.0002","16.0534","0.0009","90","","95.093","0.002","90","","1266.16","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N O -","- C18 H11 N O -","- C72 H44 N4 O4 -","4","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.0799","0.0527","","","0.1091","0.122","","","","","","1.033","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154035","7.3551","0.0015","19.227","0.004","8.7515","0.0018","90","","110.65","0.03","90","","1158.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","","He, Haitao; Qi, Chaorong; Ou, Yanglu; Xiong, Wenfang; Hu, Xiaohan; Ren, Yanwei; Jiang, Huanfeng","Base-promoted annulation of α-hydroxy ketones and dimethyl but-2-ynedioate: straightforward access to pyrano[4,3-a]quinolizine-1,4,6(2H)-triones and 2H-pyran-2,5(6H)-diones.","Organic & biomolecular chemistry","2014","12","41","8128","8131","10.1039/c4ob01858c","","","0.71073","MoKα","","0.0616","0.0456","","","0.1347","0.1496","","","","","","1.077","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154036","12.295","0.003","7.7566","0.0016","33.943","0.008","90","","90","","90","","3237.1","1.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C168 H136 N8 O24 -","8","1","","Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas","Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.","Organic & biomolecular chemistry","2014","12","43","8641","8645","10.1039/c4ob01693a","","","0.71073","MoKα","","0.1491","0.0572","","","0.1013","0.1216","","","","","","0.948","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7154037","32.374","0.008","5.404","0.0012","16.122","0.004","90","","114.805","0.009","90","","2560.3","1.1","261","2","261","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas","Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.","Organic & biomolecular chemistry","2014","12","43","8641","8645","10.1039/c4ob01693a","","","0.71073","MoKα","","0.2715","0.0792","","","0.13","0.1825","","","","","","0.951","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7154038","18.491","0.002","5.2471","0.0005","22.346","0.003","90","","90.654","0.004","90","","2168","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C112 H92 N4 O12 -","4","1","","Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas","Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.","Organic & biomolecular chemistry","2014","12","43","8641","8645","10.1039/c4ob01693a","","","0.71073","MoKα","","0.1708","0.055","","","0.1196","0.1541","","","","","","0.986","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7154039","7.804","0.0016","13.07","0.003","8.448","0.0017","90","","108.64","0.03","90","","816.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-1-methylindolin-2-one","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","","Chen, Jinsen; Song, Chao; Chen, Pei; Zhu, Jin","An intermolecular C-H functionalization method for the synthesis of 3-hydroxy-2-oxindoles.","Organic & biomolecular chemistry","2014","12","42","8390","8393","10.1039/c4ob01643b","","","0.71073","MoKα","","0.0825","0.057","","","0.1547","0.1705","","","","","","1.004","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154065","8.937","0.0011","5.0321","0.0002","13.3138","0.0012","90","0.005","96.958","0.008","90","0.006","594.34","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Br2 O4 -","- C10 H10 Br2 O4 -","- C20 H20 Br4 O8 -","2","0.5","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.0623","0.0357","","","0.0568","0.0641","","","","","","1.091","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154066","4.8906","0.0009","9.361","0.002","9.693","0.004","104.639","0.019","101.792","0.002","100.598","0.002","407.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O4 S2 -","- C18 H16 O4 S2 -","- C18 H16 O4 S2 -","1","0.5","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.1656","0.0588","","","0.1092","0.1304","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154067","7.6923","0.0007","46.482","0.006","9.9383","0.0017","90","","112.199","0.011","90","","3290.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H32 O8 S4 -","- C36 H32 O8 S4 -","- C144 H128 O32 S16 -","4","1","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.0978","0.0589","","","0.1564","0.1712","","","","","","1.04","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154068","20.4414","0.0019","6.6136","0.0009","17.1675","0.0011","90","","111.534","0.006","90","","2158.9","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 O8 S2 -","- C22 H20 O8 S2 -","- C88 H80 O32 S8 -","4","0.5","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.0688","0.0494","","","0.1259","0.1426","","","","","","1.051","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154069","9.7823","0.0013","14.5562","0.0006","15.4932","0.0016","90","","98.14","0.11","90","","2183.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O8 S2 -","- C22 H20 O8 S2 -","- C88 H80 O32 S8 -","4","1","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.1672","0.0686","","","0.1765","0.2166","","","","","","1.038","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154070","6.878","","17.926","","24.286","","90","","92.51","","90","","2991.47","","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu N2 O6 S2 -","- C32 H32 Cu N2 O6 S2 -","- C128 H128 Cu4 N8 O24 S8 -","4","1","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.1241","0.0599","","","0.1169","0.1312","","","","","","1.042","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154071","15.263","0.003","28.289","0.005","7.5628","0.0013","90","","93.171","0.01","90","","3260.4","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N2 O4 -","- C42 H38 N2 O4 -","- C168 H152 N8 O16 -","4","1","","Wu, Di; Ge, Haojie; Chen, Zhao; Liang, Jinhua; Huang, Jie; Zhang, Yufeng; Chen, Xiaoqiang; Meng, Xianggao; Liu, Sheng Hua; Yin, Jun","Imides modified benzopicenes: synthesis, solid structure and optoelectronic properties.","Organic & biomolecular chemistry","2014","12","44","8902","8910","10.1039/c4ob01486c","","","1.54178","CuKα","","0.127","0.1105","","","0.301","0.321","","","","","","1.412","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154072","12.7675","0.0002","31.0308","0.0005","7.5593","0.0001","90","","93.996","0.001","90","","2987.61","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 N2 O5 -","- C39 H32 N2 O5 -","- C156 H128 N8 O20 -","4","1","","Wu, Di; Ge, Haojie; Chen, Zhao; Liang, Jinhua; Huang, Jie; Zhang, Yufeng; Chen, Xiaoqiang; Meng, Xianggao; Liu, Sheng Hua; Yin, Jun","Imides modified benzopicenes: synthesis, solid structure and optoelectronic properties.","Organic & biomolecular chemistry","2014","12","44","8902","8910","10.1039/c4ob01486c","","","1.54178","CuKα","","0.065","0.0625","","","0.1466","0.1483","","","","","","1.115","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154073","8.671","0.003","15.948","0.006","15.692","0.006","90","","94.15","0.007","90","","2164.3","1.4","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22.5 H21 Br Cl N2 O2 P -","- C22.5 H21 Br Cl N2 O2 P -","- C90 H84 Br4 Cl4 N8 O8 P4 -","4","2","","Kong, Ling-Pei; Li, Nai-Kai; Zhang, Shao-Yun; Chen, Xiang; Zhao, Min; Zhang, Ya-Fei; Wang, Xing-Wang","Highly enantioselective phosphination and hydrophosphonylation of azomethine imines: using chiral squaramide as a hydrogen bonding organocatalyst.","Organic & biomolecular chemistry","2014","12","43","8656","8670","10.1039/c4ob01472c","","","0.71073","MoKα","","0.0812","0.0655","","","0.1762","0.1936","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154074","11.2169","0.0009","15.8678","0.0013","6.8648","0.0006","90","","107.601","0.003","90","","1164.65","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H5 F3 N2 O4 -","- C11 H5 F3 N2 O4 -","- C44 H20 F12 N8 O16 -","4","1","","Zhang, Li; Zeng, Qin; Mao, Ao; Wu, Ziang; Luo, Tian; Xiao, Yuanjing; Zhang, Junliang","NIS-mediated oxidative cyclization of N-(2-trifluoromethyl-3-alkynyl) hydroxylamines: a facile access to 4-trifluoromethyl-5-acylisoxazoles.","Organic & biomolecular chemistry","2014","12","44","8942","8946","10.1039/c4ob01790k","","","0.71073","MoKα","","0.09","0.0519","","","0.1193","0.1429","","","","","","1.027","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154075","5.3932","0.0008","7.7138","0.0011","49.332","0.007","90","","90","","90","","2052.3","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H37 Cl N O4 -","- C18 H37 Cl N O4 -","- C72 H148 Cl4 N4 O16 -","4","1","","Désiré, J; Mondon, M.; Fontelle, N.; Nakagawa, S.; Hirokami, Y.; Adachi, I.; Iwaki, R.; Fleet, G. W. J.; Alonzi, D. S.; Twigg, G.; Butters, T. D.; Bertrand, J.; Cendret, V.; Becq, F.; Norez, C.; Marrot, J.; Kato, A.; Blériot, Y","N- and C-alkylation of seven-membered iminosugars generates potent glucocerebrosidase inhibitors and F508del-CFTR correctors.","Organic & biomolecular chemistry","2014","12","44","8977","8996","10.1039/c4ob00325j","","","0.71073","MoKα","","0.123","0.1146","","","0.3128","0.3183","","","","","","1.081","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154076","13.861","0.003","9.623","0.002","17.3","0.03","90","","128.57","0.05","90","","1804","3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Challa, Chandrasekhar; Vellekkatt, Jamsheena; Ravindran, Jaice; Lankalapalli, Ravi S.","A metal-free one-pot cascade synthesis of highly functionalized biaryl-2-carbaldehydes.","Organic & biomolecular chemistry","2014","12","43","8588","8592","10.1039/c4ob01829j","","","0.71073","MoKα","","0.1493","0.0708","","","0.159","0.2013","","","","","","0.759","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154077","9.0217","0.0007","13.8727","0.0015","15.2216","0.0013","90","","90","","90","","1905.1","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3S,3aR,4S)-ethyl 4-(benzyloxy)-2-((E)-carbamoyldiazenyl)-2-methylhexahydropyrrolo[1,2-b]isoxazole-3-carboxylate","","- C18 H24 N4 O5 -","- C18 H24 N4 O5 -","- C72 H96 N16 O20 -","4","1","","Majer, Roberta; Konechnaya, Olga; Delso, Ignacio; Tejero, Tomas; Attanasi, Orazio A.; Santeusanio, Stefania; Merino, Pedro","Highly diastereoselective 1,3-dipolar cycloadditions of chiral non-racemic nitrones to 1,2-diaza-1,3-dienes: an experimental and computational investigation.","Organic & biomolecular chemistry","2014","12","44","8888","8901","10.1039/c4ob01371a","","","0.71073","MoKα","","0.136","0.073","","","0.0936","0.1185","","","","","","0.966","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154078","11.9298","0.0003","5.8381","0.0002","13.6572","0.0003","90","","94.667","0.002","90","","948.03","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C40 H40 N4 O12 -","2","1","","Cheng, Shuanghua; Yu, Shouyun","Enantioselective synthesis of 3-substituted 1,2-oxazinanes via organocatalytic intramolecular aza-Michael addition.","Organic & biomolecular chemistry","2014","12","43","8607","8610","10.1039/c4ob01646g","","","1.54178","CuKα","","0.0701","0.0649","","","0.1697","0.1772","","","","","","1.071","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154079","7.5625","0.0006","8.5844","0.0006","14.9024","0.0015","105.447","0.004","98.731","0.005","99.813","0.004","898.84","0.13","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 Si -","- C21 H24 Si -","- C42 H48 Si2 -","2","1","","Tamke, Sergej; Daniliuc, Constantin-G; Paradies, Jan","Frustrated Lewis pair catalyzed hydrosilylation and hydrosilane mediated hydrogenation of fulvenes.","Organic & biomolecular chemistry","2014","12","45","9139","9144","10.1039/c4ob01346h","","","1.54178","CuKα","","0.0626","0.0568","","","0.1526","0.1581","","","","","","1.063","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154080","8.9295","0.0007","13.0992","0.0013","19.384","0.002","90","","90","","90","","2267.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C112 H108 N4 O12 -","4","1","","Ariyarathna, Yamuna; Tunge, Jon A.","Decarboxylative allylations of ester enolate equivalents.","Organic & biomolecular chemistry","2014","12","42","8386","8389","10.1039/c4ob01752h","","","1.54178","CuKα","","0.0765","0.0579","","","0.1421","0.1542","","","","","","1.057","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154081","8.8916","0.0003","34.6623","0.0015","8.5392","0.0003","90","","96.831","0.002","90","","2613.13","0.17","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N O5 -","- C29 H37 N O5 -","- C116 H148 N4 O20 -","4","1","","Muthusamy, Sengodagounder; Karikalan, Thangaraju","Rhodium(ii) catalyzed synthesis of macrocycles incorporating oxindole via O-H/N-H insertion reactions.","Organic & biomolecular chemistry","2014","12","45","9243","9256","10.1039/c4ob01671h","","","0.71073","MoKα","","0.1308","0.0848","","","","0.28","","","","","","1.6651","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154082","7.9479","0.0002","9.0065","0.0002","14.445","0.0003","75.8","0.001","77.803","0.001","72.644","0.001","946.06","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","macrocycle","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Muthusamy, Sengodagounder; Karikalan, Thangaraju","Rhodium(ii) catalyzed synthesis of macrocycles incorporating oxindole via O-H/N-H insertion reactions.","Organic & biomolecular chemistry","2014","12","45","9243","9256","10.1039/c4ob01671h","","","0.71073","MoKα","","0.0843","0.0528","","","0.1785","0.2239","","","","","","0.844","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154083","4.433","0.006","13.761","0.01","10.298","0.01","90","","92.05","0.12","90","","627.8","1.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H17 Cl O2 -","- C14 H15 Cl O2 -","- C28 H30 Cl2 O4 -","2","2","","Chanda, Tanmoy; Chowdhury, Sushobhan; Koley, Suvajit; Anand, Namrata; Singh, Maya Shankar","Lewis acid promoted construction of chromen-4-one and isoflavone scaffolds via regio- and chemoselective domino Friedel-Crafts acylation/Allan-Robinson reaction.","Organic & biomolecular chemistry","2014","12","45","9216","9222","10.1039/c4ob01743a","","","0.71073","MoKα","","0.0657","0.0459","","","0.1124","0.1344","","","","","","0.982","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154084","14.234","0.004","4.0143","0.001","22.047","0.005","90","","90","","90","","1259.8","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H13 Cl O3 -","- C14 H13 Cl O3 -","- C56 H52 Cl4 O12 -","4","1","","Chanda, Tanmoy; Chowdhury, Sushobhan; Koley, Suvajit; Anand, Namrata; Singh, Maya Shankar","Lewis acid promoted construction of chromen-4-one and isoflavone scaffolds via regio- and chemoselective domino Friedel-Crafts acylation/Allan-Robinson reaction.","Organic & biomolecular chemistry","2014","12","45","9216","9222","10.1039/c4ob01743a","","","0.71073","MoKα","","0.1896","0.0958","","","0.2314","0.3824","","","","","","1.13","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154085","8.7007","0.0012","15.1805","0.0019","8.686","0.001","90","","104.082","0.004","90","","1112.8","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","wx-4","4p","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Yin, Yong; Wu, Xun; Han, Hong-Wei; Sha, Shao; Wang, She-Feng; Qiao, Fang; Lu, Ai-Min; Lv, Peng-Cheng; Zhu, Hai-Liang","Discovery and synthesis of a novel series of potent, selective inhibitors of the PI3Kα: 2-alkyl-chromeno[4,3-c]pyrazol-4(2H)-one derivatives.","Organic & biomolecular chemistry","2014","12","45","9157","9165","10.1039/c4ob01589d","","","0.71073","MoKα","","0.0639","0.0446","","","0.1102","0.1239","","","","","","1.05","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7154086","8.2975","0.0016","11.26","0.002","21.17","0.004","90","","90","","90","","1977.9","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F N2 O2 -","- C25 H23 F N2 O2 -","- C100 H92 F4 N8 O8 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.0508","0.0407","","","0.0787","0.0819","","","","","","1.004","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154087","9.38","0.007","16.703","0.012","16.766","0.012","90","","90","","90","","2627","3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl2 F N3 Ni O3 -","- C28 H26 Cl2 F N3 Ni O3 -","- C112 H104 Cl8 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1947","0.0879","","","0.1596","0.2024","","","","","","0.868","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154088","9.1183","0.0019","14.255","0.003","23.374","0.005","90","","90","","90","","3038.2","1.1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl4 F N3 Ni O3 -","- C28 H26 F N3 Ni O3 -","- C112 H104 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1159","0.0716","","","0.1515","0.1645","","","","","","0.869","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154089","9.054","0.003","14.587","0.004","12.85","0.004","90","","101.348","0.006","90","","1663.9","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H40 F N3 Ni O5 -","- C36 H40 F N3 Ni O5 -","- C72 H80 F2 N6 Ni2 O10 -","2","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.094","0.0602","","","0.0964","0.1082","","","","","","0.877","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154090","9.165","0.01","13.957","0.014","23.73","0.03","90","","90","","90","","3035","6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 F N3 Ni O3 -","- C35 H38 F N3 Ni O3 -","- C140 H152 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1468","0.0841","","","0.1441","0.1662","","","","","","0.871","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154091","11.823","0.0015","25.123","0.003","9.6587","0.0013","90","","90","","90","","2868.9","0.6","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C33 H34 F N3 Ni O3 -","- C33 H34 F N3 Ni O3 -","- C132 H136 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1033","0.0584","","","0.0728","0.0836","","","","","","0.779","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154092","11.4718","0.0005","12.9514","0.0005","15.8446","0.0008","90","","90","","90","","2354.13","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0408","0.0353","","","0.0824","0.0873","","","","","","1.062","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154093","10.4301","0.0003","11.8072","0.0003","18.744","0.0005","90","","90","","90","","2308.33","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 N O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0328","0.0315","","","0.0798","0.081","","","","","","1.065","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154094","6.3498","0.0003","19.5019","0.0008","9.5651","0.0005","90","","102.297","0.004","90","","1157.3","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 N0 O7 -","- C26 H38 O7 -","- C52 H76 O14 -","2","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0329","0.031","","","0.0764","0.0783","","","","","","1.057","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154095","8.9982","0.0004","12.36","0.0007","13.3864","0.0008","90","","98.572","0.005","90","","1472.17","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O12.2 -","- C28 H40 O12.2 -","- C56 H80 O24.4 -","2","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0826","0.0699","","","0.2008","0.2219","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154096","22.4413","0.0009","10.7973","0.0006","18.1182","0.0009","90","","102.275","0.005","90","","4289.8","0.4","100","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H56 N4 O5 -","- C51 H56 N4 O5 -","- C204 H224 N16 O20 -","4","0.5","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0587","0.0461","","","0.1032","0.1125","","","","","","1.074","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154097","8.7602","0.0004","10.7729","0.0007","12.2413","0.0007","65.145","0.006","88.691","0.004","83.815","0.004","1041.82","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C48 H48 N4 O4 -","2","1","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0544","0.0429","","","0.0975","0.105","","","","","","1.065","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154098","22.2842","0.001","11.1478","0.0005","18.7003","0.0012","90","","102.746","0.005","90","","4531","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H52 Cl2 F2 N4 O4 -","- C51 H52 Cl2 F2 N4 O4 -","- C204 H208 Cl8 F8 N16 O16 -","4","0.5","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0723","0.0553","","","0.1267","0.1392","","","","","","1.038","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154099","11.9848","0.0009","13.535","0.001","13.8969","0.001","87.087","0.006","72.785","0.006","80.922","0.006","2126.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","2","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0605","0.0464","","","0.105","0.1127","","","","","","1.033","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154100","18.898","0.003","8.9379","0.0015","13.094","0.002","90","","107.023","0.011","90","","2114.8","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H18 Br N3 O5 S2 -","- C16 H18 Br N3 O5 S2 -","- C64 H72 Br4 N12 O20 S8 -","4","1","","Zhang, Huanrui; Wang, Baomin; Cui, Longchen; Li, Ying; Qu, Jingping; Song, Yuming","Organocatalytic enantioselective α-amination of 5-substituted rhodanines: an efficient approach to chiral N,S-acetals.","Organic & biomolecular chemistry","2014","12","45","9097","9100","10.1039/c4ob01921k","","","0.71073","MoKα","","0.0526","0.0372","","","0.0908","0.0975","","","","","","1","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154101","6.3774","0.0003","10.614","0.0005","26.4051","0.0019","90","","103.339","0.006","90","","1739.13","0.18","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Amara, Z.; Bernadat, G.; Venot, P.-E.; Retailleau, P.; Troufflard, C.; Drège, E; Le Bideau, F.; Joseph, D.","Thermodynamic epimeric equilibration and crystallisation-induced dynamic resolution of lobelanine, norlobelanine and related analogues.","Organic & biomolecular chemistry","2014","12","48","9797","9810","10.1039/c4ob01787k","","","1.54187","CuKα","","0.1039","0.0512","","","0.1179","0.1894","","","","","","1.131","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154102","23.678","0.006","14.55","0.002","19.515","0.004","90","","126.678","0.005","90","","5392","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 N O2 -","- C34 H33 N O2 -","- C272 H264 N8 O16 -","8","1","","Amara, Z.; Bernadat, G.; Venot, P.-E.; Retailleau, P.; Troufflard, C.; Drège, E; Le Bideau, F.; Joseph, D.","Thermodynamic epimeric equilibration and crystallisation-induced dynamic resolution of lobelanine, norlobelanine and related analogues.","Organic & biomolecular chemistry","2014","12","48","9797","9810","10.1039/c4ob01787k","","","0.71073","MoKα","","0.0705","0.0486","","","0.1211","0.1384","","","","","","1.045","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154103","5.421","0.002","11.015","0.003","28.258","0.006","90","","100.74","0.004","90","","1657.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Amara, Z.; Bernadat, G.; Venot, P.-E.; Retailleau, P.; Troufflard, C.; Drège, E; Le Bideau, F.; Joseph, D.","Thermodynamic epimeric equilibration and crystallisation-induced dynamic resolution of lobelanine, norlobelanine and related analogues.","Organic & biomolecular chemistry","2014","12","48","9797","9810","10.1039/c4ob01787k","","","0.71073","MoKα","","0.0832","0.0466","","","0.1108","0.1301","","","","","","1.035","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154104","29.664","0.009","6.1441","0.0019","19.888","0.006","90","","121.936","0.004","90","","3076.1","1.6","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","Zhu, Yuequan; Zhang, Min; Yuan, Hongling; Gong, Yuefa","Synthesis of functionalized fulvenes: [3 + 2] annulation of ethyl α-chlorocyclopropaneformates with 1,3-dicarbonyl compounds.","Organic & biomolecular chemistry","2014","12","44","8828","8831","10.1039/c4ob01973c","","","0.71073","MoKα","","0.0817","0.0537","","","0.1359","0.153","","","","","","1.003","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154105","6.462","0.003","21.405","0.002","11.722","0.004","90","","105.001","0.001","90","","1566.1","0.9","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H23 N5 O16 -","- C30 H23 N5 O16 -","- C60 H46 N10 O32 -","2","1","","Coelho, Jaime A. S.; Trindade, Alexandre F.; André, Vânia; Teresa Duarte, M.; Veiros, Luis F.; Afonso, Carlos A. M.","Trienamines derived from 5-substituted furfurals: remote ε-functionalization of 2,4-dienals.","Organic & biomolecular chemistry","2014","12","46","9324","","10.1039/c4ob01759e","","","0.71069","MoKα","","0.0988","0.0544","","","0.1136","0.1284","","","","","","0.967","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154106","10.3833","0.0007","10.5874","0.0007","13.2957","0.0009","90","","111.926","0.003","90","","1355.9","0.16","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N5 O7 -","- C27 H33 N5 O7 -","- C54 H66 N10 O14 -","2","1","","Prasanna, R.; Purushothaman, S.; Raghunathan, R.","Rapid assembly of heterocycle grafted macrocycles via tandem one-pot double 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2014","12","46","9375","","10.1039/c4ob01778a","","","0.71073","MoKα","","0.0592","0.0432","","","0.1031","0.1153","","","","","","1.034","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154107","10.104","0.0004","15.7277","0.0007","10.7107","0.0004","90","","106.895","0.002","90","","1628.6","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H39 N5 O7 -","- C35 H39 N5 O7 -","- C70 H78 N10 O14 -","2","1","","Prasanna, R.; Purushothaman, S.; Raghunathan, R.","Rapid assembly of heterocycle grafted macrocycles via tandem one-pot double 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2014","12","46","9375","","10.1039/c4ob01778a","","","0.71073","MoKα","","0.0585","0.042","","","0.0987","0.1081","","","","","","1.03","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154108","20.584","0.004","16.0252","0.0013","13.038","0.002","90","","128.09","0.03","90","","3384.9","1.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N2 O3.5 S -","- C15 H23 N2 O3.5 S -","- C120 H184 N16 O28 S8 -","8","1","","Díaz Velázquez, Heriberto; Ruiz García, Yara; Vandichel, Matthias; Madder, Annemieke; Verpoort, Francis","Water-soluble NHC-Cu catalysts: applications in click chemistry, bioconjugation and mechanistic analysis.","Organic & biomolecular chemistry","2014","12","46","9350","","10.1039/c4ob01350f","","","0.71073","MoKα","","0.0799","0.0739","","","0.1549","0.1576","","","","","","1.036","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154109","7.3279","0.0009","14.173","0.0017","22.626","0.003","90","","90","","90","","2349.9","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-1-(6-chloro-2,2-dioxido-3,4-dihydrobenzo[e][1,2,3]oxathiazin-4-yl)propan-2-one","","- C10 H10 Cl N O4 S -","- C10 H10 Cl N O4 S -","- C80 H80 Cl8 N8 O32 S8 -","8","2","","Wang, You-Qing; Cui, Xiao-Yu; Ren, Yuan-Yuan; Zhang, Yongna","A highly enantioselective and regioselective organocatalytic direct Mannich reaction of methyl alkyl ketones with cyclic imines benzo[e][1,2,3]oxathiazine 2,2-dioxides.","Organic & biomolecular chemistry","2014","12","45","9101","9104","10.1039/c4ob01902d","","","0.71073","MoKα","","0.0898","0.0463","","","0.0896","0.1048","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154110","6.687","0.002","19.034","0.007","35.511","0.012","90","","90","","90","","4520","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C192 H256 O48 -","16","4","","Shing, Tony K. M.; Wong, Anthony W. H.; Li, Huiyan; Liu, Z. F.; Chan, Paul K. S.","Conformationally locked bicyclo[4.3.0]nonane carbanucleosides: synthesis and bio-evaluation.","Organic & biomolecular chemistry","2014","12","46","9439","","10.1039/c4ob01763c","","","0.71073","MoKα","","0.1291","0.0483","","","0.1059","0.1449","","","","","","1.019","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154111","8.5282","0.0009","10.7576","0.0011","41.024","0.004","90","","90","","90","","3763.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19.5 N5 O3.5 -","- C14 H18.5 N5 O3.5 -","- C112 H148 N40 O28 -","8","2","","Shing, Tony K. M.; Wong, Anthony W. H.; Li, Huiyan; Liu, Z. F.; Chan, Paul K. S.","Conformationally locked bicyclo[4.3.0]nonane carbanucleosides: synthesis and bio-evaluation.","Organic & biomolecular chemistry","2014","12","46","9439","","10.1039/c4ob01763c","","","0.71073","MoKα","","0.192","0.1647","","","0.3716","0.3918","","","","","","1.732","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154112","8.649","0.007","21.553","0.015","9.886","0.008","90","","109.782","0.009","90","","1734","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[2-(4-nitrophenyl)-3-(phenylamino)allylidene]aniline","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Romero-Fernández, María P; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Pseudo-cyclic structures of mono- and di-azaderivatives of malondialdehydes. Synthesis and conformational disentanglement by computational analyses.","Organic & biomolecular chemistry","2014","12","44","8997","9010","10.1039/c4ob01507j","","","0.71073","MoKα","","0.1207","0.0889","","","0.1428","0.1557","","","","","","1.208","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154113","4.1847","0.0019","13.013","0.006","24.919","0.011","90","","93.169","0.008","90","","1354.9","1.1","100","2","100","2","","","","","","","Pedro Cintas","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Romero-Fernández, María P; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Pseudo-cyclic structures of mono- and di-azaderivatives of malondialdehydes. Synthesis and conformational disentanglement by computational analyses.","Organic & biomolecular chemistry","2014","12","44","8997","9010","10.1039/c4ob01507j","","","0.71075","MoKα","","0.0553","0.044","","","0.1033","0.1089","","","","","","1.119","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154114","9.5245","0.0006","10.9766","0.0006","13.0812","0.0003","66.231","0.005","83.209","0.005","83.846","0.005","1240.14","0.12","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl2 Cu N5 O -","- C26 H27 Cl2 Cu N5 O -","- C52 H54 Cl4 Cu2 N10 O2 -","2","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","1.54184","CuKα","","0.0419","0.0376","","","0.0978","0.0996","","","","","","0.987","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154115","27.5775","0.0009","27.9449","0.001","10.4795","0.0004","90","","90","","90","","8076","0.5","173.01","0.1","173.01","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C23 H20 Cd Cl2 N4 -","- C23 H20 Cd Cl2 N4 -","- C276 H240 Cd12 Cl24 N48 -","12","1.5","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","0.71073","MoKα","","0.0752","0.0487","","","0.1309","0.1438","","","","","","0.975","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154116","12.524","0.0003","9.51563","0.00011","16.6958","0.0003","90","","108.479","0.0019","90","","1887.11","0.06","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 N4 Zn -","- C21 H16 Cl2 N4 Zn -","- C84 H64 Cl8 N16 Zn4 -","4","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","1.54184","CuKα","","0.0295","0.0258","","","0.0644","0.0669","","","","","","1.042","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154117","12.9203","0.0002","9.79833","0.00013","16.0669","0.0003","90","","107.204","0.0019","90","","1943.02","0.06","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cd Cl2 N4 -","- C21 H16 Cd Cl2 N4 -","- C84 H64 Cd4 Cl8 N16 -","4","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","1.54184","CuKα","","0.0327","0.0279","","","0.0706","0.0736","","","","","","1.057","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154118","12.941","0.0003","9.8715","0.0002","16.0933","0.0004","90","","107.168","0.003","90","","1964.27","0.08","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 Hg N4 -","- C21 H16 Cl2 Hg N4 -","- C84 H64 Cl8 Hg4 N16 -","4","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","0.71073","MoKα","","0.0358","0.0287","","","0.0643","0.0689","","","","","","1.02","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154119","11.2184","0.0005","11.0939","0.0005","15.1186","0.0007","90","","103.13","0.001","90","","1832.41","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3aa","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong","Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.","Organic & biomolecular chemistry","2014","12","45","9105","9108","10.1039/c4ob01876a","","","0.71073","MoKα","","0.0506","0.04","","","0.0983","0.1053","","","","","","1.019","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154120","17.3636","0.0016","10.3459","0.0009","9.9494","0.001","90","","92.111","0.002","90","","1786.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br N O2 -","- C22 H16 Br N O2 -","- C88 H64 Br4 N4 O8 -","4","1","","Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong","Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.","Organic & biomolecular chemistry","2014","12","45","9105","9108","10.1039/c4ob01876a","","","0.71073","MoKα","","0.0388","0.0256","","","0.0615","0.0786","","","","","","1.13","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154121","25.919","0.003","11.2554","0.0014","11.6261","0.0014","90","","101.271","0.002","90","","3326.3","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 N2 O4 -","- C44 H30 N2 O4 -","- C176 H120 N8 O16 -","4","0.5","","Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong","Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.","Organic & biomolecular chemistry","2014","12","45","9105","9108","10.1039/c4ob01876a","","","0.71073","MoKα","","0.0723","0.0494","","","0.1252","0.1394","","","","","","1.031","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154122","13.4574","0.0005","13.4574","0.0005","23.307","0.002","90","","90","","90","","4220.9","0.4","293","","293","","","","","","","","","4","P 41","P 4w","76","","bicyclo[3.3.1]nonane-2,6-dione","","- C50 H43 N8 O4 -","- C50 H43 N8 O4 -","- C200 H172 N32 O16 -","4","1","","Wixe, Torbjörn; Christensen, Niels Johan; Lidin, Sven; Fristrup, Peter; Wärnmark, Kenneth","A short designed semi-aromatic organic nanotube - synthesis, chiroptical characterization, and host properties.","Organic & biomolecular chemistry","2014","12","44","8930","8941","10.1039/c4ob01683a","","x-ray","0.71073","MoKα","","0.3349","0.0834","","","0.1437","0.2336","","","","1.71","1.71","1.16","","","","has coordinates","201208","2020-10-21","18:00:00",""
"7154123","10.54","0.0018","18.518","0.003","16.641","0.003","90","","98.845","0.003","90","","3209.4","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Cl N2 O6 -","- C38 H33 Cl N2 O6 -","- C152 H132 Cl4 N8 O24 -","4","1","","Feng, Ting-Ting; Huang, Xuan; Liu, Xiong-Li; Jing, De-Hong; Liu, Xiong-Wei; Guo, Feng-Ming; Zhou, Ying; Yuan, Wei-Cheng","Highly regioselective synthesis of 3-alkenyl-oxindole ring-fused 3,3'-disubstituted oxindoles via direct gamma-substitution of Morita-Baylis-Hillman carbonates of isatins with 3-substituted oxindoles.","Organic & biomolecular chemistry","2014","12","46","9366","","10.1039/c4ob01523a","","","0.71073","MoKα","","0.1763","0.0695","","","0.1563","0.202","","","","","","0.944","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154124","11.2629","0.0017","11.9759","0.0019","12.3346","0.0019","81.629","0.002","68.063","0.002","65.327","0.002","1402.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 F N2 O6 -","- C32 H29 F N2 O6 -","- C64 H58 F2 N4 O12 -","2","1","","Feng, Ting-Ting; Huang, Xuan; Liu, Xiong-Li; Jing, De-Hong; Liu, Xiong-Wei; Guo, Feng-Ming; Zhou, Ying; Yuan, Wei-Cheng","Highly regioselective synthesis of 3-alkenyl-oxindole ring-fused 3,3'-disubstituted oxindoles via direct gamma-substitution of Morita-Baylis-Hillman carbonates of isatins with 3-substituted oxindoles.","Organic & biomolecular chemistry","2014","12","46","9366","","10.1039/c4ob01523a","","","0.71073","MoKα","","0.089","0.0556","","","0.1595","0.1842","","","","","","1.018","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154125","17.5165","0.0003","5.8865","0.0001","23.614","0.0004","90","","94.997","0.001","90","","2425.61","0.07","140","2","140","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H27 N3 O2 -","- C32 H27 N3 O2 -","- C128 H108 N12 O8 -","4","1","","Zhang, Hong-Hao; Sun, Xiao-Xue; Liang, Jing; Wang, Yue-Ming; Zhao, Chang-Chun; Shi, Feng","Catalytic asymmetric Povarov reaction of isatin-derived 2-azadienes with 3-vinylindoles.","Organic & biomolecular chemistry","2014","12","47","9539","9546","10.1039/c4ob01741b","","","1.54178","CuKα","","0.0487","0.0441","","","0.1239","0.1322","","","","","","1.105","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154126","13.4156","0.0006","13.4156","0.0006","28.813","0.0014","90","","90","","120","","4491","0.4","173","","173","","","","","","","","","4","P 32","P 32","145","","(R)-N-(1-Phenylethyl)-2-chromonecarboxamide","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C216 H180 N12 O36 -","12","4","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","1.54178","CuKα","","0.0438","0.0438","","","0.1163","0.1164","","","","","","1.025","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154127","5.9167","0.0009","10.9747","0.0017","12.2265","0.0018","64.424","0.0019","82.594","0.0019","89.995","0.0019","708.78","0.19","173","","173","","","","","","","","","4","P 1","P 1","1","","(R)-N-(1-t-Butylethyl)-2-chromonecarboxamide","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","2","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0441","0.0398","","","0.1003","0.1043","","","","","","1.042","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154128","12.2096","0.0009","13.7443","0.001","18.0044","0.0014","90","","90","","90","","3021.4","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","anti-HH Photodimer of (R)-N-(1-phenylethyl)-2-chromonecarboxamide","","- C36 H30 N2 O6 -","- C36 H30 N2 O6 -","- C144 H120 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0604","0.0469","","","0.115","0.1227","","","","","","1.017","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154129","9.7337","0.001","13.9495","0.0014","22.104","0.002","90","","90","","90","","3001.3","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (R)-N-(1-phenylethyl)-2-chromonecarboxamide","","- C36 H30 N2 O6 -","- C36 H30 N2 O6 -","- C144 H120 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0587","0.0424","","","0.0944","0.1111","","","","","","1.005","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154130","7.704","0.018","14.23","0.03","26.5","0.06","90","","90","","90","","2905","11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (R)-N-(1-t-butylethyl)-2-chromonecarboxamide","","- C32 H38 N2 O6 -","- C32 H38 N2 O6 -","- C128 H152 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.1081","0.0629","","","0.1531","0.1907","","","","","","1.006","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154131","8.021","0.003","15.273","0.005","21.484","0.007","90","","90","","90","","2631.9","1.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (S)-N-(1-methoxycarbonylethyl)-2-chromonecarboxamide","","- C28 H26 N2 O10 -","- C28 H26 N2 O10 -","- C112 H104 N8 O40 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0761","0.0535","","","0.1372","0.1564","","","","","","0.896","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154132","12.38","0.005","12.38","0.005","42.393","0.017","90","","90","","120","","5627","4","173","","173","","","","","","","","","4","P 65","P 65","170","","Anti-HH photodimer of (S)-N-(1-methoxycarbonylethyl)-2-chromonecarboxamide","","- C39 H41 N3 O12 -","- C39 H41 N3 O12 -","- C234 H246 N18 O72 -","6","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0865","0.0631","","","0.1416","0.1557","","","","","","0.952","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154133","10.084","0.002","10.408","0.002","26.571","0.006","90","","90","","90","","2788.7","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 Cl N O -","- C32 H36 Cl N O -","- C128 H144 Cl4 N4 O4 -","4","1","","Liu, Yilin; Feng, Xiangqing; Du, Haifeng","Asymmetric synthesis of axially chiral anilides by Pd-catalyzed allylic substitutions with P/olefin ligands.","Organic & biomolecular chemistry","2015","13","1","125","132","10.1039/c4ob01087f","","","0.71073","MoKα","","0.0562","0.0531","","","0.1128","0.1149","","","","","","1.138","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154134","9.779","0.003","10.66","0.004","26.314","0.008","90","","90","","90","","2743.1","1.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4ge","","- C30 H40 Cl N O -","- C30 H40 Cl N O -","- C120 H160 Cl4 N4 O4 -","4","1","","Liu, Yilin; Feng, Xiangqing; Du, Haifeng","Asymmetric synthesis of axially chiral anilides by Pd-catalyzed allylic substitutions with P/olefin ligands.","Organic & biomolecular chemistry","2015","13","1","125","132","10.1039/c4ob01087f","","","0.71073","MoKα","","0.0445","0.0424","","","0.098","0.0991","","","","","","1.126","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154135","32.485","0.003","5.3094","0.0004","11.662","0.0007","90","","91.786","0.007","90","","2010.4","0.3","130","0.1","130","0.1","","","","","","","","4","C 1 2 1","C 2y","5","(4S)-4-Benzyl-3-[(1R,2S)-2-octylcyclopropane-1-oyl]oxazolidinone","","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","","Shah, Sayali; White, Jonathan M.; Williams, Spencer J.","Total syntheses of cis-cyclopropane fatty acids: dihydromalvalic acid, dihydrosterculic acid, lactobacillic acid, and 9,10-methylenehexadecanoic acid.","Organic & biomolecular chemistry","2014","12","46","9427","","10.1039/c4ob01863j","","","1.5418","CuKα","","0.0681","0.0556","","","0.1287","0.1387","","","","","","0.991","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154136","7.7019","0.0004","9.4338","0.0005","10.0092","0.0005","63.0521","0.0008","68.8273","0.0007","71.1657","0.0008","593.34","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","1","","Zhang, Wandi; Haskins, Christopher W.; Yang, Yang; Dai, Mingji","Synthesis of nitriles via palladium-catalyzed water shuffling from amides to acetonitrile.","Organic & biomolecular chemistry","2014","12","45","9109","9112","10.1039/c4ob01825g","","","0.71073","MoKα","","0.0621","0.0543","","","0.1426","0.1503","","","","","","1.06","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154137","13.3524","0.0001","9.2448","0.0001","21.2654","0.0002","90","","91.8315","0.0008","90","","2623.67","0.04","150","","150","","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","2","methyl 2-((2-benzamido-6-(2,5-dimethoxybenzamido)phenyl)ethynyl)benzoate","","- C32 H26 N2 O6 -","- C32 H26 N2 O6 -","- C128 H104 N8 O24 -","4","1","","Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Remote conformational control of a molecular switch via methylation and deprotonation.","Organic & biomolecular chemistry","2014","12","46","9384","","10.1039/c4ob01991a","","","1.5418","CuKα","","0.0389","0.0378","","0.0496","0.049","0.0496","","","","","","1.2313","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154138","11.2591","0.0007","24.5888","0.0004","9.3566","0.0001","90","","108.437","0.008","90","","2457.4","0.2","93","2","93","2","","","100","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Compound 3","methyl 2-((2-benzamido-6-(2-hydroxy-5-methoxybenzamido)phenyl)ethynyl)benzoate","","- C31 H24 N2 O6 -","- C31 H24 N2 O6 -","- C124 H96 N8 O24 -","4","1","","Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Remote conformational control of a molecular switch via methylation and deprotonation.","Organic & biomolecular chemistry","2014","12","46","9384","","10.1039/c4ob01991a","","x-ray","1.54187","CuKα","","0.0345","0.0339","","","0.0882","0.0887","","","","","","1.059","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154139","8.3232","0.0001","15.9988","0.0003","16.915","0.0003","106.384","0.0008","101.55","0.0008","101.955","0.0008","2032.23","0.06","150","","150","","","","100","","","","synthesis","4","P -1","-P 1","2","Compound 5","tetra-n-butylammonium 2-((3-benzamido-2-((2-(methoxycarbonyl)phenyl)ethynyl)phenyl)carbamoyl)-4-methoxyphenolate","","- C47 H59 N3 O6 -","- C47 H59 N3 O6 -","- C94 H118 N6 O12 -","2","1","","Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Remote conformational control of a molecular switch via methylation and deprotonation.","Organic & biomolecular chemistry","2014","12","46","9384","","10.1039/c4ob01991a","","","0.71073","MoKα","","0.0735","0.0441","","0.0856","0.0686","0.0856","","","","","","1.0039","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154140","10.7835","0.0004","8.1115","0.0003","19.3202","0.0007","90","","90.523","0.004","90","","1689.87","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 I N O5 -","- C17 H14 I N O5 -","- C68 H56 I4 N4 O20 -","4","1","","Xia, Xiao-Feng; Gu, Zhen; Liu, Wentao; Wang, Ningning; Wang, Haijun; Xia, Yongmei; Gao, Haiyan; Liu, Xiang","Selective oxygenation of alkynes: a direct approach to diketones and vinyl acetate.","Organic & biomolecular chemistry","2014","12","48","9909","9913","10.1039/c4ob01404a","","","0.71","MoKα","","0.039","0.0321","","","0.0741","0.0793","","","","","","1.028","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154141","10.4383","0.0004","16.5706","0.0007","18.8976","0.0009","86.399","0.004","86.024","0.004","73.657","0.004","3125.9","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 F6 I N3 O3.5 P -","- C29 H30 F6 I N3 O3.5 P -","- C116 H120 F24 I4 N12 O14 P4 -","4","2","","Brazier, John B.; Gibbs, Timothy J. K.; Rowley, Julian H.; Samulis, Leopold; Yau, Sze Chak; Kennedy, Alan R.; Platts, James A.; Tomkinson, Nicholas C. O.","Improving catalyst activity in secondary amine catalysed transformations.","Organic & biomolecular chemistry","2015","13","1","133","141","10.1039/c4ob01916d","","","1.5418","CuKα","","0.0735","0.0564","","","0.1354","0.1501","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154142","12.174","0.002","21.206","0.004","14.57","0.003","90","","92.65","0.03","90","","3757.4","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43.25 H32.5 Cl0.5 F6 O6 -","- C43.25 H32.5 Cl0.5 F6 O6 -","- C173 H130 Cl2 F24 O24 -","4","1","","Chen, Rongshun; Xu, Silong; Fan, Xia; Li, Hanyuan; Tang, Yuhai; He, Zhengjie","Construction of dispirocyclohexanes via amine-catalyzed [2 + 2 + 2] annulations of Morita-Baylis-Hillman acetates with exocyclic alkenes.","Organic & biomolecular chemistry","2015","13","2","398","408","10.1039/c4ob01927j","","","0.71073","MoKα","","0.1068","0.0613","","","0.1365","0.159","","","","","","0.981","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154143","10.53","0.002","13.602","0.003","13.65","0.003","65.69","0.03","80.28","0.03","81.84","0.03","1750.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 N2 O10 -","- C37 H40 N2 O10 -","- C74 H80 N4 O20 -","2","1","","Chen, Rongshun; Xu, Silong; Fan, Xia; Li, Hanyuan; Tang, Yuhai; He, Zhengjie","Construction of dispirocyclohexanes via amine-catalyzed [2 + 2 + 2] annulations of Morita-Baylis-Hillman acetates with exocyclic alkenes.","Organic & biomolecular chemistry","2015","13","2","398","408","10.1039/c4ob01927j","","","0.71073","MoKα","","0.1203","0.0494","","","0.0929","0.1116","","","","","","1.006","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154144","11.012","0.002","13.289","0.003","18.958","0.004","90","","90","","90","","2774.3","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N O5 -","- C33 H33 N O5 -","- C132 H132 N4 O20 -","4","1","","Zanato, Chiara; Watson, Sonia; Bewick, Guy S.; Harrison, William T. A.; Zanda, Matteo","Synthesis and biological evaluation of (-)-kainic acid analogues as phospholipase D-coupled metabotropic glutamate receptor ligands.","Organic & biomolecular chemistry","2014","12","47","9638","9643","10.1039/c4ob02002b","","","1.54187","CuKα","","0.0257","0.0251","","","0.0638","0.0644","","","","","","1.048","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154145","7.8264","0.0016","11.561","0.002","16.718","0.003","96.36","0.03","95.09","0.03","102.82","0.03","1455.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N3 O3 S2 -","- C33 H30 N3 O3 S2 -","- C66 H60 N6 O6 S4 -","2","1","","Zhu, Yu; Shen, Xin-Rui; Tang, Hai-Tao; Lin, Min; Zhan, Zhuang-Ping","Silver(i)-catalyzed annulation for the regioselective synthesis of N-imino-γ-carbolinium ylides from hydrazones of indole-3-carbonyl derivatives and propargylic alcohols.","Organic & biomolecular chemistry","2014","12","47","9514","9518","10.1039/c4ob02020k","","","0.71073","MoKα","","0.0684","0.0502","","","0.1727","0.2362","","","","","","0.97","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154146","10.2471","0.0005","15.4948","0.0008","17.7996","0.0009","90","","105.211","0.005","90","","2727.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N3 O2 S -","- C35 H27 N3 O2 S -","- C140 H108 N12 O8 S4 -","4","1","","Zhu, Yu; Shen, Xin-Rui; Tang, Hai-Tao; Lin, Min; Zhan, Zhuang-Ping","Silver(i)-catalyzed annulation for the regioselective synthesis of N-imino-γ-carbolinium ylides from hydrazones of indole-3-carbonyl derivatives and propargylic alcohols.","Organic & biomolecular chemistry","2014","12","47","9514","9518","10.1039/c4ob02020k","","","0.71073","MoKα","","0.0616","0.045","","","0.1074","0.1175","","","","","","1.029","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154147","9.7902","0.0006","11.9074","0.0007","13.2668","0.0007","77.203","0.004","73.176","0.004","71.42","0.004","1388.92","0.14","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H34 Br Cl2 N O6 S -","- C23 H34 Br Cl2 N O6 S -","- C46 H68 Br2 Cl4 N2 O12 S2 -","2","1","","Fuentes de Arriba, Angel L.; Herrero, Angel Gómez; Rubio, Omayra H.; Monleón, Laura M; Simón Rubio, Luis; Alcázar, Victoria; Sanz, Francisca; Morán, Joaquín R","Chiral recognition with a benzofuran receptor that mimics an oxyanion hole.","Organic & biomolecular chemistry","2015","13","2","493","501","10.1039/c4ob01954g","","","1.54178","CuKα","","0.0852","0.0743","","","0.2204","0.2331","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154148","8.3521","0.0003","14.3086","0.0006","23.7793","0.0007","90","","97.573","0.002","90","","2817","0.18","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H33 Br N3 O6 S -","- C28 H33 Br N3 O6 S -","- C112 H132 Br4 N12 O24 S4 -","4","2","","Fuentes de Arriba, Angel L.; Herrero, Angel Gómez; Rubio, Omayra H.; Monleón, Laura M; Simón Rubio, Luis; Alcázar, Victoria; Sanz, Francisca; Morán, Joaquín R","Chiral recognition with a benzofuran receptor that mimics an oxyanion hole.","Organic & biomolecular chemistry","2015","13","2","493","501","10.1039/c4ob01954g","","","1.54178","CuKα","","0.0624","0.0485","","","0.1467","0.1526","","","","","","1.178","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154149","12.7896","0.0014","13.3917","0.0015","13.448","0.0015","68.542","0.002","63.471","0.001","76.053","0.002","1909.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C80 H80 N8 O16 S4 -","4","2","","Ni, Fan; Yang, Yan; Shu, Wen-Ming; Ma, Jun-Rui; Wu, An-Xin","Brønsted acid promoted addition-cyclization and C-C bond cleavage: a convenient synthesis of 2-amino-5-aroylmethylthiazoles derivatives.","Organic & biomolecular chemistry","2014","12","46","9466","","10.1039/c4ob01519c","","","0.71073","MoKα","","0.0776","0.0487","","","0.1323","0.1718","","","","","","1.06","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154150","24.9085","0.0009","7.8916","0.0003","16.9244","0.0007","90","","98.392","0.002","90","","3291.2","0.2","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","LCLT517B","","","- C27 H56 O6 Si3 -","- C27 H56 O6 Si3 -","- C108 H224 O24 Si12 -","4","1","","Tizón, Lorena; Maneiro, María; Peón, Antonio; Otero, José M; Lence, Emilio; Poza, Sergio; van Raaij, Mark J.; Thompson, Paul; Hawkins, Alastair R.; González-Bello, Concepción","Irreversible covalent modification of type I dehydroquinase with a stable Schiff base.","Organic & biomolecular chemistry","2015","13","3","706","716","10.1039/c4ob01782j","","x-ray","0.71073","MoKα","","0.0704","0.0483","","","0.0857","0.0958","","","","","","1.041","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154151","19.8","0.02","5.863","0.006","20.83","0.02","90","","101.188","0.012","90","","2372","4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 Br N0 O3 P -","- C24 H32 Br O3 P -","- C96 H128 Br4 O12 P4 -","4","2","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1719","0.135","","","0.2983","0.3188","","","","","","1.083","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154152","12.436","0.013","5.7781","0.0007","15.9687","0.0016","90","","92.534","0.001","90","","1146.3","1.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 N0 O4 P -","- C25 H30 O4 P -","- C50 H60 O8 P2 -","2","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1811","0.1367","","","0.3229","0.3557","","","","","","1.092","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154153","5.7766","0.0004","12.208","0.0012","16.2225","0.0015","83.552","0.002","82.785","0.001","78.777","0.001","1108.71","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H37 N0 O3 P -","- C22 H37 O3 P -","- C44 H74 O6 P2 -","2","2","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.0534","0.0435","","","0.0898","0.0973","","","","","","1.032","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154154","5.8926","0.0018","18.289","0.002","22.043","","90","","90","","90","","2375.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O5 P -","- C24 H33 N O5 P -","- C96 H132 N4 O20 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1158","0.0614","","","0.1032","0.1242","","","","","","1.035","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154155","10.4511","0.0012","19.5742","0.0006","11.0005","0.0011","90","","117.362","0.002","90","","1998.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br O3 P -","- C20 H24 Br O3 P -","- C80 H96 Br4 O12 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1627","0.0889","","","0.2117","0.2647","","","","","","1.039","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154156","24.45","0.004","5.8577","0.0007","20.328","0.003","90","","114.063","0.017","90","","2658.4","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H36 O3 P -","- C30 H37 O3 P -","- C120 H148 O12 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1435","0.0707","","","0.1028","0.139","","","","","","1.027","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154157","15.6312","0.0013","5.9562","0.0004","19.6323","0.0017","90","","92.006","0.001","90","","1826.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br O3 P -","- C18 H22 Br O3 P -","- C72 H88 Br4 O12 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.2615","0.1842","","","0.4463","0.4999","","","","","","1.11","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154158","6.5036","0.0006","12.9729","0.0011","17.9702","0.0016","90","","90","","90","","1516.2","0.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl2 N5 -","- C15 H11 Cl2 N5 -","- C60 H44 Cl8 N20 -","4","1","","Dai, Zhi-Cheng; Chen, Yong-Fei; Zhang, Mao; Li, Sheng-Kun; Yang, Ting-Ting; Shen, Li; Wang, Jian-Xin; Qian, Shao-Song; Zhu, Hai-Liang; Ye, Yong-Hao","Synthesis and antifungal activity of 1,2,3-triazole phenylhydrazone derivatives.","Organic & biomolecular chemistry","2015","13","2","477","486","10.1039/c4ob01758g","","","0.71073","MoKα","","0.0424","0.034","","","0.0811","0.0847","","","","","","0.983","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154159","15.737","0.004","14.565","0.003","20.694","0.005","90","","111.581","0.003","90","","4410.7","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O2 S2 -","- C22 H29 N O2 S2 -","- C176 H232 N8 O16 S16 -","8","2","","Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu","Visible light-mediated dehydrogenative β-arylsulfonylation of tertiary aliphatic amines with arylsulfonyl chlorides.","Organic & biomolecular chemistry","2014","12","46","9337","","10.1039/c4ob01713g","","","0.71073","MoKα","","0.0943","0.083","","","0.1357","0.1404","","","","","","1.271","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154160","22.425","0.005","8.478","0.003","14.695","0.007","90","","108.438","0.004","90","","2650.4","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O2 S -","- C13 H19 N O2 S -","- C104 H152 N8 O16 S8 -","8","2","","Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu","Visible light-mediated dehydrogenative β-arylsulfonylation of tertiary aliphatic amines with arylsulfonyl chlorides.","Organic & biomolecular chemistry","2014","12","46","9337","","10.1039/c4ob01713g","","","0.71073","MoKα","","0.0952","0.0809","","","0.1577","0.1662","","","","","","1.16","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154161","8.921","0.004","10.42","0.02","15.804","0.008","81.48","0.09","73.79","0.04","87.26","0.09","1395","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 Cl6 N7 -","- C25 H17 Cl6 N7 -","- C50 H34 Cl12 N14 -","2","1","","Hung, Tran Quang; Hancker, Sören; Villinger, Alexander; Lochbrunner, Stefan; Dang, Tuan Thanh; Friedrich, Aleksej; Breitsprecher, Wolfgang; Langer, Peter","Novel synthesis of 5-methyl-5,10-dihydroindolo[3,2-b]indoles by Pd-catalyzed C-C and two-fold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","2","583","591","10.1039/c4ob01723d","","","0.71073","MOKa","","0.2181","0.0475","","","0.1125","0.1555","","","","","","0.819","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154162","7.1928","0.0003","13.3215","0.0006","32.7007","0.0016","90","","90","","90","","3133.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Z. Fan","","- C39 H26 Cl2 N2 O -","- C39 H26 Cl2 N2 O -","- C156 H104 Cl8 N8 O4 -","4","1","","Li, Wei; Fan, Zhoulong; Geng, Kaijun; Xu, Youjun; Zhang, Ao","Late-stage diversification of biologically active pyridazinones via a direct C-H functionalization strategy.","Organic & biomolecular chemistry","2015","13","2","539","548","10.1039/c4ob02061h","","","0.71073","MoKα","","0.0596","0.0418","","","0.1051","0.1151","","","","","","1.023","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154163","9.9757","0.0003","5.76438","0.00017","22.7227","0.0007","90","","91.835","0.003","90","","1305.97","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Wang, Ying-chun; Xie, Yu-yang; Tan, Xian-chun; Wang, Heng-shan; Pan, Ying-ming","Sc(OTf)3-mediated 1,3-dipolar cycloaddition-ring cleavage-rearrangement: a highly stereoselective access to Z-β-enaminonitriles.","Organic & biomolecular chemistry","2015","13","2","513","519","10.1039/c4ob01801j","","","0.7107","MoKα","","0.0623","0.0484","","","0.1136","0.1209","","","","","","1.131","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154164","5.8434","0.0017","10.203","0.003","22.194","0.006","90","","94.84","0.005","90","","1318.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 F N2 -","- C16 H13 F N2 -","- C64 H52 F4 N8 -","4","1","","Wang, Ying-chun; Xie, Yu-yang; Tan, Xian-chun; Wang, Heng-shan; Pan, Ying-ming","Sc(OTf)3-mediated 1,3-dipolar cycloaddition-ring cleavage-rearrangement: a highly stereoselective access to Z-β-enaminonitriles.","Organic & biomolecular chemistry","2015","13","2","513","519","10.1039/c4ob01801j","","","0.71073","MoKα","","0.0514","0.0393","","","0.1023","0.1112","","","","","","1.063","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154165","18.378","0.003","8.8145","0.0003","14.806","0.002","90","","130.63","0.03","90","","1820.3","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3-Dichloro-5-methyl-1H-inden-1-one","","- C20 H12 Cl4 O2 -","- C20 H12 Cl4 O2 -","- C80 H48 Cl16 O8 -","4","0.5","","Raveendra Babu, Kaki; Khan, Faiz Ahmed","A domino reaction of tetrahalo-7,7-dimethoxybicyclo[2.2.1]heptenyl alcohols leading to indenones and a de novo synthesis of ninhydrin derivatives.","Organic & biomolecular chemistry","2015","13","1","299","308","10.1039/c4ob01977f","","","1.54184","CuKα","","0.0559","0.0465","","","0.1308","0.1428","","","","","","1.036","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154166","11.546","0.0002","12.36","0.0001","12.765","0.0002","101.747","0.001","113.392","0.002","95.129","0.001","1607.29","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 B F10 P -","- C35 H26 B F10 P -","- C70 H52 B2 F20 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0448","0.0401","","","0.1025","0.1067","","","","","","1.026","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154167","23.2576","0.0005","18.1844","0.0005","16.9234","0.0005","90","","111.378","0.002","90","","6664.9","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37.5 H23 B Cl F10 P -","- C37.5 H23 B Cl F10 P -","- C300 H184 B8 Cl8 F80 P8 -","8","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0563","0.0515","","","0.1358","0.1402","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154168","22.3123","0.0003","15.8067","0.0002","23.2517","0.0004","90","","106.554","0.001","90","","7860.6","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H38 B F10 P -","- C41 H38 B F10 P -","- C328 H304 B8 F80 P8 -","8","2","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","0.71073","MoKα","","0.117","0.0734","","","0.1616","0.1822","","","","","","1.037","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154169","21.8974","0.0005","20.212","0.0005","20.4155","0.0007","90","","108.587","0.001","90","","8564.4","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 B F10 P -","- C43 H34 B F10 P -","- C344 H272 B8 F80 P8 -","8","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0565","0.045","","","0.1235","0.1309","","","","","","1.082","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154170","10.1386","0.0002","10.9523","0.0002","16.007","0.0004","94.704","0.001","90.06","0.001","104.481","0.002","1714.74","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 B F10 P -","- C38 H30 B F10 P -","- C76 H60 B2 F20 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","0.71073","MoKα","","0.0557","0.0499","","","0.1236","0.1291","","","","","","1.049","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154171","12.0744","0.0003","28.1047","0.0006","11.3117","0.0002","90","","99.395","0.001","90","","3787.11","0.14","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 B F10 P -","- C40 H26 B F10 P -","- C160 H104 B4 F40 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","0.71073","MoKα","","0.091","0.0739","","","0.1972","0.2118","","","","","","1.063","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154172","20.771","0.0009","10.2846","0.0005","18.6572","0.0009","90","","120.235","0.004","90","","3443.4","0.3","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H28 B Cl2 F10 P -","- C36 H28 B Cl2 F10 P -","- C144 H112 B4 Cl8 F40 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0678","0.0546","","","0.1256","0.1374","","","","","","1.052","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154173","16.2406","0.0005","10.2753","0.0003","21.4263","0.0008","90","","102.915","0.002","90","","3485.1","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 B Cl2 F10 P -","- C38 H24 B Cl2 F10 P -","- C152 H96 B4 Cl8 F40 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0741","0.0504","","","0.1215","0.137","","","","","","1.037","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154174","8.6089","0.0017","8.8898","0.0018","15.632","0.003","98.35","0.03","96.13","0.03","104.16","0.03","1135","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H4.5 Cl0.25 F0.75 N0.5 O1.25 S0.5 -","- C20 H18 Cl F3 N2 O5 S2 -","- C40 H36 Cl2 F6 N4 O10 S4 -","2","1","","Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao","Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates.","Organic & biomolecular chemistry","2015","13","3","751","763","10.1039/c4ob01744g","","","0.71073","MoKα","","","0.0794","","","0.2084","0.2177","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154175","13.927","0.003","10.771","0.002","24.361","0.005","90","","93.49","0.03","90","","3647.6","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 F6 N2 O P -","- C18 H15 F6 N2 O P -","- C144 H120 F48 N16 O8 P8 -","8","1","","Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao","Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates.","Organic & biomolecular chemistry","2015","13","3","751","763","10.1039/c4ob01744g","","","0.71073","MoKα","","","0.0491","","","0.1107","0.1165","","","","","","1.083","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154176","15.338","0.003","10.04","0.002","14.189","0.003","90","","94.34","0.03","90","","2178.7","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F6 N2 O2 P S -","- C19 H19 F6 N2 O2 P S -","- C76 H76 F24 N8 O8 P4 S4 -","4","1","","Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao","Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates.","Organic & biomolecular chemistry","2015","13","3","751","763","10.1039/c4ob01744g","","","0.71073","MoKα","","","0.0776","","","0.2007","0.2033","","","","","","1.172","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154177","10.516","0.003","16.68","0.004","27.091","0.006","90","","90","","90","","4752","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H23 N O4 -","- C31 H23 N O4 -","- C248 H184 N8 O32 -","8","1","","Liu, Xiong-Li; Pan, Bo-Wen; Zhang, Wen-Hui; Yang, Chao; Yang, Jun; Shi, Yang; Feng, Ting-Ting; Zhou, Ying; Yuan, Wei-Cheng","A highly efficient and eco-friendly method for the synthesis of 1,3-indandione ring-fused 3-oxindoles bearing two contiguous quaternary stereocenters via an aldol reaction in aqueous media.","Organic & biomolecular chemistry","2015","13","2","601","611","10.1039/c4ob02103g","","","0.71073","MoKα","","0.0753","0.0513","","","0.1302","0.147","","","","","","1.048","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154178","10.736","0.0003","15.9895","0.0003","11.2155","0.0003","90","","107.652","0.001","90","","1834.64","0.08","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F2 N2 O2 S -","- C16 H24 F2 N2 O2 S -","- C64 H96 F8 N8 O8 S4 -","4","2","","Wang, Chao; Wu, Xinjun; Zhou, Li; Sun, Jian","L-Valine derived chiral N-sulfinamides as effective organocatalysts for the asymmetric hydrosilylation of N-alkyl and N-aryl protected ketimines.","Organic & biomolecular chemistry","2015","13","2","577","582","10.1039/c4ob01257g","","","0.71073","MoKα","","0.0307","0.0291","","","0.0825","0.084","","","","","","1","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154179","9.3912","0.0005","10.6576","0.0004","18.9928","0.0008","90","","94.82","0.002","90","","1894.22","0.15","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F2 N2 O2 S -","- C16 H24 F2 N2 O2 S -","- C64 H96 F8 N8 O8 S4 -","4","2","","Wang, Chao; Wu, Xinjun; Zhou, Li; Sun, Jian","L-Valine derived chiral N-sulfinamides as effective organocatalysts for the asymmetric hydrosilylation of N-alkyl and N-aryl protected ketimines.","Organic & biomolecular chemistry","2015","13","2","577","582","10.1039/c4ob01257g","","","0.71073","MoKα","","0.0326","0.0304","","","0.0832","0.0854","","","","","","0.998","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154180","5.6153","0.0001","14.7482","0.0003","16.9257","0.0004","90","","90","","90","","1401.71","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S)-(-)-4,5-Dihydroxy-3-[(phenylhydrazyl)methyl]cyclopent-2-enone acetonide","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Łukasik, Beata; Mikołajczyk, Marian; Bujacz, Grzegorz; Żurawiński, Remigiusz","Synthesis and the absolute configuration of both enantiomers of 4,5-dihydroxy-3-(formyl)cyclopent-2-enone acetonide as a new chiral building block for prostanoid synthesis.","Organic & biomolecular chemistry","2015","13","3","807","816","10.1039/c4ob01535e","","","1.5418","CuKα","","0.0615","0.0566","","","0.1588","0.1745","","","","","","1.13","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154181","53.5172","0.0016","17.0124","0.0006","7.5768","0.0002","90","","90","","90","","6898.3","0.4","173","2","173","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1-{2-[(2,4-Dimethylphenyl)amino]-5-[(2-hydroxyphenyl)carbonyl]furan-3-yl}ethan-1-one","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C336 H304 N16 O64 -","16","","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0575","0.0422","","","0.0819","0.0886","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154182","9.702","0.0002","6.8943","0.0001","16.0179","0.0003","90","","91.201","0.001","90","","1071.18","0.03","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>N</i>-(4-Chlorophenyl)-5-[(2-hydroxy-4-methoxyphenyl)carbonyl]-2-methylfuran-3-carboxamide * dimethylsulfoxide","","- C22 H22 Cl N O6 S -","- C22 H23 Cl N O6 S -","- C44 H46 Cl2 N2 O12 S2 -","2","0.5","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0465","0.0382","","","0.1038","0.1126","","","","","","1.025","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154183","4.9114","0.0004","9.9314","0.0007","36.687","0.003","90","","90","","90","","1789.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Benzoyl-2-(phenylamino)-9<i>H</i>-furo[3,2-<i>b</i>]chromen-9-one","","- C24 H15 N O4 -","- C24 H15 N O4 -","- C96 H60 N4 O16 -","4","1","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0937","0.048","","","0.0925","0.1105","","","","","","1.01","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154184","18.769","0.004","12.495","0.003","13.68","0.003","90","","90","","90","","3208.2","1.2","173.15","","173.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","anti-5g","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C112 H112 N32 O32 -","8","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.089","0.0825","","","0.2014","0.2066","","","","","","1.139","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154185","10.8728","0.0015","14.6282","0.0018","16.068","0.002","73.171","0.006","81.536","0.007","77.112","0.007","2375.2","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","syn-5a","","- C22 H25 Cl2 N5 O4 S -","- C22 H25 Cl2 N5 O4 S -","- C88 H100 Cl8 N20 O16 S4 -","4","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.0759","0.0641","","","0.1301","0.1373","","","","","","1.126","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154186","7.764","0.003","9.345","0.004","20.472","0.009","80.083","0.016","86.694","0.016","79.18","0.013","1436.6","1","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","syn-5g","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C56 H56 N16 O16 -","4","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.1272","0.1109","","","0.3066","0.3194","","","","","","1.123","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154187","13.41","0.003","6.5061","0.0013","18.689","0.004","90","","94.61","0.03","90","","1625.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5h","","- C14 H14 N8 O4 -","- C14 H14 N8 O4 -","- C56 H56 N32 O16 -","4","1","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.0634","0.0534","","","0.1803","0.2237","","","","","","1.205","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154188","18.126","0.005","14.074","0.004","16.468","0.006","90","","95.045","0.004","90","","4185","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","anti-5a","","- C21 H23 N5 O4 S -","- C21 H23 N5 O4 S -","- C168 H184 N40 O32 S8 -","8","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.0995","0.0834","","","0.1577","0.1659","","","","","","1.242","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154189","10.9779","0.0007","5.7869","0.0005","12.1402","0.001","90","","92.349","0.004","90","","770.59","0.1","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C28 H38 N2 O10 S2 -","2","1","","Denoël, Thibaut; Zervosen, Astrid; Lemaire, Christian; Joris, Bernard; Hervé, Mireille; Blanot, Didier; Zaragoza, Guillermo; Luxen, André","Enantioselective synthesis of α-benzylated lanthionines and related tripeptides for biological incorporation into E. coli peptidoglycan.","Organic & biomolecular chemistry","2014","12","48","9853","9863","10.1039/c4ob01476f","","x-ray","0.7107","MoKα","","0.0357","0.0325","","","0.068","0.0695","","","","","","1.014","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154190","5.7297","0.0003","16.224","0.0009","17.5243","0.0009","90","","90","","90","","1629.04","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N4 O5 S -","- C14 H18 N4 O5 S -","- C56 H72 N16 O20 S4 -","4","1","","Denoël, Thibaut; Zervosen, Astrid; Lemaire, Christian; Joris, Bernard; Hervé, Mireille; Blanot, Didier; Zaragoza, Guillermo; Luxen, André","Enantioselective synthesis of α-benzylated lanthionines and related tripeptides for biological incorporation into E. coli peptidoglycan.","Organic & biomolecular chemistry","2014","12","48","9853","9863","10.1039/c4ob01476f","","x-ray","0.7107","MoKα","","0.0762","0.0465","","","0.0949","0.1098","","","","","","0.854","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154191","14.6","0.003","15.398","0.003","15.703","0.004","99.409","0.01","90.878","0.012","117.283","0.009","3078.8","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H87 N9 O24.5 S3 -","- C48 H87 N9 O24.33 S3 -","- C96 H174 N18 O48.66 S6 -","2","1","","Mateus, Pedro; Delgado, Rita; André, Vânia; Teresa Duarte, M.","Sulfate recognition by a hexaaza cryptand receptor.","Organic & biomolecular chemistry","2015","13","3","834","842","10.1039/c4ob02027h","","","0.71069","MoKα","","0.0781","0.0609","","","0.1799","0.1968","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154192","15.0756","0.0002","15.9328","0.0003","28.2582","0.0006","90","","90","","90","","6787.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[1,3-Bis(1,3,4,6-O-benzyl-2-deoxy‒D-glucopyranoside)imidazol-2-ylidene](chloro)(1,5-cyclooctadiene)rhodium(I)","","- C79 H84 Cl N2 O10 Rh -","- C79 H84 Cl N2 O10 Rh -","- C316 H336 Cl4 N8 O40 Rh4 -","4","1","","Henderson, Alexander S.; Bower, John F.; Galan, M. Carmen","Carbohydrate-based N-heterocyclic carbenes for enantioselective catalysis.","Organic & biomolecular chemistry","2014","12","45","9180","9183","10.1039/c4ob02056a","","","0.71073","MoKα","","0.0462","0.0334","","","0.0611","0.0653","","","","","","1.013","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154193","13.141","0.005","13.962","0.005","16.15","0.006","66.89","0.03","74.79","0.04","89.89","0.03","2612.8","1.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O4 S2 -","- C28 H28 N2 O4 S2 -","- C112 H112 N8 O16 S8 -","4","2","","Tian, Yu; Wang, Yuanhao; Shang, Hai; Xu, Xudong; Tang, Yefeng","Rhodium(II)-catalyzed intramolecular formal [4 + 3] cycloadditions of dienyltriazoles: rapid access to fused 2,5-dihydroazepines.","Organic & biomolecular chemistry","2015","13","2","612","619","10.1039/c4ob01910e","","","0.71073","MoKα","","0.1566","0.0533","","","0.088","0.1148","","","","","","1.018","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154194","12.2471","0.0006","5.6271","0.0003","13.2223","0.0006","90","","112.39","0.002","90","","842.53","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","hydroxy(3-nitrophenyl)methyl)phosphinate","","","- C15 H19 N2 O5 P -","- C15 H19 N2 O5 P -","- C30 H38 N4 O10 P2 -","2","1","","Commare, Bruno; Rigault, Delphine; Lemasson, Isabelle A.; Deschamps, Patrick; Tomas, Alain; Roussel, Pascal; Brabet, Isabelle; Goudet, Cyril; Pin, Jean-Philippe; Leroux, Frédéric R; Colobert, Françoise; Acher, Francine C.","Determination of the absolute configuration of phosphinic analogues of glutamate.","Organic & biomolecular chemistry","2015","13","4","1106","1112","10.1039/c4ob01960a","","","0.71073","MoKα","","0.0576","0.0351","","","0.087","0.1123","","","","","","1.106","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154195","7.29191","0.00019","16.5352","0.0004","16.003","0.0004","90","","99.499","0.003","90","","1903.08","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H38 O12 -","- C42 H38 O12 -","- C84 H76 O24 -","2","1","","Huang, Xin; Fu, Chunling; Ma, Shengming","Palladium(0)-catalyzed synthesis of cyclic glucosides.","Organic & biomolecular chemistry","2015","13","1","248","251","10.1039/c4ob01975j","","","1.54184","CuKα","","0.0383","0.0354","","","0.0945","0.0981","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154196","17.158","0.003","6.001","0.0012","15.681","0.003","90","","90","","90","","1614.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br N O2 -","- C19 H16 Br N O2 -","- C76 H64 Br4 N4 O8 -","4","1","","Guo, Jiajia; Yu, Shouyun","Enantioselective synthesis of benzoindolizidine derivatives using chiral phase-transfer catalytic intramolecular domino aza-Michael addition/alkylation.","Organic & biomolecular chemistry","2015","13","4","1179","1186","10.1039/c4ob02227k","","","0.71073","MoKα","","0.1486","0.0643","","","0.1009","0.1261","","","","","","1.001","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154197","8.5989","0.0006","16.1254","0.0013","15.4619","0.001","90","","95.125","0.006","90","","2135.4","0.3","293","","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl F2 N O2 -","- C25 H20 Cl F2 N O2 -","- C100 H80 Cl4 F8 N4 O8 -","4","1","","Urvashi, ?; Rastogi, Gaurav K.; Ginotra, Sandeep K.; Agarwal, Alka; Tandon, Vibha","An expedient approach to 1,2-dihydroisoquinoline derivatives via cobalt catalysed 6-endo dig cyclization followed by Mannich condensation of o-alkynylarylaldimines.","Organic & biomolecular chemistry","2015","13","4","1000","1007","10.1039/c4ob02036g","","","0.71073","MoKα","","0.0708","0.0504","","","0.1069","0.1168","","","","","","1.041","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154198","9.6382","0.0007","12.519","0.0009","16.1542","0.0012","90","","101.439","0.002","90","","1910.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C80 H100 N4 O16 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mishra, Aniket; Khatun, Nilufa; Patel, Bhisma K.","Copper(i)-promoted cycloalkylation-peroxidation of unactivated alkenes via sp(3) C-H functionalisation.","Organic & biomolecular chemistry","2015","13","5","1307","1312","10.1039/c4ob01962h","","","0.71073","MoKα","","0.0483","0.0374","","","0.098","0.11","","","","","","1.15","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154199","5.518","0.002","26.082","0.01","8.581","0.005","90","","94.23","0.04","90","","1231.6","1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mishra, Aniket; Khatun, Nilufa; Patel, Bhisma K.","Copper(i)-promoted cycloalkylation-peroxidation of unactivated alkenes via sp(3) C-H functionalisation.","Organic & biomolecular chemistry","2015","13","5","1307","1312","10.1039/c4ob01962h","","","0.71073","MoKα","","0.0677","0.0522","","","0.14","0.1497","","","","","","1.144","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154200","17.6306","0.0004","6.5284","0.0002","18.1875","0.0004","90","","96.701","0.001","90","","2079.07","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Cl O5 -","- C21 H27 Cl O5 -","- C84 H108 Cl4 O20 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mishra, Aniket; Khatun, Nilufa; Patel, Bhisma K.","Copper(i)-promoted cycloalkylation-peroxidation of unactivated alkenes via sp(3) C-H functionalisation.","Organic & biomolecular chemistry","2015","13","5","1307","1312","10.1039/c4ob01962h","","","0.71073","MoKα","","0.0484","0.0395","","","0.0988","0.1038","","","","","","1.078","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154201","17.1143","0.0004","20.8803","0.0006","26.8416","0.0006","90","","90","","90","","9591.9","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","hw_c_17_2","5","","- C70.15 H81.65 Cl15.44 F1.5 N12 O19 S6 -","- C70.152 H81.152 Cl15.456 F1.5 N12 O19 S6 -","- C280.608 H324.608 Cl61.824 F6 N48 O76 S24 -","4","1","","Wu, Haifan; She, Fengyu; Gao, Wenyang; Prince, Austin; Li, Yaqiong; Wei, Lulu; Mercer, Allison; Wojtas, Lukasz; Ma, Shengqian; Cai, Jianfeng","The synthesis of head-to-tail cyclic sulfono-γ-AApeptides.","Organic & biomolecular chemistry","2015","13","3","672","676","10.1039/c4ob02232g","","","1.54178","CuKα","","0.1073","0.0677","","","0.1595","0.1828","","","","","","1.016","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154202","15.3554","0.0006","5.1394","0.0003","19.8167","0.0011","90","0.005","110.249","0.003","90","0.004","1467.23","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 N2 S5 -","- C14 H6 N2 S5 -","- C56 H24 N8 S20 -","4","1","","Pop, Flavia; Seifert, Sabine; Hankache, Jihane; Ding, Jie; Hauser, Andreas; Avarvari, Narcis","Modulation of the charge transfer and photophysical properties in non-fused tetrathiafulvalene-benzothiadiazole derivatives.","Organic & biomolecular chemistry","2015","13","4","1040","1047","10.1039/c4ob02100b","","","0.71073","MoKα","","0.0867","0.0424","","","0.0723","0.0844","","","","","","1.053","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154203","6.2637","0.0004","9.6026","0.0006","11.1057","0.0008","78.235","0.004","81.016","0.004","74.565","0.004","626.68","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","9-(4-Fluorophenyl)-9<i>H</i>-pyrido[2,3-b]indole","","- C17 H11 F N2 -","- C17 H11 F N2 -","- C34 H22 F2 N4 -","2","1","","Hung, Tran Quang; Dang, Tuan Thanh; Janke, Julia; Villinger, Alexander; Langer, Peter","Efficient synthesis of α- and δ-carbolines by sequential Pd-catalyzed site-selective C-C and twofold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","5","1375","1386","10.1039/c4ob02226b","","","0.71073","MoKα","","0.1111","0.0596","","","0.1181","0.1387","","","","","","1.031","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154204","13.9224","0.0007","11.0347","0.0005","16.4227","0.0009","90","","94.077","0.002","90","","2516.6","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-(4-Fluorophenyl)-5<i>H</i>-pyrido[3,2-b]indole","","- C17 H11 F N2 -","- C17 H11 F N2 -","- C136 H88 F8 N16 -","8","1","","Hung, Tran Quang; Dang, Tuan Thanh; Janke, Julia; Villinger, Alexander; Langer, Peter","Efficient synthesis of α- and δ-carbolines by sequential Pd-catalyzed site-selective C-C and twofold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","5","1375","1386","10.1039/c4ob02226b","","","0.71073","MoKα","","0.0769","0.0432","","","0.101","0.1155","","","","","","1.041","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154205","7.3662","0.0015","12.232","0.002","12.351","0.003","72.49","0.03","75.1","0.03","88.58","0.03","1023.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H16 N4 O -","- C25 H16 N4 O -","- C50 H32 N8 O2 -","2","1","","Zhu, Shifa; Huang, Xiaobing; Zhao, Tian-Qi; Ma, Tongmei; Jiang, Huanfeng","Metal-catalyzed formation of 1,3-cyclohexadienes: a catalyst-dependent reaction.","Organic & biomolecular chemistry","2015","13","4","1225","1233","10.1039/c4ob01922a","","","0.71073","MoKα","","0.1181","0.0419","","","0.112","0.1693","","","","","","0.994","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154206","8.9089","0.0003","14.1642","0.0004","19.4386","0.0006","95.371","0.001","96.23","0.001","101.484","0.001","2372.84","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C62 H55 N5 -","- C62 H55 N5 -","- C124 H110 N10 -","2","1","","Hernández-Alonso, D; Zankowski, S.; Adriaenssens, L.; Ballester, P.","Water-soluble aryl-extended calix[4]pyrroles with unperturbed aromatic cavities: synthesis and binding studies.","Organic & biomolecular chemistry","2015","13","4","1022","1029","10.1039/c4ob02108h","","","0.71073","MoKα","","0.0547","0.0452","","","0.1235","0.1357","","","","","","1.05","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154207","12.2582","0.0011","16.6588","0.0013","20.6422","0.0017","90","","101.775","0.003","90","","4126.6","0.6","122","","122","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H100 N12 O20 S6 -","- C66 H100 N12 O20 S6 -","- C132 H200 N24 O40 S12 -","2","1","","Lisbjerg, Micke; Nielsen, Bjarne E.; Milhøj, Birgitte O; Sauer, Stephan P. A.; Pittelkow, Michael","Anion binding by biotin[6]uril in water.","Organic & biomolecular chemistry","2015","13","2","369","373","10.1039/c4ob02211d","","","0.71073","MoKα","","0.1368","0.0804","","","0.2055","0.2307","","","","","","0.969","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154208","19.221","0.003","19.221","0.003","26.996","0.004","90","","90","","90","","9974","3","123","2","123","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","","","- C113 H99 N9 O10 -","- C113 H99 N9 O10 -","- C452 H396 N36 O40 -","4","0.25","","Kobayashi, Mutsumi; Takatsuka, Mei; Sekiya, Ryo; Haino, Takeharu","Molecular recognition of upper rim functionalized cavitand and its unique dimeric capsule in the solid state.","Organic & biomolecular chemistry","2015","13","6","1647","1653","10.1039/c4ob02251c","","x-ray","0.71073","MoKα","","0.1074","0.0984","","","0.2778","0.2863","","","","","","1.072","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154209","25.752","0.006","14.426","0.003","19.859","0.005","90","","123.395","0.002","90","","6160","2","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C48 H52 I4 O8 -","- C48 H52 I4 O8 -","- C192 H208 I16 O32 -","4","0.5","","Kobayashi, Mutsumi; Takatsuka, Mei; Sekiya, Ryo; Haino, Takeharu","Molecular recognition of upper rim functionalized cavitand and its unique dimeric capsule in the solid state.","Organic & biomolecular chemistry","2015","13","6","1647","1653","10.1039/c4ob02251c","","x-ray","0.71073","MoKα","","0.0628","0.0544","","","0.1477","0.1521","","","","","","1.086","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154210","9.4466","0.0014","12.186","0.0018","18.704","0.003","90","","90","","90","","2153.1","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","","Alcaide, Benito; Almendros, Pedro; Aragoncillo, Cristina; Callejo, Ricardo; Pilar Ruiz, M.; Rosario Torres, M.","Investigation of the Passerini and Ugi reactions in β-lactam aldehydes. Synthetic applications.","Organic & biomolecular chemistry","2015","13","5","1387","1394","10.1039/c4ob02289k","","","0.71073","MoKα","","0.1557","0.0526","","","0.128","0.1747","","","","","","0.994","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154211","16.611","0.0016","14.92","0.002","12.644","0.002","90","","111.924","0.008","90","","2907","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H66 Br2 N6 O7 -","- C63 H66 Br2 N6 O7 -","- C126 H132 Br4 N12 O14 -","2","0.5","","Xu, Xiao-Liang; Yu, Chun-Lei; Chen, Wen; Li, Ying-Chao; Yang, Li-Juan; Li, Yan; Zhang, Hong-Bin; Yang, Xiao-Dong","Synthesis and antitumor activity of novel 2-substituted indoline imidazolium salt derivatives.","Organic & biomolecular chemistry","2015","13","5","1550","1557","10.1039/c4ob02385d","","","0.71073","MoKα","","0.1348","0.057","","","0.1446","0.1858","","","","","","0.968","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154212","10.018","0.002","13.304","0.003","13.868","0.003","90","","105.637","0.003","90","","1779.9","0.7","293","","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N2 O6 P -","- C16 H21 N2 O6 P -","- C64 H84 N8 O24 P4 -","4","1","","Ahamad, Shakir; Gupta, Ashis Kumar; Kant, Ruchir; Mohanan, Kishor","Domino reaction involving the Bestmann-Ohira reagent and α,β-unsaturated aldehydes: efficient synthesis of functionalized pyrazoles.","Organic & biomolecular chemistry","2015","13","5","1492","1499","10.1039/c4ob02365j","","","0.71075","MoKα","","0.0338","0.0301","","","0.0806","0.0827","","","","","","1.084","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154213","7.1637","0.0007","26.057","0.003","11.5507","0.0011","90","","95.513","0.002","90","","2146.1","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","1","","Kamal, Ahmed; Rahim, Abdul; Riyaz, Sd; Poornachandra, Y.; Balakrishna, Moku; Kumar, C. Ganesh; Hussaini, Syed Mohammed Ali; Sridhar, B.; Machiraju, Pavan Kumar","Regioselective synthesis, antimicrobial evaluation and theoretical studies of 2-styryl quinolines.","Organic & biomolecular chemistry","2015","13","5","1347","1357","10.1039/c4ob02277g","","","0.71073","MoKα","","0.1018","0.0826","","","0.1581","0.1668","","","","","","1.25","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154214","14.5655","0.0005","8.3351","0.0003","26.0998","0.001","90","","90","","90","","3168.6","0.2","223.1","0.3","223.1","0.3","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","Thiaplakortone A hydrochoride dihydrate","","","- C12 H16 Cl N3 O6 S -","- C12 H16 Cl N3 O6 S -","- C96 H128 Cl8 N24 O48 S8 -","8","1","","Schwartz, Brett D.; Skinner-Adams, Tina S; Andrews, Katherine T.; Coster, Mark J.; Edstein, Michael D.; MacKenzie, Donna; Charman, Susan A.; Koltun, Maria; Blundell, Scott; Campbell, Anna; Pouwer, Rebecca H.; Quinn, Ronald J.; Beattie, Karren D.; Healy, Peter C.; Davis, Rohan A.","Synthesis and antimalarial evaluation of amide and urea derivatives based on the thiaplakortone A natural product scaffold.","Organic & biomolecular chemistry","2015","13","5","1558","1570","10.1039/c4ob01849d","","","0.7107","MoKα","","0.0682","0.0516","","","0.114","0.1221","","","","","","1.109","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154215","10.0722","0.0006","24.9481","0.0018","7.5588","0.0005","90","","99.053","0.006","90","","1875.7","0.2","199.9","0.3","199.9","0.3","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","Thiaplakortone A Propylamide DMSO","","","- C17 H21 N3 O6 S2 -","- C17 H21 N3 O6 S2 -","- C68 H84 N12 O24 S8 -","4","1","","Schwartz, Brett D.; Skinner-Adams, Tina S; Andrews, Katherine T.; Coster, Mark J.; Edstein, Michael D.; MacKenzie, Donna; Charman, Susan A.; Koltun, Maria; Blundell, Scott; Campbell, Anna; Pouwer, Rebecca H.; Quinn, Ronald J.; Beattie, Karren D.; Healy, Peter C.; Davis, Rohan A.","Synthesis and antimalarial evaluation of amide and urea derivatives based on the thiaplakortone A natural product scaffold.","Organic & biomolecular chemistry","2015","13","5","1558","1570","10.1039/c4ob01849d","","","0.7107","MoKα","","0.0854","0.0534","","","0.1063","0.1246","","","","","","1.056","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154216","9.019","0.005","9.387","0.005","9.84","0.005","103.834","0.01","111.51","0.011","104.812","0.011","696.1","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 B F2 N2 S -","- C15 H11 B F2 N2 S -","- C30 H22 B2 F4 N4 S2 -","2","1","","Roacho, Robinson I.; Metta-Magaña, Alejandro; Peña-Cabrera, Eduardo; Pannell, Keith","Unprecedented one-pot sequential thiolate substitutions under mild conditions leading to a red emissive BODIPY dye 3,5,8-tris(PhS)-BODIPY.","Organic & biomolecular chemistry","2015","13","4","995","999","10.1039/c4ob01892c","","","0.71073","MoKα","","0.0747","0.0462","","","0.1386","0.1609","","","","","","1.024","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154217","9.144","0.004","9.856","0.004","11.616","0.004","83.242","0.006","75.289","0.006","68.965","0.007","944.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 B F2 N2 S2 -","- C21 H15 B F2 N2 S2 -","- C42 H30 B2 F4 N4 S4 -","2","1","","Roacho, Robinson I.; Metta-Magaña, Alejandro; Peña-Cabrera, Eduardo; Pannell, Keith","Unprecedented one-pot sequential thiolate substitutions under mild conditions leading to a red emissive BODIPY dye 3,5,8-tris(PhS)-BODIPY.","Organic & biomolecular chemistry","2015","13","4","995","999","10.1039/c4ob01892c","","","0.71073","MoKα","","0.068","0.041","","","0.1088","0.1382","","","","","","0.747","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154218","9.462","0.003","12.722","0.004","20.648","0.006","90","","99.442","0.006","90","","2451.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 B F2 N2 S3 -","- C27 H19 B F2 N2 S3 -","- C108 H76 B4 F8 N8 S12 -","4","1","","Roacho, Robinson I.; Metta-Magaña, Alejandro; Peña-Cabrera, Eduardo; Pannell, Keith","Unprecedented one-pot sequential thiolate substitutions under mild conditions leading to a red emissive BODIPY dye 3,5,8-tris(PhS)-BODIPY.","Organic & biomolecular chemistry","2015","13","4","995","999","10.1039/c4ob01892c","","","0.71073","MoKα","","0.0858","0.0547","","","0.1616","0.1857","","","","","","1.164","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154219","9.751","0.005","18.905","0.005","16.646","0.005","90","0.005","92.408","0.005","90","0.005","3066","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O2 S -","- C17 H16 N2 O2 S -","- C136 H128 N16 O16 S8 -","8","2","","Saunthwal, Rakesh K.; Patel, Monika; Danodia, Abhinandan K.; Verma, Akhilesh K.","Pd-catalyzed Heck-conjoined amidation and concomitant chemoselective Michael-addition: an efficient tandem approach to highly functionalized tetrahydroquinazolines from o-haloanilines.","Organic & biomolecular chemistry","2015","13","5","1521","1530","10.1039/c4ob02286f","","","0.71073","MoKα","","0.0602","0.0418","","","0.0958","0.1018","","","","","","1.033","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154220","9.095","0.004","11.415","0.004","17.22","0.006","90","","90","","90","","1787.8","1.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Cheng, Jin-Tang; Chen, Xiang-Yu; Ye, Song","N-heterocyclic carbene-catalyzed cyclocondensation of 2-aryl carboxylic acids and enones: highly enantioselective synthesis of δ-lactones.","Organic & biomolecular chemistry","2015","13","5","1313","1316","10.1039/c4ob02330g","","","1.54187","CuKα","","0.0392","0.029","","","0.0634","0.074","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154221","25.278","0.0011","7.9874","0.0003","14.5933","0.0005","90","","94.398","0.004","90","","2937.8","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 O1.5 P -","- C17 H18 O1.5 P -","- C136 H144 O12 P8 -","8","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.7107","MoKα","","0.0588","0.0437","","","0.094","0.1023","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154222","9.0477","0.0002","17.5321","0.0004","9.9229","0.0002","90","","93.056","0.002","90","","1571.78","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O P -","- C20 H21 O P -","- C80 H84 O4 P4 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.5418","CuKα","","0.0465","0.0385","","","0.0954","0.1021","","","","","","1.045","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154223","20.4116","0.0008","10.1465","0.0004","15.7185","0.0008","90","","108.406","0.005","90","","3088.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br O P -","- C17 H16 Br O P -","- C136 H128 Br8 O8 P8 -","8","2","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.7107","MoKα","","0.0743","0.0461","","","0.1061","0.1234","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154224","11.56214","0.0001","11.41592","0.0001","21.7492","0.0002","90","","100.089","0.0009","90","","2826.34","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O2 P2 -","- C34 H32 O2 P2 -","- C136 H128 O8 P8 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.5418","CuKα","","0.0431","0.0382","","","0.0891","0.0929","","","","","","1.04","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154225","35.515","0.002","14.5644","0.0007","5.7956","0.0004","90","","90","","90","","2997.8","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H19 O2 P -","- C17 H19 O2 P -","- C136 H152 O16 P8 -","8","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.54184","CuKα","","0.0804","0.0679","","","0.1723","0.1799","","","","","","1.122","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154226","8.32","0.0004","8.3517","0.0005","11.5876","0.0006","96.038","0.004","90.854","0.004","100.324","0.005","787.28","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 Br O2 P -","- C17 H18 Br O2 P -","- C34 H36 Br2 O4 P2 -","2","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.7107","MoKα","","0.0319","0.0262","","","0.0569","0.059","","","","","","1.055","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154227","9.58114","0.00014","17.273","0.0002","11.63272","0.00016","90","","98.4889","0.0014","90","","1904.07","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 O2 P -","- C23 H23 O2 P -","- C92 H92 O8 P4 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.54184","CuKα","","0.0363","0.0335","","","0.0868","0.0892","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154228","10.8596","0.0004","17.6855","0.0006","18.0481","0.0007","63.547","0.004","75.76","0.003","89.15","0.003","2990","0.2","58","60","58","60","","","","","","","","4","P -1","-P 1","2","","","","- C34 H37 O4.5 P2 -","- C34 H37 O4.5 P2 -","- C136 H148 O18 P8 -","4","2","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.71073","MoKα","","0.0665","0.048","","","0.1151","0.1257","","","","","","1.012","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7154229","17.3691","0.0011","11.8081","0.0008","17.9776","0.0013","90","","118.401","0.001","90","","3243.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 Cl N12 S2 -","- C27 H45 Cl N12 S2 -","- C108 H180 Cl4 N48 S8 -","4","1","","Merckx, Tamara; Haynes, Cally J. E.; Karagiannidis, Louise E.; Clarke, Harriet J.; Holder, Katie; Kelly, Alexandra; Tizzard, Graham J.; Coles, Simon J.; Verwilst, Peter; Gale, Philip A.; Dehaen, Wim","Anion binding and transport properties of cyclic 2,6-bis(1,2,3-triazol-1-yl)pyridines.","Organic & biomolecular chemistry","2015","13","6","1654","1661","10.1039/c4ob02236j","","x-ray","0.71075","MoKα","K-L~3~","0.0378","0.0314","","","0.0816","0.0854","","","","","","1.047","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154230","10.391","0.002","16.944","0.004","18.9","0.004","107.255","0.002","90.906","0.002","96.74","0.002","3151.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl N12 O0.5 S2 -","- C26 H35 Cl N12 O0.5 S2 -","- C104 H140 Cl4 N48 O2 S8 -","4","2","","Merckx, Tamara; Haynes, Cally J. E.; Karagiannidis, Louise E.; Clarke, Harriet J.; Holder, Katie; Kelly, Alexandra; Tizzard, Graham J.; Coles, Simon J.; Verwilst, Peter; Gale, Philip A.; Dehaen, Wim","Anion binding and transport properties of cyclic 2,6-bis(1,2,3-triazol-1-yl)pyridines.","Organic & biomolecular chemistry","2015","13","6","1654","1661","10.1039/c4ob02236j","","x-ray","0.6889","Synchrotron","","0.1459","0.0832","","","0.2143","0.2721","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154231","10.1456","0.0007","15.6738","0.0011","19.0361","0.0013","91.48","0.005","97.78","0.005","94.128","0.005","2989.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H36 Cl N13 S2 -","- C25 H36 Cl N13 S2 -","- C100 H144 Cl4 N52 S8 -","4","2","","Merckx, Tamara; Haynes, Cally J. E.; Karagiannidis, Louise E.; Clarke, Harriet J.; Holder, Katie; Kelly, Alexandra; Tizzard, Graham J.; Coles, Simon J.; Verwilst, Peter; Gale, Philip A.; Dehaen, Wim","Anion binding and transport properties of cyclic 2,6-bis(1,2,3-triazol-1-yl)pyridines.","Organic & biomolecular chemistry","2015","13","6","1654","1661","10.1039/c4ob02236j","","x-ray","0.71075","MoKα","K-L~3~","0.1201","0.0797","","","0.2159","0.2484","","","","","","1.025","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154232","12.002","0.0009","14.6553","0.001","15.1609","0.0013","79.909","0.006","70.047","0.007","81.089","0.006","2454.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H36 Cl6 N6 Ni S -","- C56 H36 Cl6 N6 Ni S -","- C112 H72 Cl12 N12 Ni2 S2 -","2","1","","Singh, Dileep Kumar; Nath, Mahendra","Ambient temperature synthesis of β,β'-fused nickel(ii) pyrrolo[1,2-a]pyrazinoporphyrins via a DBSA-catalyzed Pictet-Spengler approach.","Organic & biomolecular chemistry","2015","13","6","1836","1845","10.1039/c4ob02370f","","","0.71073","MoKα","","0.0964","0.0844","","","0.2479","0.2611","","","","","","1.021","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154233","13.3636","0.0013","29.0621","0.0018","12.7286","0.0011","90","","116.573","0.012","90","","4421.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H33 Cl3 N6 Ni S -","- C54 H33 Cl3 N6 Ni S -","- C216 H132 Cl12 N24 Ni4 S4 -","4","1","","Singh, Dileep Kumar; Nath, Mahendra","Ambient temperature synthesis of β,β'-fused nickel(ii) pyrrolo[1,2-a]pyrazinoporphyrins via a DBSA-catalyzed Pictet-Spengler approach.","Organic & biomolecular chemistry","2015","13","6","1836","1845","10.1039/c4ob02370f","","","0.71073","MoKα","","0.0894","0.0776","","","0.1907","0.1978","","","","","","1.141","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154234","7.4058","0.0006","12.3833","0.0012","18.9412","0.0018","90","","90","","90","","1737.1","0.3","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Pichler, Mathias; Novacek, Johanna; Robiette, Raphaël; Poscher, Vanessa; Himmelsbach, Markus; Monkowius, Uwe; Müller, Norbert; Waser, Mario","Asymmetric syntheses of three-membered heterocycles using chiral amide-based ammonium ylides.","Organic & biomolecular chemistry","2015","13","7","2092","2099","10.1039/c4ob02318h","","","0.71073","MoKα","","0.04","0.0352","","","0.0934","0.0978","","","","","","1.043","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154235","7.8797","0.0017","12.465","0.003","25.404","0.004","90","","90","","90","","2495.2","0.9","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Br N2 O4 -","- C25 H29 Br N2 O4 -","- C100 H116 Br4 N8 O16 -","4","1","","Pichler, Mathias; Novacek, Johanna; Robiette, Raphaël; Poscher, Vanessa; Himmelsbach, Markus; Monkowius, Uwe; Müller, Norbert; Waser, Mario","Asymmetric syntheses of three-membered heterocycles using chiral amide-based ammonium ylides.","Organic & biomolecular chemistry","2015","13","7","2092","2099","10.1039/c4ob02318h","","","0.71073","MoKα","","0.0794","0.047","","","0.0948","0.1078","","","","","","0.989","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154236","10.0269","0.0003","11.0127","0.0003","19.1212","0.0005","100.996","0.002","90.025","0.002","90.667","0.001","2072.51","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","foldamers","","","- C18 H27 N3 O7 S -","- C18 H27 N3 O7 S -","- C72 H108 N12 O28 S4 -","4","2","","Priya, Gowri; Kotmale, Amol S.; Chakravarty, Debamitra; Puranik, Vedavati G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Conformational modulation of peptides using β-amino benzenesulfonic acid ((S)Ant).","Organic & biomolecular chemistry","2015","13","7","2087","2091","10.1039/c4ob02421d","","","0.71073","MoKα","","0.0487","0.036","","","0.0829","0.0893","","","","","","1.015","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154237","5.83","0.003","9.556","0.004","31.119","0.014","90","","90","","90","","1733.7","1.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O8 -","- C18 H16 N2 O8 -","- C72 H64 N8 O32 -","4","1","","Jana, Anupam; Mondal, Sujit; Ghosh, Subrata","Studies towards the synthesis of bielschowskysin. Construction of the highly functionalized bicyclo[3.2.0]heptane segment.","Organic & biomolecular chemistry","2015","13","6","1846","1859","10.1039/c4ob02182g","","","0.71073","MoKα","","0.1106","0.0596","","","0.1321","0.1866","","","","","","0.999","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154238","26.4067","0.0019","8.6803","0.0006","13.9116","0.001","90","","97.632","0.003","90","","3160.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C144 H152 N8 O32 -","8","1","","Xie, Yuanwei; Que, Yonglei; Li, Tuanjie; Zhu, Ling; Yu, Chenxia; Yao, Changsheng","N-heterocyclic carbene-catalyzed [4 + 2] cyclization of 2-bromo-2-enal with 3-alkylenyloxindoles: efficient assembly of spirocarbocyclic oxindole.","Organic & biomolecular chemistry","2015","13","6","1829","1835","10.1039/c4ob01706d","","","0.71073","MoKα","","0.0498","0.0422","","","0.1178","0.1292","","","","","","1.044","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154239","8.1644","0.0009","10.198","0.0011","21.107","0.002","90","","101.151","0.001","90","","1724.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","","Mao, Dan; Tang, Jun; Wang, Wenbo; Liu, Xin; Wu, Shengying; Yu, Jianjun; Wang, Limin","A Sc(OTf)3-catalyzed cascade reaction of o-aminoacetophenone with methanamine: construction of dibenzo[b,h][1,6]naphthyridine derivatives.","Organic & biomolecular chemistry","2015","13","7","2122","2128","10.1039/c4ob02220c","","","0.71073","MoKα","","0.07","0.0557","","","0.1587","0.1697","","","","","","1.095","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154240","7.5151","0.0002","8.3328","0.0002","13.0372","0.0004","88.341","0.002","76.984","0.002","67.407","0.001","732.89","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2-(2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)malonate","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C30 H36 N4 O10 -","2","1","","Stevens, Marc Y.; Wieckowski, Krzysztof; Wu, Peng; Sawant, Rajiv T.; Odell, Luke R.","A microwave-assisted multicomponent synthesis of substituted 3,4-dihydroquinazolinones.","Organic & biomolecular chemistry","2015","13","7","2044","2054","10.1039/c4ob02417f","","","0.71073","MoKα","","0.055","0.0447","","","0.1104","0.1175","","","","","","1.029","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154241","8.8818","0.0003","16.2625","0.0006","26.4923","0.0009","97.863","0.003","90.585","0.003","105.42","0.003","3649.8","0.2","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H71 Au3 Cl2 N9 O15 P3 -","- C64 H71 Au3 Cl2 N9 O15 P3 -","- C128 H142 Au6 Cl4 N18 O30 P6 -","2","1","","Moro, Artur J.; Rome, Bertrand; Aguiló, Elisabet; Arcau, Julià; Puttreddy, Rakesh; Rissanen, Kari; Lima, João Carlos; Rodríguez, Laura","A coumarin based gold(i)-alkynyl complex: a new class of supramolecular hydrogelators.","Organic & biomolecular chemistry","2015","13","7","2026","2033","10.1039/c4ob02077d","","x-ray","1.54184","CuKα","","0.0492","0.0415","","","0.11","0.114","","","","","","1.036","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154242","18.306","0.004","5.603","0.0011","16.578","0.003","90","","101.41","0.03","90","","1666.8","0.6","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","(Z)-4-(1-Fluoro-2-phenylprop-1-en-1-yl)-1-(3-phenylpropyl)-1H-1,2,3-triazole","","- C20 H20 F N3 -","- C20 H20 F N3 -","- C80 H80 F4 N12 -","4","1","","Kumar, Rakesh; Singh, Govindra; Todaro, Louis J.; Yang, Lijia; Zajc, Barbara","E- or Z-Selective synthesis of 4-fluorovinyl-1,2,3-triazoles with fluorinated second-generation Julia-Kocienski reagents.","Organic & biomolecular chemistry","2015","13","5","1536","1549","10.1039/c4ob02179g","","","0.71073","MoKα","","0.1243","0.061","","","0.1177","0.1395","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154243","11.6216","0.0006","20.8276","0.0009","11.8949","0.0007","90","","96.3419","0.0017","90","","2861.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Chloro-1',1''-dimethyl-4'-(4-methylphenyl)-5''-[(4-methylphenyl)methylidene]-dispiro[3H-indole-3,2'-pyrrolidine-3',3''-piperidine]-2(1H),4''-dione","","- C32 H32 Cl N3 O2 -","- C32 H32 Cl N3 O2 -","- C128 H128 Cl4 N12 O8 -","4","1","","Girgis, Adel S.; Panda, Siva S.; Farag, I. S. Ahmed; El-Shabiny, A M; Moustafa, A. M.; Ismail, Nasser S. M.; Pillai, Girinath G.; Panda, Chandramukhi S.; Hall, C. Dennis; Katritzky, Alan R.","Synthesis, and QSAR analysis of anti-oncological active spiro-alkaloids.","Organic & biomolecular chemistry","2015","13","6","1741","1753","10.1039/c4ob02149e","","","0.71073","MoKα","","0.3533","0.0685","","0.2459","0.1331","0.1331","","","","","","1.0301","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154244","10.7927","0.0007","11.6842","0.0008","12.384","0.001","81.436","0.005","87.887","0.005","69.366","0.005","1444.99","0.19","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Heinrich, Clément F; Miesch, Michel; Miesch, Laurence","In situ intramolecular catalytic 1,2-addition of allenoates to cyclic ketones towards polycyclic allenoates.","Organic & biomolecular chemistry","2015","13","7","2153","2156","10.1039/c4ob02451f","","","0.71073","Mo-Kα","","0.151","0.051","","0.239","","0.07","","","4.197","","","1.161","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154245","9.8087","0.0018","6.9137","0.0012","20.582","0.004","90","","97.156","0.005","90","","1384.9","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Heinrich, Clément F; Miesch, Michel; Miesch, Laurence","In situ intramolecular catalytic 1,2-addition of allenoates to cyclic ketones towards polycyclic allenoates.","Organic & biomolecular chemistry","2015","13","7","2153","2156","10.1039/c4ob02451f","","","0.71073","MoKα","","0.1575","0.0588","","","0.1137","0.1432","","","","","","1.062","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154246","7.8484","0.0002","19.3484","0.0004","17.9841","0.0004","90","","93.426","0.001","90","","2726.08","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","","Heinrich, Clément F; Miesch, Michel; Miesch, Laurence","In situ intramolecular catalytic 1,2-addition of allenoates to cyclic ketones towards polycyclic allenoates.","Organic & biomolecular chemistry","2015","13","7","2153","2156","10.1039/c4ob02451f","","","0.71073","MoKα","","0.0873","0.0598","","","0.1616","0.1829","","","","","","1.028","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154247","14.1867","0.0012","12.1288","0.001","34.654","0.003","90","0.004","92.316","0.004","90","0.004","5958","0.9","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H40.5 N2.5 O4.5 S -","- C30 H40.5 N2.5 O4.5 S -","- C240 H324 N20 O36 S8 -","8","2","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.064","","","","0.239","","","","","","0.92","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154248","27.834","0.01","8.119","0.003","8.839","0.003","90","","90","","90","","1997.5","1.2","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.0692","","","","0.1792","","","","","","1.124","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154249","10.077","0.003","14.486","0.005","12.738","0.004","90","","91.567","0.009","90","","1858.7","1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl N O2 -","- C21 H24 Cl N O2 -","- C84 H96 Cl4 N4 O8 -","4","1","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.0557","","","","0.148","","","","","","1.042","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154250","13.7407","0.0018","15.432","0.002","24.564","0.003","90","","90","","90","","5208.7","1.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H30 O9 -","- C28 H30 O9 -","- C224 H240 O72 -","8","1","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.1189","0.0756","","","0.201","0.2417","","","","","","0.792","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154251","10.9061","0.0008","13.3097","0.001","21.2966","0.0015","90","","90.467","0.001","90","","3091.2","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 O12 -","- C32 H36 O12 -","- C128 H144 O48 -","4","1","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.0683","0.0523","","","0.1332","0.1444","","","","","","1.032","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154252","13.2799","0.0012","15.4053","0.0014","26.172","0.003","90","","100.352","0.002","90","","5267.1","0.9","240","2","240","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 O7.5 -","- C27 H26 O7.5 -","- C216 H208 O60 -","8","2","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.0974","0.058","","","0.1406","0.1623","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154253","11.5941","0.0013","10.9801","0.0012","23.784","0.002","90","","112.074","0.006","90","","2805.9","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 O10 -","- C30 H34 O10 -","- C120 H136 O40 -","4","1","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.0912","0.0862","","","0.0952","0.0957","","","","","","2.77","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154254","9.2888","0.0002","6.043","0.0001","27.8317","0.0006","90","","90","","90","","1562.26","0.05","150","2","150.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.5418","CuKα","","0.0321","0.0309","","","0.082","0.0833","","","","","","1.044","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154255","27.3686","0.0006","6.32664","0.00013","8.74746","0.00017","90","","90","","90","","1514.63","0.05","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.5418","CuKα","","0.0346","0.0343","","","0.0913","0.0915","","","","","","1.035","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154256","5.3351","0.0003","10.0384","0.0005","15.6306","0.0009","106.562","0.005","98.033","0.005","95.518","0.004","786.31","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.54184","CuKα","","0.0444","0.042","","","0.1158","0.1183","","","","","","1.049","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154257","7.4735","0.0006","23.4154","0.0011","7.4325","0.0007","90","","102.242","0.003","90","","1271.07","0.17","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","","Xuan, Jun; Pan, Saiyong; Zhang, Yuanbao; Ye, Bin; Ding, Hanfeng","Construction of the tricyclic core of steenkrotin-type diterpenoids via intramolecular [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2015","13","6","1643","1646","10.1039/c4ob02439g","","","0.71073","MoKα","","0.0661","0.062","","","0.1505","0.1543","","","","","","1.004","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154258","20.294","0.003","6.4701","0.0008","15.4757","0.0017","90","","96.306","0.004","90","","2019.7","0.4","213","2","213","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H28 O5 S -","- C23 H28 O5 S -","- C92 H112 O20 S4 -","4","1","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0768","0.0598","","","0.1608","0.172","","","","","","1.17","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154259","10.4931","0.0008","11.5171","0.001","28.284","0.002","90","","91.379","0.004","90","","3417.1","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H42 O12 S3 -","- C29 H42 O12 S3 -","- C116 H168 O48 S12 -","4","2","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0843","0.0605","","","0.1574","0.1826","","","","","","0.994","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154260","5.227","0.0006","25.122","0.003","16.5667","0.0018","90","","99.08","","90","","2148.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 O10 S3 -","- C17 H24 O10 S3 -","- C68 H96 O40 S12 -","4","2","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0896","0.0674","","","0.1116","0.1632","","","","","","1.029","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154261","15.814","0.004","14.779","0.003","21.657","0.005","90","","96.603","0.004","90","","5028","2","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H90 N2 O24 -","- C84 H90 N2 O24 -","- C168 H180 N4 O48 -","2","0.5","","Zeng, Fei; Chen, Chuan-Feng","Synthesis of a novel water-soluble cylindrical macrotricyclic host and its complexation with N-methylquinolinium and N-methylisoquinolinium salts: formation of 1 : 2 complexes in water.","Organic & biomolecular chemistry","2015","13","7","1988","1991","10.1039/c4ob02533d","","","0.71073","MoKα","","0.1401","0.1131","","","0.287","0.3004","","","","","","1.622","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154262","7.536","0.0015","15.774","0.003","14.325","0.003","90","","101.14","0.03","90","","1670.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Kumar, Tarun; Verma, Deepti; Menna-Barreto, Rubem F S; Valença, Wagner O; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of imidazoles via cascade reaction of nitroallylic acetates with amidines and studies on their trypanocidal activity.","Organic & biomolecular chemistry","2015","13","7","1996","2000","10.1039/c4ob02561j","","","0.71073","MoKα","","0.114","0.0727","","","0.1632","0.2026","","","","","","1.09","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154263","5.5082","0.0017","10.112","0.002","11.961","0.002","66.024","0.017","83.58","0.03","78.23","0.02","595.6","0.3","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C27 H25 N O6 S -","- C27 H25 N O6 S -","- C27 H25 N O6 S -","1","1","","Yeh, Pei-Pei; Daniels, David S. B.; Fallan, Charlene; Gould, Eoin; Simal, Carmen; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Exploring the scope of the isothiourea-mediated synthesis of dihydropyridinones.","Organic & biomolecular chemistry","2015","13","7","2177","2191","10.1039/c4ob02408g","","","0.71075","MoKα","","0.0445","0.042","","","0.0936","0.0958","","","","","","1.047","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154264","12.537","0.003","8.0131","0.0015","12.749","0.004","90","","111.21","0.007","90","","1194","0.5","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 N O6 S -","- C26 H23 N O6 S -","- C52 H46 N2 O12 S2 -","2","1","","Yeh, Pei-Pei; Daniels, David S. B.; Fallan, Charlene; Gould, Eoin; Simal, Carmen; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Exploring the scope of the isothiourea-mediated synthesis of dihydropyridinones.","Organic & biomolecular chemistry","2015","13","7","2177","2191","10.1039/c4ob02408g","","","1.54187","CuKα","","0.0492","0.0466","","","0.1152","0.1166","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154265","10.418","0.006","14.443","0.007","17.001","0.008","90","","90.66","0.04","90","","2558","2","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H72 B2 Li2 N2 O8 S2 -","- C46 H72 B2 Li2 N2 O8 S2 -","- C92 H144 B4 Li4 N4 O16 S4 -","2","1","","Xu, Di; Dai, Li; Catellani, Marta; Motti, Elena; Della Ca', Nicola; Zhou, Zhiming","A novel enantioselective synthesis of 6H-dibenzopyran derivatives by combined palladium/norbornene and cinchona alkaloid catalysis.","Organic & biomolecular chemistry","2015","13","8","2260","2263","10.1039/c4ob02551b","","","0.7107","MoKα","","0.1114","0.0522","","","0.1198","0.14","","","","","","1.029","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154266","7.2904","0.0003","10.5177","0.0004","31.1288","0.001","90","","90","","90","","2386.9","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","PNP Pincer Pd","PN tBuMePdCl2","","- C17 H31 Cl2 N P2 Pd -","- C17 H31 Cl2.003 N P2 Pd -","- C68 H124 Cl8.012 N4 P8 Pd4 -","4","1","","Yang, Zehua; Xia, Chao; Liu, Delong; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","P-stereogenic PNP pincer-Pd catalyzed intramolecular hydroamination of amino-1,3-dienes.","Organic & biomolecular chemistry","2015","13","9","2694","2702","10.1039/c4ob02402h","","","0.71073","MoKα","","0.0593","0.0531","","","0.1625","0.1701","","","","","","1.143","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154267","10.9708","0.0004","8.8036","0.0003","11.9111","0.0005","90","","101.686","0.004","90","","1126.56","0.08","171.4","","171.4","","","","","","","","","5","P 1 n 1","P -2yac","7","5o","5o","","- C27 H29 N O2 S -","- C27 H29 N O2 S -","- C54 H58 N2 O4 S2 -","2","1","","Yang, Zehua; Xia, Chao; Liu, Delong; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","P-stereogenic PNP pincer-Pd catalyzed intramolecular hydroamination of amino-1,3-dienes.","Organic & biomolecular chemistry","2015","13","9","2694","2702","10.1039/c4ob02402h","","","1.54184","CuKα","","0.0565","0.0517","","","0.1351","0.1417","","","","","","1.033","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154268","8.778","0.005","27.635","0.005","7.797","0.005","90","","105.261","0.005","90","","1824.7","1.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-4-(9H-carbazol-9-yl)-N'-hydroxybenzimidamide","zzq0923","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","","Yang, Chu-Ting; Han, Jun; Liu, Jun; Gu, Mei; Li, Yi; Wen, Jun; Yu, Hai-Zhu; Hu, Sheng; Wang, Xiaolin","""One-pot"" synthesis of amidoxime via Pd-catalyzed cyanation and amidoximation.","Organic & biomolecular chemistry","2015","13","9","2541","2545","10.1039/c4ob02456g","","","0.71073","MoKα","","0.0952","0.0729","","","0.1903","0.1987","","","","","","1.085","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154269","8.928","0.0004","10.0923","0.0004","11.9044","0.0005","95.027","0.001","93.172","0.001","98.991","0.002","1052.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Bakthadoss, M.; Kannan, D.; Srinivasan, J.; Vinayagam, V.","Highly regio- and diastereo-selective synthesis of novel tri- and tetra-cyclic perhydroquinoline architectures via an intramolecular [3 + 2] cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","10","2870","2874","10.1039/c4ob02203c","","","0.71073","MoKα","","0.0948","0.0626","","","0.1658","0.1904","","","","","","1.049","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154270","11.0752","0.0003","10.8473","0.0002","18.1152","0.0004","90","","103.625","0.002","90","","2115.04","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O3 -","- C28 H24 N2 O3 -","- C112 H96 N8 O12 -","4","1","","Bakthadoss, M.; Kannan, D.; Srinivasan, J.; Vinayagam, V.","Highly regio- and diastereo-selective synthesis of novel tri- and tetra-cyclic perhydroquinoline architectures via an intramolecular [3 + 2] cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","10","2870","2874","10.1039/c4ob02203c","","","0.71073","MoKα","","0.0868","0.0447","","","0.0997","0.1184","","","","","","1.014","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154271","10.3767","0.0004","10.8064","0.0004","15.0426","0.0005","75.845","0.002","76.824","0.002","62.065","0.002","1432.29","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O4 S -","- C32 H36 N2 O4 S -","- C64 H72 N4 O8 S2 -","2","1","","Bakthadoss, M.; Kannan, D.; Srinivasan, J.; Vinayagam, V.","Highly regio- and diastereo-selective synthesis of novel tri- and tetra-cyclic perhydroquinoline architectures via an intramolecular [3 + 2] cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","10","2870","2874","10.1039/c4ob02203c","","","0.71073","MoKα","","0.0545","0.0448","","","0.119","0.1289","","","","","","1.03","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154272","9.2474","0.0015","21.492","0.003","8.1455","0.0013","90","","93.323","0.003","90","","1616.2","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 7-Methylene-6-oxo-6,7-dihydrobenzo[2,3]azepino[4,5-b]indole-12(5H)-carboxylate","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C80 H64 N8 O12 -","4","1","","Denis, J. G.; Franci, G.; Altucci, L.; Aurrecoechea, J. M.; de Lera, Á R; Álvarez, R","Synthesis of 7-alkylidene-7,12-dihydroindolo[3,2-d]benzazepine-6-(5H)-ones (7-alkylidene-paullones) by N-cyclization-oxidative Heck cascade and characterization as sirtuin modulators.","Organic & biomolecular chemistry","2015","13","9","2800","2810","10.1039/c4ob02493a","","","0.71073","MoKα","","0.0444","0.0339","","","0.0859","0.0959","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154273","10.7866","0.0018","14.366","0.002","13.573","0.002","90","","111.734","0.003","90","","1953.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-Ethyl 7-(2-Ethoxy-2-oxoethylene)-6-oxo-6,7-dihydrobenzo[2,3]azepino[4,5-b]indole-12(5H)-carboxylate","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C92 H80 N8 O20 -","4","1","","Denis, J. G.; Franci, G.; Altucci, L.; Aurrecoechea, J. M.; de Lera, Á R; Álvarez, R","Synthesis of 7-alkylidene-7,12-dihydroindolo[3,2-d]benzazepine-6-(5H)-ones (7-alkylidene-paullones) by N-cyclization-oxidative Heck cascade and characterization as sirtuin modulators.","Organic & biomolecular chemistry","2015","13","9","2800","2810","10.1039/c4ob02493a","","","0.71073","MoKα","","0.0676","0.0376","","","0.0853","0.1058","","","","","","1.021","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154274","6.046","0.006","10.17","0.02","24.25","0.02","90","","90","","90","","1491","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2-ethyl-1-((S)-2-oxo-4-phenyloxazolidin-3-yl)butane-1,3-dione","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Targel, Tom A.; Kumar, Jayprakash N.; Shneider, O. Svetlana; Bar, Sukanta; Fridman, Natalia; Maximenko, Shimon; Szpilman, Alex M.","Oxidative asymmetric umpolung alkylation of Evans' β-ketoimides using dialkylzinc nucleophiles.","Organic & biomolecular chemistry","2015","13","9","2546","2549","10.1039/c4ob02601b","","","0.71073","MoKα","","0.0712","0.0459","","","0.1114","0.1227","","","","","","1.028","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154275","14.9779","0.0006","15.1104","0.0006","23.1992","0.0008","86.107","0.002","81.276","0.002","67.781","0.002","4804.1","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C46 H48 Cl2 N14 O6 -","- C46 H48 Cl2 N14 O6 -","- C184 H192 Cl8 N56 O24 -","4","4","","Santos, Miguel M.; Marques, Igor; Carvalho, Sílvia; Moiteiro, Cristina; Félix, Vítor","Recognition of bio-relevant dicarboxylate anions by an azacalix[2]arene[2]triazine derivative decorated with urea moieties.","Organic & biomolecular chemistry","2015","13","10","3070","3085","10.1039/c4ob02283a","","","0.71073","MoKα","","0.0886","0.0606","","","0.1366","0.1507","","","","","","1.037","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154276","19.9112","0.0005","4.5568","0.0002","21.2328","0.0006","90","","97.948","0.002","90","","1907.97","0.11","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,E)-6-amino-8-(4-methoxystyryl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile","","- C20.5 H17 Cl N2 O4 -","- C20.5 H17 Cl N2 O4 -","- C82 H68 Cl4 N8 O16 -","4","2","","Adili, Alafate; Tao, Zhong-Lin; Chen, Dian-Feng; Han, Zhi-Yong","Quinine-catalyzed highly enantioselective cycloannulation of o-quinone methides with malononitrile.","Organic & biomolecular chemistry","2015","13","8","2247","2250","10.1039/c4ob02602k","","","1.54184","CuKα","","0.0562","0.0484","","","0.1371","0.1466","","","","","","1.054","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7154277","11.4383","0.0013","11.6596","0.0015","9.4849","0.0012","90","","104.523","0.003","90","","1224.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F O2 S -","- C14 H11 F O2 S -","- C56 H44 F4 O8 S4 -","4","1","","Malwal, Satish R.; Chakrapani, Harinath","Benzosulfones as photochemically activated sulfur dioxide (SO2) donors.","Organic & biomolecular chemistry","2015","13","8","2399","2406","10.1039/c4ob02466d","","","0.71073","MoKα","","0.0422","0.0341","","","0.0999","0.1042","","","","","","1.491","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154278","5.5351","0.0006","11.2034","0.0012","21.678","0.002","90","","90","","90","","1344.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 F N2 O6 -","- C12 H13 F N2 O6 -","- C48 H52 F4 N8 O24 -","4","1","","Kwiatkowski, Jacek; Lu, Yixin","Asymmetric Michael addition of α-fluoro-α-nitro esters to nitroolefins: towards synthesis of α-fluoro-α-substituted amino acids.","Organic & biomolecular chemistry","2015","13","8","2350","2359","10.1039/c4ob02486a","","","1.54178","CuKα","","0.0253","0.025","","","0.0655","0.0658","","","","","","1.094","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154279","8.1432","0.0016","15.506","0.003","19.315","0.004","90","","99.992","0.003","90","","2401.9","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Nagaraju, Vemu; Purnachander, Dalovai; Mangina, N. S. V. M. Rao; Suresh, Surisetti; Sridhar, Balasubramanian; Karunakar, Galla V.","Reaction of β-enaminones and acetylene dicarboxylates: synthesis of substituted 1,2-dihydropyridinones.","Organic & biomolecular chemistry","2015","13","10","3011","3023","10.1039/c4ob01578a","","","0.71073","MoKα","","0.0865","0.0604","","","0.1685","0.1855","","","","","","1.051","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154280","15.749","0.002","15.991","0.002","16.15","0.003","61.74","0.02","63.39","0.02","62.81","0.03","3044.2","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Cl Fe N6 O6 -","- C58 H52 Cl Fe N6 O6 -","- C116 H104 Cl2 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","0.71073","MoKα","","0.0607","0.044","","","0.1078","0.113","","","","","","0.946","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154281","12.29","0.0014","14.996","0.0016","16.269","0.002","98.514","0.008","106.348","0.01","99.374","0.009","2778.6","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H49 Cl7 Fe N6 O6 -","- C57 H49 Cl7 Fe N6 O6 -","- C114 H98 Cl14 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0821","0.0767","","","0.2156","0.2266","","","","","","1.063","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154282","14.527","0.0013","30.638","0.003","12.3382","0.001","90","","97.26","0.006","90","","5447.4","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Cl Fe N6 O6 -","- C56 H48 Cl Fe N6 O6 -","- C224 H192 Cl4 Fe4 N24 O24 -","4","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0845","0.0762","","","0.2143","0.2285","","","","","","1.076","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154283","15.923","0.0014","16.738","0.0015","22.371","0.002","91.302","0.013","93.701","0.008","90.604","0.006","5947.9","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H50 Cl Fe N6 O6 -","- C57 H50 Cl Fe N6 O6 -","- C228 H200 Cl4 Fe4 N24 O24 -","4","2","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.1038","0.0919","","","0.2547","0.2699","","","","","","1.026","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154284","14.0827","0.0012","16.3185","0.0017","16.6591","0.0018","62.671","0.012","75","0.02","71.377","0.019","3194.3","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H54 Cl Fe N6 O6 -","- C59 H54 Cl Fe N6 O6 -","- C118 H108 Cl2 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0864","0.0775","","","0.2092","0.2225","","","","","","0.999","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154285","15.2","0.0013","16.065","0.0015","16.305","0.0016","115.096","0.008","116.65","0.001","94.005","0.004","3051.7","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Cl Fe N6 O6 -","- C60 H56 Cl Fe N6 O6 -","- C120 H112 Cl2 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0868","0.0804","","","0.2083","0.2204","","","","","","1.113","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154286","29.9748","0.0004","29.9748","0.0004","29.9748","0.0004","90","","90","","90","","26932","0.6","119.8","0.6","120","","","","","","","","","4","I 2 3","I 2 2 3","197","","gamma-cyclodextrin duplex","","- C48 H78 O86.066 S2 -","- C48 H78 O86.1087 S2 -","- C576 H936 O1033.3 S24 -","12","0.5","","Volkov, Sergey; Kumprecht, Lukáš; Buděšínský, Miloš; Lepšík, Martin; Dušek, Michal; Kraus, Tomáš","A γ-cyclodextrin duplex connected with two disulfide bonds: synthesis, structure and inclusion complexes.","Organic & biomolecular chemistry","2015","13","10","2980","2985","10.1039/c4ob02464h","","x-ray","1.54184","CuKα","","0.15","0.1089","","","0.2348","0.249","","","","3.34","3.34","2.77","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154287","9.5097","0.0004","10.4987","0.0004","19.3484","0.0007","90","","96.431","0.002","90","","1919.58","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 I N2 O2 -","- C22 H15 I N2 O2 -","- C88 H60 I4 N8 O8 -","4","1","","Bharathiraja, Ganesan; Sengoden, Mani; Kannan, Masanam; Punniyamurthy, Tharmalingam","Expedient synthesis of tetrasubstituted pyrroles via a copper-catalyzed cascade inter-/intramolecular cyclization of 1,3-enynes carry a nitro group with amines.","Organic & biomolecular chemistry","2015","13","9","2786","2792","10.1039/c4ob02508c","","","0.71073","MoKα","","0.0561","0.0378","","","0.1179","0.1328","","","","","","0.914","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154288","12.1483","0.0004","13.9559","0.0004","13.7585","0.0004","90","","90.921","0.002","90","","2332.32","0.12","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R*,5R*)-Dimethyl 3-(2-ethoxy-2-oxoethyl)-1-(4-methoxyphenyl)-5-phenylpyrrolidine-2,2-dicarboxylate","","- C25 H29 N O7 -","- C24.195 H26.235 N O6.77 -","- C96.78 H104.94 N4 O27.08 -","4","1","","Medvedev, J. J.; Galkina, O. S.; Klinkova, A. A.; Giera, D. S.; Hennig, L.; Schneider, C.; Nikolaev, V. A.","Domino [4 + 1]-annulation of α,β-unsaturated δ-amino esters with Rh(ii)-carbenoids - a new approach towards multi-functionalized N-aryl pyrrolidines.","Organic & biomolecular chemistry","2015","13","9","2640","2651","10.1039/c4ob02454k","","","0.71073","MoKα","","0.0812","0.0418","","","0.089","0.0964","","","","","","0.891","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154289","6.7186","0.0002","15.8096","0.0005","26.5176","0.0007","90","","90","","90","","2816.66","0.14","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 Br N4 O5 S -","- C27 H33 Br N4 O5 S -","- C108 H132 Br4 N16 O20 S4 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.1125","0.0698","","","0.1008","0.1124","","","","","","1.067","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154290","18.6244","0.0011","8.4267","0.0004","16.0611","0.0008","90","","93.118","0.005","90","","2516.9","0.2","297","2","297","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H32 N4 O6 S2 -","- C21 H32 N4 O6 S2 -","- C84 H128 N16 O24 S8 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0474","0.043","","","0.1128","0.1171","","","","","","1.039","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154291","8.106","0.0012","10.5928","0.0016","14.983","0.002","90","","96.273","0.008","90","","1278.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Br N4 O6 S2 -","- C23 H27 Br N4 O6 S2 -","- C46 H54 Br2 N8 O12 S4 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0599","0.0355","","","0.0799","0.0875","","","","","","0.993","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154292","9.5896","0.0002","14.7665","0.0003","14.7848","0.0003","90","","90","","90","","2093.6","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N4 O6 S2 -","- C17 H26 N4 O6 S2 -","- C68 H104 N16 O24 S8 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0363","0.0346","","","0.0895","0.0908","","","","","","1.082","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154293","7.7425","0.0004","10.0108","0.0006","13.8284","0.0008","90","","102.033","0.003","90","","1048.27","0.1","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 N4 O6 S2 -","- C17 H26 N4 O6 S2 -","- C34 H52 N8 O12 S4 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0364","0.0317","","","0.0785","0.0819","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154294","9.2942","0.001","13.9119","0.0013","15.3096","0.0017","90","","90","","90","","1979.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N3 O4 S -","- C19 H20 Br N3 O4 S -","- C76 H80 Br4 N12 O16 S4 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0868","0.0432","","","0.0801","0.0926","","","","","","0.988","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154295","7.1146","0.0003","8.0387","0.0003","15.0865","0.0006","90.323","0.002","100.054","0.002","109.252","0.002","800.21","0.06","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O5 S -","- C14 H20 N2 O5 S -","- C28 H40 N4 O10 S2 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0441","0.0386","","","0.1109","0.1169","","","","","","1.059","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154296","6.0244","0.0004","11.844","0.0009","13.27","0.0013","93.58","0.02","94.51","0.02","94.85","0.05","938.26","0.16","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H21 F O2 -","- C25 H21 F O2 -","- C50 H42 F2 O4 -","2","2","","da Silva, Daniel Leite; Silva Terra, Bruna; Ribeiro Lage, Mateus; Lúcia Tasca Góis Ruiz, Ana; Capeletti da Silva, Cameron; Ernesto de Carvalho, João; Walkimar de Mesquita Carneiro, José; Terra Martins, Felipe; Antonio Fernades, Sergio; de Fátima, Ângelo","Xanthenones: calixarenes-catalyzed syntheses, anticancer activity and QSAR studies.","Organic & biomolecular chemistry","2015","13","11","3280","3287","10.1039/c4ob02611j","","","0.71073","MoKα","","0.0916","0.0788","","","0.2235","0.2343","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154297","10.1672","0.0017","6.8153","0.0014","22.813","0.005","90","","93.975","0.007","90","","1577","0.5","122","2","122","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N3 O6 -","- C15 H21 N3 O6 -","- C60 H84 N12 O24 -","4","1","","Ingemar Olsen, Jacob; Sauer, Stephan P. A.; Marcus Pedersen, Christian; Bols, Mikael","Exploring the relationship between the conformation and pKa: can a pKa value be used to determine the conformational equilibrium?","Organic & biomolecular chemistry","2015","13","10","3116","3121","10.1039/c4ob02630f","","","0.71073","MoKα","","0.0919","0.0461","","","0.0861","0.1019","","","","","","1.0504","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154298","6.1948","0.0003","10.9643","0.0005","11.253","0.0005","110.753","0.002","98.248","0.002","103.002","0.003","675.19","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H15 Cl N2 O S -","- C12 H15 Cl N2 O S -","- C24 H30 Cl2 N4 O2 S2 -","2","1","","Brockmeyer, Fabian; Morosow, Valentin; Martens, Jürgen","A new multicomponent reaction: unexpected formation of derivatizable cyclic α-alkoxy isothioureas.","Organic & biomolecular chemistry","2015","13","11","3341","3346","10.1039/c4ob02608j","","","0.71073","MoKα","","0.0781","0.0508","","","0.1131","0.1253","","","","","","1.045","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154299","7.9458","0.0003","12.8313","0.0005","27.3563","0.0012","101.325","0.004","93.68","0.003","101.932","0.003","2659.71","0.19","132","2","132","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H48 B10 O -","- C20 H48 B10 O -","- C80 H192 B40 O4 -","4","2","","Boggio, Paolo; Toppino, Antonio; Geninatti Crich, Simonetta; Alberti, Diego; Marabello, Domenica; Medana, Claudio; Prandi, Cristina; Venturello, Paolo; Aime, Silvio; Deagostino, Annamaria","The hydroboration reaction as a key for a straightforward synthesis of new MRI-NCT agents.","Organic & biomolecular chemistry","2015","13","11","3288","3297","10.1039/c4ob02291b","","","1.5418","CuKα","","0.0778","0.0534","","","0.1322","0.149","","","","","","1.026","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154300","11.644","0.003","14.685","0.002","11.1346","0.0019","90","","91.878","0.012","90","","1902.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(4-Chlorophenyl)-2-(2-hydroxybenzoyl)-4H-furo[3,2-c]chromen-4-one","4c","","- C24 H13 Cl O5 -","- C24 H13 Cl O5 -","- C96 H52 Cl4 O20 -","4","1","","Zhang, W. L.; Yue, S. N.; Shen, Y. M.; Hu, H. Y.; Meng, Q.-H.; Wu, H.; Liu, Y.","Copper(ii) bromide-catalyzed intramolecular decarboxylative functionalization to form a C(sp(3))-O bond for the synthesis of furo[3,2-c]coumarins.","Organic & biomolecular chemistry","2015","13","12","3602","3609","10.1039/c4ob02490g","","","0.71073","MoKα","","0.1312","0.0676","","","0.1595","0.211","","","","","","1.01","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154301","17.409","0.003","11.222","0.002","21.848","0.004","90","","90","","90","","4268.3","1.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(2-(2-Hydroxy-5-methylbenzoyl)-8-methyl-4-oxo-4H-furo[3,2-c]chromen-3-yl)benzonitrile","5c","","- C27 H17 N O5 -","- C27 H17 N O5 -","- C216 H136 N8 O40 -","8","1","","Zhang, W. L.; Yue, S. N.; Shen, Y. M.; Hu, H. Y.; Meng, Q.-H.; Wu, H.; Liu, Y.","Copper(ii) bromide-catalyzed intramolecular decarboxylative functionalization to form a C(sp(3))-O bond for the synthesis of furo[3,2-c]coumarins.","Organic & biomolecular chemistry","2015","13","12","3602","3609","10.1039/c4ob02490g","","","0.71073","MoKα","","0.0732","0.0493","","","0.128","0.1485","","","","","","1.041","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154302","9.6625","0.0002","23.9818","0.0006","10.8059","0.0002","90","","115.753","0.0007","90","","2255.29","0.09","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Br N5 O -","- C26 H22 Br N5 O -","- C104 H88 Br4 N20 O4 -","4","1","","Kamlar, M.; Císařová, I; Veselý, J","Alkynylation of heterocyclic compounds using hypervalent iodine reagent.","Organic & biomolecular chemistry","2015","13","10","2884","2889","10.1039/c4ob02625j","","","0.71073","MoKα","","0.0701","0.0498","","","0.117","0.1257","","","","","","1.056","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154303","23.59","0.003","12.9016","0.0015","18.644","0.002","90","","98.267","0.002","90","","5615.3","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(anthracen-9-yl)-1H-inden-3-yl dicyclohexylphosphine","","- C35 H37 P -","- C35 H37 P -","- C280 H296 P8 -","8","1","","Chen, You; Peng, Hui; Pi, Yun-Xiao; Meng, Tong; Lian, Ze-Yu; Yan, Meng-Qi; Liu, Yan; Liu, Sheng-Hua; Yu, Guang-Ao","Efficient phosphine ligands for the one-pot palladium-catalyzed borylation/Suzuki-Miyaura cross-coupling reaction.","Organic & biomolecular chemistry","2015","13","11","3236","3242","10.1039/c4ob02436b","","","0.71073","MoKα","","0.0681","0.047","","","0.1279","0.1494","","","","","","1.042","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154304","15.1668","0.0006","14.7772","0.0007","12.7612","0.0006","90","","90","","90","","2860.1","0.2","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C66 H70 N2 O4 S4 -","- C66 H70 N2 O4 S4 -","- C132 H140 N4 O8 S8 -","2","0.5","","Zhao, Jiang-Lin; Tomiyasu, Hirotsugu; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Rahman, Shofiur; Georghiou, Paris E.; Teat, Simon J.; Yamato, Takehiko","The first study about the relationship between the extractability of thiacalix[4]arene derivatives and the position of the coordination binding sites.","Organic & biomolecular chemistry","2015","13","11","3476","3483","10.1039/c4ob02393e","","","0.6525","synchrotron","","0.0386","0.0371","","","0.0993","0.1012","","","","","","1.031","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154305","8.932","0.005","11.791","0.005","11.668","0.005","90","0.005","99.317","0.005","90","0.005","1212.6","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl4 O2 -","- C11 H8 Cl4 O2 -","- C44 H32 Cl16 O8 -","4","1","","Nageswara Rao, Chintada; Ahmed Khan, Faiz","BF3-Et2O mediated skeletal rearrangements of norbornyl appended cyclopentanediols.","Organic & biomolecular chemistry","2015","13","9","2768","2775","10.1039/c4ob02423k","","","0.71069","MoKα","","0.0657","0.0321","","","0.0809","0.0853","","","","","","1.036","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154306","4.1231","0.0013","16.176","0.005","10.044","0.003","90","","94.086","0.007","90","","668.2","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O S -","- C16 H12 N2 O S -","- C32 H24 N4 O2 S2 -","2","1","","Qiu, Jing-Wen; Hu, Bo-Lun; Zhang, Xing-Guo; Tang, Ri-Yuan; Zhong, Ping; Li, Jin-Heng","Copper-catalyzed ring expansion of 2-aminobenzothiazoles with alkynyl carboxylic acids to 1,4-benzothiazines.","Organic & biomolecular chemistry","2015","13","10","3122","3127","10.1039/c4ob02467b","","","0.71073","MoKα","","0.0755","0.0746","","","0.1705","0.1711","","","","","","1.265","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154307","26.7092","0.0014","9.0357","0.0004","17.2708","0.0009","90","","90","","90","","4168.1","0.4","100","","100","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C53 H46 B2 N2 O3 -","- C53 H46 B2 N2 O3 -","- C212 H184 B8 N8 O12 -","4","0.5","","Wesela-Bauman, Grzegorz; Urban, Mateusz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Tuning of the colour and chemical stability of model boranils: a strong effect of structural modifications.","Organic & biomolecular chemistry","2015","13","11","3268","3279","10.1039/c4ob02545h","","","0.71073","MoKα","","0.093","0.0685","","0.1695","0.149","0.1694","","","","","","0.9995","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154308","27.206","0.005","6.873","0.005","10.231","0.005","90","0.005","92.155","0.005","90","0.005","1911.7","1.7","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C84 H80 O28 -","4","1","","Vidyasagar, Adiyala; Sureshan, Kana M.","Total syntheses of five uvacalols: structural validation of uvacalol A, uvacalol B and uvacalol C and disproval of the structures of uvacalol E and uvacalol G.","Organic & biomolecular chemistry","2015","13","13","3900","3910","10.1039/c4ob02663b","","","0.71073","MoKα","","0.038","0.0326","","","0.0939","0.1254","","","","","","1.194","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154309","19.1472","0.0017","5.7177","0.0005","22.9157","0.0019","90","","98.01","0.005","90","","2484.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromobenzoic acid 2-Ethoxycarbonyl-2-[3-methylene-1-(toluene-4-sulfonyl)-piperidin-4-yl]-ethyl ester","","- C25 H28 Br N O6 S -","- C25 H28 Br N O6 S -","- C100 H112 Br4 N4 O24 S4 -","4","1","","Pathak, Ravindra B.; Dobson, Benjamin C.; Ghosh, Nandita; Ageel, Khalid A.; Alshawish, Madeha R.; Saruengkhanphasit, Rungroj; Coldham, Iain","Synthesis of the tricyclic core of manzamine A.","Organic & biomolecular chemistry","2015","13","11","3331","3340","10.1039/c4ob02582b","","","0.71073","MoKα","","0.1169","0.044","","","0.0751","0.0951","","","","","","0.992","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154310","5.561","","6.229","","16.499","","90","","90","","90","","571.517","","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","0.5","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0948","0.0553","","","0.1257","0.1425","","","","","","0.907","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154311","14.054","0.001","11.4353","0.0006","21.489","0.001","90","","90","","90","","3453.5","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F4 N2 O P -","- C17 H13 F4 N2 O P -","- C136 H104 F32 N16 O8 P8 -","8","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0992","0.0612","","","0.1561","0.1785","","","","","","0.989","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154312","23.325","0.004","6.6111","0.0011","17.954","0.003","90","","98.023","0.015","90","","2741.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 F4 N3 O2 -","- C13 H9 F4 N3 O2 -","- C104 H72 F32 N24 O16 -","8","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.1829","0.0614","","","0.1365","0.1769","","","","","","0.825","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154313","9.031","0.0009","22.7184","0.0015","5.5619","0.0004","90","","99.42","0.007","90","","1125.75","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 F4 N2 O2 -","- C9 H10 F4 N2 O2 -","- C36 H40 F16 N8 O8 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.1632","0.0545","","","0.1339","0.1713","","","","","","0.825","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154314","9.2697","0.0008","5.3382","0.0005","10.8156","0.0008","90","","96.537","0.007","90","","531.71","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 F2 N O2 -","- C4 H5 F2 N O2 -","- C16 H20 F8 N4 O8 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.068","0.0496","","","0.1336","0.1524","","","","","","1.011","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154315","5.7282","0.0006","7.9911","0.0008","23.674","0.003","90","","92.336","0.01","90","","1082.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.111","0.0829","","","0.2092","0.2286","","","","","","1.037","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154316","6.464","0.0004","20.721","0.003","5.7018","0.0006","90","","97.017","0.007","90","","757.98","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O5 -","- C7 H7 N O5 -","- C28 H28 N4 O20 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0487","0.0353","","","0.0838","0.0897","","","","","","1.009","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154317","10.567","0.0007","20.0282","0.0012","6.842","0.0005","90","","95.652","0.002","90","","1440.99","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Fluoro-6-methylindolo[1,2-<i>f</i>]phenanthridine","","- C21 H14 F N -","- C21 H14 F N -","- C84 H56 F4 N4 -","4","1","","Ngo, Thang Ngoc; Ehlers, Peter; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter","Synthesis of indolo[1,2-f]phenanthridines by Pd-catalyzed domino C-N coupling/hydroamination/C-H arylation reactions.","Organic & biomolecular chemistry","2015","13","11","3321","3330","10.1039/c5ob00013k","","","0.71073","MoKα","","0.0674","0.0518","","","0.1216","0.1292","","","","","","1.095","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154318","12.04","0.004","11.834","0.003","17.361","0.005","90","","105.585","0.005","90","","2382.7","1.2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 F6 N2 O2 -","- C27 H24 F6 N2 O2 -","- C108 H96 F24 N8 O8 -","4","1","","Cheng, Hong-Bo; Huang, Yao-Dong; Zhao, Lina; Li, Xu; Wu, Hai-Chen","A prominent bathochromic shift effect of indole-containing diarylethene derivatives.","Organic & biomolecular chemistry","2015","13","11","3470","3475","10.1039/c4ob02619e","","","0.71073","MoKα","","0.0468","0.0384","","","0.096","0.1008","","","","","","1.062","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154319","11.085","0.003","11.91","0.003","15.798","0.004","90","","103.025","0.018","90","","2032","0.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","20120034","","","- C42 H39 Br N3 O3 S -","- C42 H39 Br N3 O6 S -","- C84 H78 Br2 N6 O12 S2 -","2","1","","Chen, Jian-Ping; Chen, Wen-Wen; Li, Yi; Xu, Ming-Hua","A highly diastereoselective Friedel-Crafts reaction of indoles with isatin-derived N-sulfinyl ketimines towards the efficient synthesis of chiral tetrasubstituted 3-indolyl-3-aminooxindoles.","Organic & biomolecular chemistry","2015","13","11","3363","3370","10.1039/c5ob00063g","","","0.71073","MoKα","","0.1925","0.0992","","","0.2484","0.333","","","","","","0.956","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154320","8.0644","0.0006","11.5331","0.001","8.2552","0.0008","90","","95.154","0.005","90","","764.69","0.11","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H16 Br N O4 S -","- C14 H16 Br N O4 S -","- C28 H32 Br2 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0264","0.026","","","0.0656","0.0659","","","","","","1.166","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154321","8.079","0.002","11.113","0.003","18.417","0.005","90","","90","","90","","1653.5","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br N4 O4 S -","- C14 H15 Br N4 O4 S -","- C56 H60 Br4 N16 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.024","0.0235","","","0.0567","0.0569","","","","","","1.091","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154322","8.1106","0.0016","15.869","0.003","13.458","0.003","90","","105.33","0.03","90","","1670.5","0.6","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Br N O4 S -","- C15 H18 Br N O4 S -","- C60 H72 Br4 N4 O16 S4 -","4","2","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0536","0.0481","","","0.0998","0.1043","","","","","","1.1","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154323","10.9","0.002","17.232","0.003","8.4931","0.0016","90","","90","","90","","1595.2","0.5","173.15","","173.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H18 Br N O4 S -","- C15 H18 Br N O4 S -","- C60 H72 Br4 N4 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0296","0.0288","","","0.0716","0.0722","","","","","","1.089","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154324","7.714","0.002","8.924","0.003","11.423","0.003","76.922","0.012","75.224","0.012","74.066","0.012","720.7","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 N O4 S -","- C13 H19 N O4 S -","- C26 H38 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0472","0.0454","","","0.1185","0.1198","","","","","","1.161","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154325","10.036","0.002","7.3432","0.0015","10.826","0.002","90","","111.23","0.03","90","","743.7","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N O4 S -","- C13 H21 N O4 S -","- C26 H42 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0278","0.0274","","","0.0668","0.0671","","","","","","1.076","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154326","5.6597","0.0012","15.69","0.003","24.567","0.005","90","","90","","90","","2181.6","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O5 S2 -","- C20 H24 Br N O5 S2 -","- C80 H96 Br4 N4 O20 S8 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0546","0.0474","","","0.078","0.0809","","","","","","1.104","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154327","8.116","0.002","14.954","0.005","13.474","0.004","90","","92.642","0.003","90","","1633.6","0.8","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O5 S -","- C15 H19 N O5 S -","- C60 H76 N4 O20 S4 -","4","2","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0339","0.0324","","","0.0726","0.0735","","","","","","1.065","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154328","7.963","0.002","11.336","0.003","20.402","0.005","90","","90","","90","","1841.7","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O4 S -","- C19 H18 Br N O4 S -","- C76 H72 Br4 N4 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0326","0.0308","","","0.0611","0.062","","","","","","1.123","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154329","34.802","0.002","8.7586","0.0005","22.5029","0.0016","90","","120.418","0.009","90","","5915.1","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C64 H81 N3 O12 -","- C64 H81 N3 O12 -","- C256 H324 N12 O48 -","4","1","","Ear, Alexandre; Amand, Séverine; Blanchard, Florent; Blond, Alain; Dubost, Lionel; Buisson, Didier; Nay, Bastien","Direct biosynthetic cyclization of a distorted paracyclophane highlighted by double isotopic labelling of l-tyrosine.","Organic & biomolecular chemistry","2015","13","12","3662","3666","10.1039/c5ob00114e","","","1.54187","CuKα","","0.0927","0.0658","","","0.1511","0.1897","","","","","","1.026","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154330","14.222","0.005","8.925","0.005","25.35","0.005","90","0.005","90","0.005","90","0.005","3218","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 F3 N3 S -","- C17 H14 F3 N3 S -","- C136 H112 F24 N24 S8 -","8","1","","Zhu, Jiayi; Chen, Yu; Lin, Feng; Wang, Baoshuang; Chen, Zhengwang; Liu, Liangxian","NiSO4-catalyzed C-H activation/C-S cross-coupling of 1,2,3-triazole N-oxides with thiols.","Organic & biomolecular chemistry","2015","13","12","3711","3720","10.1039/c4ob02586e","","","0.71069","MoKα","","0.0677","0.0444","","","0.1188","0.1327","","","","","","1.055","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154331","6.68948","0.00007","14.04389","0.00015","7.22458","0.00009","90","","93.875","0.0011","90","","677.171","0.013","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","azepinomycin","","- C6 H8 N4 O2 -","- C6 H8 N4 O2 -","- C24 H32 N16 O8 -","4","1","","Coggins, Adam J.; Tocher, Derek A.; Powner, Matthew W.","One-step protecting-group-free synthesis of azepinomycin in water.","Organic & biomolecular chemistry","2015","13","11","3378","3381","10.1039/c5ob00210a","","","1.5418","CuKα","","0.0389","0.0383","","","0.1004","0.1007","","","","","","1.088","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154332","10.9506","0.0005","19.9674","0.0009","15.2675","0.0009","90","","110.711","0.002","90","","3122.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H14 B F19 N2 -","- C33 H14 B F19 N2 -","- C132 H56 B4 F76 N8 -","4","1","","Lempke, Linda; Fischer, Tobias; Bell, Jérémy; Kraus, Werner; Rurack, Knut; Krause, Norbert","Gold-catalyzed allene cycloisomerization for pyrrole synthesis: towards highly fluorinated BODIPY dyes.","Organic & biomolecular chemistry","2015","13","12","3787","3791","10.1039/c4ob02671c","","","0.71073","MoKα","","0.0719","0.0605","","","0.1506","0.1592","","","","","","1.045","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154333","7.3337","0.0012","9.9719","0.0016","10.128","0.0016","93.269","0.005","99.21","0.005","110.524","0.004","679.57","0.19","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H16 B F13 N2 -","- C31 H16 B F13 N2 -","- C31 H16 B F13 N2 -","1","1","","Lempke, Linda; Fischer, Tobias; Bell, Jérémy; Kraus, Werner; Rurack, Knut; Krause, Norbert","Gold-catalyzed allene cycloisomerization for pyrrole synthesis: towards highly fluorinated BODIPY dyes.","Organic & biomolecular chemistry","2015","13","12","3787","3791","10.1039/c4ob02671c","","","0.71073","MoKα","","0.0646","0.0637","","","0.1738","0.1747","","","","","","1.095","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154334","11.7456","0.0002","13.5528","0.0003","13.0646","0.0009","90","","90","","90","","2079.7","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 Br N3 O -","- C26 H18 Br N3 O -","- C104 H72 Br4 N12 O4 -","4","1","","Fang, Fang; Hua, Genghong; Shi, Feng; Li, Pengfei","Organocatalytic enantioselective Friedel-Crafts reaction: an efficient access to chiral isoindolo-β-carboline derivatives.","Organic & biomolecular chemistry","2015","13","15","4395","4398","10.1039/c5ob00175g","","","1.54187","CuKα","","0.0421","0.0362","","","0.0882","0.0967","","","","","","1.125","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154335","5.414","0.006","20.283","0.019","18.171","0.017","90","","92.881","0.019","90","","1993","3","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br N O4 -","- C22 H20 Br N O4 -","- C88 H80 Br4 N4 O16 -","4","1","","Jose, Anu; Jayakrishnan, A. J.; Seetha Lakshmi, K. C.; Varughese, Sunil; Nair, Vijay","Phosphine-mediated reaction of 3-methyl allenoate and isatins: a protocol for the synthesis of spirofuran oxindoles.","Organic & biomolecular chemistry","2015","13","12","3589","3592","10.1039/c5ob00123d","","","0.71073","MoKα","","0.0848","0.0685","","","0.1854","0.2142","","","","","","1.051","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154336","20.0272","0.0004","10.57393","0.00019","10.07746","0.00017","90","","90","","90","","2134.07","0.07","150","2","150","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","4-cis-trifluoromethylproline N-acetyl methyl ester","methyl (2S,4S)-1-acetyl-4-(trifluoromethyl)pyrrolidine-2-carboxylate","","- C9 H12 F3 N O3 -","- C9 H12 F3 N O3 -","- C72 H96 F24 N8 O24 -","8","1","","Kubyshkin, Vladimir; Afonin, Sergii; Kara, Sezgin; Budisa, Nediljko; Mykhailiuk, Pavel K.; Ulrich, Anne S.","γ-(S)-Trifluoromethyl proline: evaluation as a structural substitute of proline for solid state (19)F-NMR peptide studies.","Organic & biomolecular chemistry","2015","13","11","3171","3181","10.1039/c5ob00034c","","x-ray","1.54184","CuKα","","0.0379","0.0341","","","0.0864","0.0895","","","","","","1.043","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154337","3.8783","0.0005","11.1617","0.0014","15.3358","0.0019","78.727","0.002","85.961","0.002","86.336","0.002","648.58","0.14","150","2","150","2","","","","","","","Synthesis","4","P -1","-P 1","2","","ethyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","1","","Mohan, Darapaneni Chandra; Ravi, Chitrakar; Rao, Sadu Nageswara; Adimurthy, Subbarayappa","Copper-mediated synthesis of pyrazolo[1,5-a]pyridines through oxidative linkage of C-C/N-N bonds.","Organic & biomolecular chemistry","2015","13","12","3556","3560","10.1039/c5ob00018a","","","0.71073","MoKα","","0.0597","0.0545","","","0.1075","0.1098","","","","","","1.183","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154338","9.8145","0.0008","10.0842","0.0006","11.3461","0.0007","97.195","0.005","91.225","0.006","113.239","0.007","1020.62","0.13","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","3-(Hexylamino)-8-(4-methoxyphenyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C22 H26 B F2 N3 O -","- C22 H26 B F2 N3 O -","- C44 H52 B2 F4 N6 O2 -","2","1","","Knight, Julian G.; Alnoman, Rua B.; Waddell, Paul G.","Synthesis of 3-aminoBODIPY dyes via copper-catalyzed vicarious nucleophilic substitution of 2-halogeno derivatives.","Organic & biomolecular chemistry","2015","13","12","3819","3829","10.1039/c4ob02626h","","","0.71073","MoKα","","0.0902","0.0504","","","0.0951","0.1157","","","","","","1.033","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154339","15.3219","0.0004","17.3301","0.0004","17.5462","0.0005","90","","110.858","0.003","90","","4353.7","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","3-(Hexylamino)-6-iodo-8-(4-methoxyphenyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C22 H25 B F2 I N3 O -","- C22 H25 B F2 I N3 O -","- C176 H200 B8 F16 I8 N24 O8 -","8","4","","Knight, Julian G.; Alnoman, Rua B.; Waddell, Paul G.","Synthesis of 3-aminoBODIPY dyes via copper-catalyzed vicarious nucleophilic substitution of 2-halogeno derivatives.","Organic & biomolecular chemistry","2015","13","12","3819","3829","10.1039/c4ob02626h","","","0.71073","MoKα","","0.0483","0.0323","","","0.0602","0.0674","","","","","","1.057","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154340","10.2882","0.0001","10.0834","0.0001","17.6278","0.0002","90","","100.173","0.0004","90","","1799.96","0.03","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(cyclohexylidenemethyl)-3,3-diphenyldihydrofuran-2(3H)-one","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Handa, Sachin; Subramanium, Sri S.; Ruch, Aaron A.; Tanski, Joseph M.; Slaughter, LeGrande M","Ligand- and Brønsted acid/base-switchable reaction pathways in gold(i)-catalyzed cycloisomerizations of allenoic acids.","Organic & biomolecular chemistry","2015","13","13","3936","3949","10.1039/c4ob02640c","","x-ray","1.54178","CuKα","","0.0349","0.0345","","","0.0841","0.0844","","","","","","1.043","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154341","7.1469","0.0005","15.303","0.001","16.4534","0.001","73.124","0.001","89.797","0.001","88.864","0.001","1721.7","0.2","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","1-cyclohexyl-4-phenyl-1,2,3,4-tetrahydro-1,4-(epoxymethano)naphthalen-9-one","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","2","","Handa, Sachin; Subramanium, Sri S.; Ruch, Aaron A.; Tanski, Joseph M.; Slaughter, LeGrande M","Ligand- and Brønsted acid/base-switchable reaction pathways in gold(i)-catalyzed cycloisomerizations of allenoic acids.","Organic & biomolecular chemistry","2015","13","13","3936","3949","10.1039/c4ob02640c","","x-ray","0.71073","MoKα","","0.1345","0.0626","","","0.1199","0.16","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154342","9.7954","0.0004","9.8427","0.0004","11.0909","0.0005","78.548","0.002","77.234","0.002","64.389","0.003","933.94","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-methoxy-4-phenyl-4,5,5a,6,6a,7,8,9,10,10a-decahydroacephenanthrylene- 4-carboxylic acid","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Handa, Sachin; Subramanium, Sri S.; Ruch, Aaron A.; Tanski, Joseph M.; Slaughter, LeGrande M","Ligand- and Brønsted acid/base-switchable reaction pathways in gold(i)-catalyzed cycloisomerizations of allenoic acids.","Organic & biomolecular chemistry","2015","13","13","3936","3949","10.1039/c4ob02640c","","x-ray","0.71073","MoKα","","0.0472","0.0431","","","0.1193","0.1243","","","","","","0.993","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7154343","6.021","0.002","16.358","0.006","16.457","0.006","90","","96.874","0.004","90","","1609.2","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Hou, Lekai; Chen, Xiangxiang; Li, Shuang; Cai, Suxian; Zhao, Yanxia; Sun, Meng; Yang, Xiao-Juan","Palladium-catalyzed regio-selective oxidative C-H bond acylation of azoxybenzenes with alcohols.","Organic & biomolecular chemistry","2015","13","14","4160","4164","10.1039/c5ob00089k","","","0.71073","MoKα","","0.0797","0.0532","","","0.1464","0.1676","","","","","","1.074","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154344","22.3006","0.0018","22.3364","0.0018","36.666","0.003","91.732","0.001","92.554","0.001","111.906","0.001","16907","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Na2[CB@ac](ac).16H2O","","- C62 H74 N12 Na4 O40 S4 -","- C61.9999 H73.9998 N12 Na3.97775 O39.9022 S4 -","- C495.999 H591.999 N96 Na31.822 O319.218 S32 -","8","4","","Gilberg, Laura; Zhang, Ben; Zavalij, Peter Y.; Sindelar, Vladimir; Isaacs, Lyle","Acyclic cucurbit[n]uril-type molecular containers: influence of glycoluril oligomer length on their function as solubilizing agents.","Organic & biomolecular chemistry","2015","13","13","4041","4050","10.1039/c5ob00184f","","","0.71073","MoKα","","0.1519","0.1228","","","0.2293","0.2422","","","","","","1.386","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154345","10.903","0.004","8.978","0.003","13.171","0.005","90","","108.452","0.012","90","","1223","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl-1-allyl-3-(2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)-2-oxoindolin-3-ylcarbamate","","- C25 H25 N3 O5 -","- C25 H25 N3 O5 -","- C50 H50 N6 O10 -","2","1","","Kumar, Akshay; Sharma, Vivek; Kaur, Jasneet; Kumar, Naveen; Chimni, Swapandeep Singh","Maleimide as an efficient nucleophilic partner in the aza-Morita-Baylis-Hillman reaction: synthesis of chiral 3-substituted-3-aminooxindoles.","Organic & biomolecular chemistry","2015","13","20","5629","5635","10.1039/c5ob00182j","","","0.71073","MoKα","","0.1339","0.0702","","","0.167","0.2062","","","","","","0.973","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154346","9.4408","0.0017","25.506","0.005","8.066","0.0015","90","","95.641","0.004","90","","1932.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C100 H88 N8 -","4","1","","Xiang, Jiachen; Wang, Jungang; Wang, Miao; Meng, Xianggao; Wu, Anxin","One-pot total synthesis of streptindole, arsindoline B and their congeners through tandem decarboxylative deaminative dual-coupling reaction of amino acids with indoles.","Organic & biomolecular chemistry","2015","13","14","4240","4247","10.1039/c5ob00025d","","","0.71073","MoKα","","0.0871","0.0476","","","0.1148","0.1367","","","","","","1.014","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154347","28.938","0.006","11.193","0.002","16.37","0.003","90","","108.12","0.03","90","","5039.3","1.9","173","","299","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 N3 O3 -","- C29 H31 N3 O3 -","- C232 H248 N24 O24 -","8","1","","Chen, Yunyun; Feng, Gaofeng","Visible light mediated sp(3) C-H bond functionalization of N-aryl-1,2,3,4-tetrahydroisoquinolines via Ugi-type three-component reaction.","Organic & biomolecular chemistry","2015","13","14","4260","4265","10.1039/c5ob00201j","","","0.71073","MoKα","","0.0838","0.0557","","","0.1347","0.1556","","","","","","1.083","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154348","14.183","0.003","11.422","0.002","17.031","0.003","90","","111.93","0.03","90","","2559.4","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N3 O5 -","- C30 H31 N3 O5 -","- C120 H124 N12 O20 -","4","1","","Chen, Yunyun; Feng, Gaofeng","Visible light mediated sp(3) C-H bond functionalization of N-aryl-1,2,3,4-tetrahydroisoquinolines via Ugi-type three-component reaction.","Organic & biomolecular chemistry","2015","13","14","4260","4265","10.1039/c5ob00201j","","","0.71073","MoKα","","0.1549","0.0972","","","0.2368","0.3344","","","","","","1.118","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154349","12.5161","0.001","14.0082","0.0011","27.051","0.002","90","","90","","90","","4742.8","0.6","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 F3 N2 O3 -","- C12 H9 F3 N2 O3 -","- C192 H144 F48 N32 O48 -","16","2","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.0778","0.0665","","","0.1543","0.1646","","","","","","1.209","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154350","6.7929","0.0001","9.5186","0.0002","10.322","0.0002","102.643","0.003","91.759","0.003","104.107","0.003","629.09","0.02","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br F3 N2 O3 -","- C12 H8 Br F3 N2 O3 -","- C24 H16 Br2 F6 N4 O6 -","2","1","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.0528","0.0507","","","0.1256","0.1275","","","","","","1.101","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154351","14.7611","0.0003","4.6408","0.0003","17.1279","0.0003","90","","90.424","0.002","90","","1173.29","0.08","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 I N3 O4 -","- C10 H8 I N3 O4 -","- C40 H32 I4 N12 O16 -","4","1","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.0384","0.032","","","0.0742","0.0774","","","","","","1.036","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154352","6.3391","0.0012","7.7064","0.0015","12.819","0.002","93.164","0.006","102.778","0.006","113.261","0.006","553.93","0.18","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl N3 O4 -","- C10 H8 Cl N3 O4 -","- C20 H16 Cl2 N6 O8 -","2","1","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.1213","0.0889","","","0.2074","0.2298","","","","","","1.024","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154353","10.5513","0.0006","13.4479","0.0007","21.737","0.0012","90","","90","","90","","3084.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,3R,4R,4'S,5'S)-tert-butyl 4',5'-diphenyl-3-(phenylsulfonyl)-3,4-dihydro-1H-spiro[1,4-epiminonaphthalene-2,2'-[1,3]dioxolane]-9-carboxylate","","- C35 H33 N O6 S -","- C35 H33 N O6 S -","- C140 H132 N4 O24 S4 -","4","1","","Pandey, Ganesh; Varkhedkar, Rajesh; Tiwari, Divya","Efficient access to enantiopure 1,3-disubstituted isoindolines from selective catalytic fragmentation of an original desymmetrized rigid overbred template.","Organic & biomolecular chemistry","2015","13","15","4438","4448","10.1039/c5ob00229j","","","0.71073","MoKα","","0.0743","0.0485","","","0.083","0.0916","","","","","","1.035","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154354","13.228","0.005","9.602","0.003","17.978","0.006","90","","97.418","0.007","90","","2264.4","1.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Yang, Changjiang; Li, Juanjuan; Zhou, Rong; Chen, Xiangyu; Gao, Yunpeng; He, Zhengjie","Facile synthesis of spirooxindole-pyrazolines and spirobenzofuranone-pyrazolines and their fungicidal activity.","Organic & biomolecular chemistry","2015","13","17","4869","4878","10.1039/c5ob00258c","","","0.71073","MoKα","","0.054","0.038","","","0.0781","0.0833","","","","","","0.981","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154355","8.8803","0.0018","11.094","0.002","11.201","0.002","79.42","0.03","79.41","0.03","77.65","0.03","1047.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N4 O4 -","- C23 H22 N4 O4 -","- C46 H44 N8 O8 -","2","1","","Yang, Changjiang; Li, Juanjuan; Zhou, Rong; Chen, Xiangyu; Gao, Yunpeng; He, Zhengjie","Facile synthesis of spirooxindole-pyrazolines and spirobenzofuranone-pyrazolines and their fungicidal activity.","Organic & biomolecular chemistry","2015","13","17","4869","4878","10.1039/c5ob00258c","","","0.71073","MoKα","","0.0889","0.0476","","","0.1089","0.127","","","","","","0.997","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154356","15.5903","0.0004","18.0794","0.0005","25.8875","0.0008","90","","90","","90","","7296.7","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MACROCYCLE STRUCTURE 26","","","- C69 H74 N12 O7 -","- C69 H74 N12 O7 -","- C276 H296 N48 O28 -","4","1","","Chavez-Acevedo, Lizbeth; Miranda, Luis D.","Synthesis of novel tryptamine-based macrocycles using an Ugi 4-CR/microwave assisted click-cycloaddition reaction protocol.","Organic & biomolecular chemistry","2015","13","15","4408","4412","10.1039/c5ob00067j","","","0.71073","MoKα","","0.1778","0.0757","","","0.1597","0.2051","","","","","","0.964","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154357","9.8957","0.0003","23.4982","0.0007","8.5844","0.0003","90","","103.811","0.002","90","","1938.43","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(4-(<i>tert</i>-Butyl)phenyl)-10-methyl-5,10-dihydroindolo[3,2-b]indole","","- C25 H24 N2 -","- C25 H24 N2 -","- C100 H96 N8 -","4","1","","Hung, Tran Quang; Hancker, Sören; Villinger, Alexander; Lochbrunner, Stefan; Dang, Tuan Thanh; Friedrich, Aleksej; Breitsprecher, Wolfgang; Langer, Peter","Novel synthesis of 5-methyl-5,10-dihydroindolo[3,2-b]indoles by Pd-catalyzed C-C and two-fold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","2","583","591","10.1039/c4ob01723d","","","0.71073","MoKα","","0.0971","0.0507","","","0.1115","0.1326","","","","","","1.027","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154358","18.304","0.005","4.5035","0.0012","21.714","0.006","90","","95.318","0.003","90","","1782.2","0.8","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 I O5 -","- C19 H19 I O5 -","- C76 H76 I4 O20 -","4","1","","Xu, Di; Dai, Li; Catellani, Marta; Motti, Elena; Della Ca', Nicola; Zhou, Zhiming","A novel enantioselective synthesis of 6H-dibenzopyran derivatives by combined palladium/norbornene and cinchona alkaloid catalysis.","Organic & biomolecular chemistry","2015","13","8","2260","2263","10.1039/c4ob02551b","","","0.71073","MoKα","","0.0506","0.0393","","","0.1136","0.1261","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7154359","15.139","0.003","10.0225","0.0018","30.107","0.006","90","","103.866","0.003","90","","4435","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Br N2 O3 -","- C24 H25 Br N2 O3 -","- C192 H200 Br8 N16 O24 -","8","2","","Anderson, James C.; Campbell, Ian B.; Campos, Sebastien; Shannon, Jonathan; Tocher, Derek A.","Stereoselective synthesis of 1,2-diamine containing indolines by a conjugate addition nitro-Mannich reaction.","Organic & biomolecular chemistry","2015","13","1","170","177","10.1039/c4ob01793e","","","0.71073","MoKα","","0.0504","0.0358","","","0.0953","0.1023","","","","","","0.971","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154360","21.4489","0.0015","15.1178","0.0015","14.8599","0.0012","90","","120.899","0.004","90","","4134.6","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl O5 S -","- C23 H23 Cl O5 S -","- C184 H184 Cl8 O40 S8 -","8","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0614","0.0383","","","0.0819","0.0898","","","","","","1.018","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154361","7.3355","0.0003","27.2184","0.0011","12.3978","0.0005","90","","106.559","0.0011","90","","2372.69","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O5 S -","- C29 H28 O5 S -","- C116 H112 O20 S4 -","4","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0421","0.0352","","","0.0887","0.0932","","","","","","1.016","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154362","9.7206","0.0004","14.2444","0.0005","15.3744","0.0005","95.035","0.0014","95.523","0.0015","96.46","0.0015","2094.98","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O5 S -","- C24 H26 O5 S -","- C96 H104 O20 S4 -","4","2","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0609","0.0402","","","0.091","0.1013","","","","","","1.014","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154363","10.6137","0.001","15.5004","0.0014","13.2501","0.0012","90","","92.946","0.003","90","","2177","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 O7 S -","- C25 H26 O7 S -","- C100 H104 O28 S4 -","4","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0476","0.0348","","","0.0816","0.0884","","","","","","1.023","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154364","9.0583","0.0006","29.646","0.002","8.5818","0.0006","90","","106.748","0.002","90","","2206.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O5 S -","- C26 H28 O5 S -","- C104 H112 O20 S4 -","4","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0485","0.0374","","","0.0901","0.0957","","","","","","1.019","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154365","7.053","0.004","7.478","0.004","24.426","0.014","90","","89.526","0.015","90","","1288.2","1.2","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O3 -","- C12 Br N O3 -","- C48 Br4 N4 O12 -","4","2","","Zhu, Yadong; Qian, Pengfei; Yang, Jiyang; Chen, Shaohua; Hu, Yanwei; Wu, Ping; Wang, Wei; Zhang, Wei; Zhang, Shilei","Organocatalytic enantioselective Michael addition of cyclic hemiacetals to nitroolefins: a facile access to chiral substituted 5- and 6-membered cyclic ethers.","Organic & biomolecular chemistry","2015","13","16","4769","4775","10.1039/c5ob00202h","","","0.7107","MoKα","","","0.0917","","","","0.0928","","","","","","8.877","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7154366","5.834","0.016","12.53","0.04","19.7","0.05","87.16","0.04","86.36","0.04","88.79","0.04","1435","7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","","Ding, Zhengwei; Tan, Qitao; Gao, Mingchun; Xu, Bin","Copper-catalyzed aerobic cascade cycloamination and acyloxylation: a direct approach to 4-acyloxy-1H-pyrazoles.","Organic & biomolecular chemistry","2015","13","16","4642","4646","10.1039/c5ob00409h","","","0.71073","MoKα","","0.1325","0.0873","","","0.2588","0.3065","","","","","","1.087","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154367","9.106","0.003","9.532","0.003","20.806","0.001","90","","99.034","0.012","90","","1783.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Li, Gang; Li, Li; Huang, Haihong; Yin, Dali","Ti(iv)-catalyzed cascade synthesis of tetrahydrofuro[3,2-d]oxazole from arene-1,4-diones.","Organic & biomolecular chemistry","2015","13","15","4418","4421","10.1039/c5ob00174a","","","1.54178","CuKα","","0.0518","0.0471","","","0.1431","0.1491","","","","","","1.102","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154368","8.8905","0.0005","11.0671","0.0005","11.5086","0.0006","89.95","0.002","75.602","0.002","72.86","0.002","1044.87","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C46 H44 O12 -","2","1","","Guo, Shengmei; Lu, Lin; Gong, Jiuhan; Zhu, Zheng; Xu, Feng; Wei, Zhenhong; Cai, Hu","Copper-mediated tandem reaction of β-ketoesters/ketones with tertiary amines for the synthesis of 2,3-dihydrofurans.","Organic & biomolecular chemistry","2015","13","15","4426","4429","10.1039/c5ob00191a","","","0.71073","MoKα","","0.0578","0.0504","","","0.1406","0.1491","","","","","","1.032","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154369","13.568","0.015","7.443","0.007","19.72","0.02","90","","105.441","0.009","90","","1920","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H55 Cl N6 O11 -","- C34 H55 Cl N6 O11 -","- C68 H110 Cl2 N12 O22 -","2","1","","Aillard, Boris; Kilburn, Jeremy D.; Blaydes, Jeremy P.; Tizzard, Graham J.; Findlow, Stuart; Werner, Jörn M; Bloodworth, Sally","Synthesis and evaluation of a (3R,6S,9S)-2-oxo-1-azabicyclo[4.3.0]nonane scaffold as a mimic of Xaa-trans-Pro in poly-l-proline type II helix conformation.","Organic & biomolecular chemistry","2015","13","15","4562","4569","10.1039/c5ob00180c","","x-ray","0.6889","","","0.1527","0.0833","","","0.1667","0.2067","","","","","","0.954","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154370","10.7456","0.0006","10.9466","0.0006","16.6473","0.0007","90","","97.4225","0.0014","90","","1941.78","0.17","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C88 H80 N16 O8 S8 -","8","2","","Okazaki, Shiho; Oishi, Shinya; Mizuhara, Tsukasa; Shimura, Kazuya; Murayama, Hiroto; Ohno, Hiroaki; Matsuoka, Masao; Fujii, Nobutaka","Investigations of possible prodrug structures for 2-(2-mercaptophenyl)tetrahydropyrimidines: reductive conversion from anti-HIV agents with pyrimidobenzothiazine and isothiazolopyrimidine scaffolds.","Organic & biomolecular chemistry","2015","13","16","4706","4713","10.1039/c5ob00301f","","","0.71075","MoKα","","","0.0398","","","","0.0796","","","","","","1.004","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154371","10.9877","0.0018","10.2398","0.0016","12.339","0.002","90","","110.739","0.003","90","","1298.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H38 O6 Si -","- C24 H38 O6 Si -","- C48 H76 O12 Si2 -","2","1","","Shing, Tony K. M.; Cheng, Hau M.","Intramolecular direct aldol reactions of sugar 2,7-diketones: syntheses of hydroxylated cycloalka(e)nones.","Organic & biomolecular chemistry","2015","13","16","4795","4802","10.1039/c5ob00253b","","","0.71073","MoKα","","0.1071","0.0622","","","0.1516","0.1848","","","","","","1.008","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154372","11.7351","0.0014","10.1832","0.0012","14.5872","0.0018","90","","99.078","0.002","90","","1721.3","0.4","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 O2 -","- C20 H18 Cl2 O2 -","- C80 H72 Cl8 O8 -","4","1","","Subba Reddy, B. V.; Prudhvi Raju, N.; Someswarao, B.; Mohan Reddy, B. Jagan; Sridhar, B.; Marumudi, Kanakaraju; Kunwar, A. C.","A novel domino cyclization for the stereoselective synthesis of indeno[2,1-c]pyran and cyclopenta[c]pyran derivatives.","Organic & biomolecular chemistry","2015","13","16","4733","4736","10.1039/c5ob00376h","","","0.71073","MoKα","","0.0637","0.0518","","","0.1188","0.1258","","","","","","1.119","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154373","8.1768","0.00015","9.01871","0.00016","14.2224","0.001","90","","90","","90","","1048.82","0.08","103","","103","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Fan, Lulu; Takizawa, Shinobu; Takeuchi, Yoshiki; Takenaka, Kazuhiro; Sasai, Hiroaki","Pd-catalyzed enantioselective intramolecular α-arylation of α-substituted cyclic ketones: facile synthesis of functionalized chiral spirobicycles.","Organic & biomolecular chemistry","2015","13","17","4837","4840","10.1039/c5ob00382b","","","1.54187","CuKα","","","0.0357","","","","0.119","","","","","","0.991","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154374","11.9606","0.0011","21.1995","0.0017","10.6937","0.0008","90","","109.815","0.005","90","","2550.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl N2 O6 -","- C26 H25 Cl N2 O6 -","- C104 H100 Cl4 N8 O24 -","4","1","","Wu, Jia-Shou; Zhang, Xue; Zhang, Ying-Lao; Xie, Jian-Wu","Synthesis and antifungal activities of novel polyheterocyclic spirooxindole derivatives.","Organic & biomolecular chemistry","2015","13","17","4967","4975","10.1039/c5ob00256g","","","0.71073","MoKα","","0.1152","0.0575","","","0.1679","0.2007","","","","","","1.051","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7154375","12.3631","0.001","14.6129","0.0012","15.0199","0.0012","102.619","0.006","90.115","0.005","114.981","0.005","2386.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9.09 H7.64 F1.09 N0.73 O2.18 -","- C9.09091 H7.63636 F1.09091 N0.727273 O2.18182 -","- C100 H84 F12 N8 O24 -","11","5.5","","Wu, Jia-Shou; Zhang, Xue; Zhang, Ying-Lao; Xie, Jian-Wu","Synthesis and antifungal activities of novel polyheterocyclic spirooxindole derivatives.","Organic & biomolecular chemistry","2015","13","17","4967","4975","10.1039/c5ob00256g","","","0.71073","MoKα","","0.1321","0.0742","","","0.2142","0.256","","","","","","1.067","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154376","9.3617","0.0002","13.1822","0.0002","14.7459","0.0003","90","","90","","90","","1819.76","0.06","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br N O5 S -","- C18 H17 Br N O5 S -","- C72 H68 Br4 N4 O20 S4 -","4","1","","Takechi, Ryosuke; Nishimura, Takahiro","Rhodium-catalyzed asymmetric addition of arylboronic acids to cyclic N-sulfonyl ketimines towards the synthesis of α,α-diaryl-α-amino acid derivatives.","Organic & biomolecular chemistry","2015","13","17","4918","4924","10.1039/c5ob00431d","","","1.54187","CuKα","","0.0383","0.0367","","","0.0906","0.0918","","","","","","1.077","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154377","7.9008","0.0016","9.2433","0.0018","12.558","0.003","90","","92.35","0.03","90","","916.3","0.3","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O2 -","- C22 H32 O2 -","- C44 H64 O4 -","2","1","","Li, Pei-Fang; Yi, Cheng-Bo; Qu, Jin","Hot water-promoted cyclopropylcarbinyl rearrangement facilitates construction of homoallylic alcohols.","Organic & biomolecular chemistry","2015","13","17","5012","5021","10.1039/c5ob00305a","","","0.71073","MoKα","","0.0546","0.0352","","","0.0798","0.0885","","","","","","0.941","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154378","10.182","0.003","19.806","0.007","8.31","0.003","90","","126.517","0.005","90","","1346.8","0.8","100","2","298","2","","","","","","","1-naphthylamine","3","C 1 c 1","C -2yc","9","3'd","2-methyl-3-phenyl-1H-benzo[g]indole","","- C19 H15 N -","- C19 H15 N -","- C76 H60 N4 -","4","1","","Zhang, Furen; Li, Chunmei; Wang, Chen; Qi, Chenze","Facile synthesis of benzoindoles and naphthofurans through carbonaceous material-catalyzed cyclization of naphthylamines/naphthols with nitroolefins in water.","Organic & biomolecular chemistry","2015","13","17","5022","5029","10.1039/c5ob00129c","","","0.71073","MoKα","","0.0348","0.0328","","","0.0829","0.0847","","","","","","1.043","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154379","9.2763","0.0002","10.2244","0.0003","19.9092","0.0005","90","","94.243","0.002","90","","1883.1","0.08","288","2","288","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N -","- C26 H19 N -","- C104 H76 N4 -","4","1","","Liu, Ren-Rong; Ye, Shi-Chun; Lu, Chuan-Jun; Xiang, Bin; Gao, Jianrong; Jia, Yi-Xia","Au-catalyzed ring-opening reactions of 2-(1-alkynyl-cyclopropyl)pyridines with nucleophiles.","Organic & biomolecular chemistry","2015","13","17","4855","4858","10.1039/c5ob00523j","","","0.71073","MoKα","","0.054","0.0422","","","0.0972","0.1051","","","","","","1.055","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154380","8.5053","0.0003","18.3634","0.0005","14.5843","0.0004","90","","106.636","0.002","90","","2182.52","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H18 Cl N O5 -","- C26 H18 Cl N O5 -","- C104 H72 Cl4 N4 O20 -","4","2","","Molleti, Nagaraju; Singh, Vinod K.","Highly enantioselective synthesis of naphthoquinones and pyranonaphthoquinones catalyzed by bifunctional chiral bis-squaramides.","Organic & biomolecular chemistry","2015","13","18","5243","5254","10.1039/c5ob00105f","","","0.71073","MoKα","","0.0438","0.0329","","","0.0939","0.1062","","","","","","1.23","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154381","5.4941","0.0002","24.8448","0.001","12.4135","0.0005","90","","102.044","0.004","90","","1657.14","0.11","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N -","- C22 H19 N -","- C88 H76 N4 -","4","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","","0.71073","MoKα","","0.0495","0.0397","","","0.0903","0.0961","","","","","","1.059","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154382","6.1174","0.0004","11.805","0.0004","12.9211","0.0004","89.082","0.003","80.227","0.005","76.501","0.005","893.89","0.08","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","0.71073","MoKα","","0.0662","0.0512","","","0.131","0.1452","","","","","","1.02","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154383","5.6806","0.0005","12.4099","0.0009","12.5191","0.0009","89.497","0.004","79.611","0.004","78.354","0.004","849.85","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 Cl N -","- C22 H18 Cl N -","- C44 H36 Cl2 N2 -","2","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","1.54184","CuKα","","0.0918","0.0788","","","0.2033","0.2178","","","","","","1.026","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154384","6.1195","0.0005","8.1503","0.0007","34.905","0.003","93.937","0.003","93.167","0.003","95.383","0.003","1725.8","0.3","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","2","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","0.71073","MoKα","","0.0868","0.0644","","","0.1598","0.1784","","","","","","1.016","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154385","6.04042","0.00015","11.6602","0.0003","12.1628","0.0002","99.3522","0.0019","98.908","0.0019","101.371","0.002","813.07","0.03","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N S -","- C20 H17 N S -","- C40 H34 N2 S2 -","2","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","0.71073","MoKα","","0.0468","0.0415","","","0.1033","0.1085","","","","","","1.055","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154386","15.7471","0.0004","7.1137","0.0002","15.1029","0.0003","90","","94.492","0.001","90","","1686.63","0.07","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O4 S -","- C20 H15 N O4 S -","- C80 H60 N4 O16 S4 -","4","1","","Choi, Ji Hye; Lim, Hwan Jung","Mild one-pot Horner-Wadsworth-Emmons olefination and intramolecular N-arylation for the syntheses of indoles, all regio-isomeric azaindoles, and thienopyrroles.","Organic & biomolecular chemistry","2015","13","18","5131","5138","10.1039/c5ob00528k","","","0.71073","MoKα","","0.0486","0.0349","","","0.0824","0.0896","","","","","","1.056","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154387","8.7022","0.0001","21.4243","0.0003","8.404","0.0001","90","","103.488","0.001","90","","1523.61","0.03","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl N2 O4 -","- C17 H13 Cl N2 O4 -","- C68 H52 Cl4 N8 O16 -","4","1","","Choi, Ji Hye; Lim, Hwan Jung","Mild one-pot Horner-Wadsworth-Emmons olefination and intramolecular N-arylation for the syntheses of indoles, all regio-isomeric azaindoles, and thienopyrroles.","Organic & biomolecular chemistry","2015","13","18","5131","5138","10.1039/c5ob00528k","","","0.71073","MoKα","","0.0361","0.0303","","","0.0745","0.0782","","","","","","1.044","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154388","13.088","0.005","9.287","0.005","16.183","0.005","90","0.005","103.796","0.005","90","0.005","1910.3","1.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H46 O12 -","- C39 H46 O12 -","- C78 H92 O24 -","2","1","","Vibhute, Amol M.; Konieczny, Vera; Taylor, Colin W.; Sureshan, Kana M.","Triazolophostins: a library of novel and potent agonists of IP3 receptors.","Organic & biomolecular chemistry","2015","13","24","6698","6710","10.1039/c5ob00440c","","","0.71073","MoKα","","0.0788","0.065","","","0.1711","0.1905","","","","","","1.074","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154389","10.992","0.004","11.214","0.004","11.305","0.004","102.215","0.005","104.067","0.005","108.292","0.005","1219.1","0.8","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H22 O4 -","- C31 H22 O4 -","- C62 H44 O8 -","2","1","","Ma, Jun-Rui; Shu, Wen-Ming; Zheng, Kai-Lu; Ni, Fan; Yin, Guo-Dong; Wu, An-Xin","Efficient approach to 2-hydroxy-2,3-dihydrofuran derivatives and its application for the synthesis of novel 4-(1H-pyrazol-4-yl)pyridazines.","Organic & biomolecular chemistry","2015","13","17","4976","4980","10.1039/c5ob00163c","","","0.71073","MoKα","","0.0677","0.0525","","","0.1555","0.1652","","","","","","1.09","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154390","9.0418","0.0019","11.277","0.002","12.649","0.003","90","","110.94","","90","","1204.6","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H22 N4 -","- C31 H22 N4 -","- C62 H44 N8 -","2","1","","Ma, Jun-Rui; Shu, Wen-Ming; Zheng, Kai-Lu; Ni, Fan; Yin, Guo-Dong; Wu, An-Xin","Efficient approach to 2-hydroxy-2,3-dihydrofuran derivatives and its application for the synthesis of novel 4-(1H-pyrazol-4-yl)pyridazines.","Organic & biomolecular chemistry","2015","13","17","4976","4980","10.1039/c5ob00163c","","","0.71073","MoKα","","0.0469","0.038","","","0.0949","0.1191","","","","","","0.511","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154391","5.5916","0.0001","11.9281","0.0002","15.3677","0.0011","70.326","0.005","80.097","0.006","79.031","0.006","941.04","0.08","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Magpusao, Anniefer N.; Rutledge, Kelli; Mercado, Brandon Q.; Peczuh, Mark W.","Stereogenic α-carbons determine the shape and topology of [13]-macrodilactones.","Organic & biomolecular chemistry","2015","13","18","5086","5089","10.1039/c5ob00402k","","","1.54187","CuKα","","0.0317","0.0294","","","0.0735","0.0749","","","","","","1.073","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154392","9.1967","0.0005","10.3931","0.0007","19.4118","0.001","90","","90","","90","","1855.42","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Shashank, Adluri B.; Ramachary, Dhevalapally B.","Organocatalytic diastereoselective synthesis of chiral decalines through the domino Claisen-Schmidt/Henry reaction.","Organic & biomolecular chemistry","2015","13","18","5110","5114","10.1039/c5ob00562k","","","1.54184","CuKα","","0.0679","0.0608","","","0.1705","0.1803","","","","","","1.059","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154393","8.981","0.0004","11.3115","0.0005","9.4917","0.0007","90","","112.099","0.007","90","","893.41","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Shashank, Adluri B.; Ramachary, Dhevalapally B.","Organocatalytic diastereoselective synthesis of chiral decalines through the domino Claisen-Schmidt/Henry reaction.","Organic & biomolecular chemistry","2015","13","18","5110","5114","10.1039/c5ob00562k","","","1.54184","CuKα","","0.0356","0.0352","","","0.0955","0.0962","","","","","","1.047","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154394","7.9598","0.0003","9.8111","0.0003","17.7241","0.0006","90","","90","","90","","1384.15","0.08","150.15","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((2R,3S,4R,5R,6S)-3,4-Dihydroxy-6-methoxy-5-(methylsulfonamido) tetrahydro-2H-pyran-2-yl)methyl sulfamate","","- C8 H18 N2 O9 S2 -","- C8 H18 N2 O9 S2 -","- C32 H72 N8 O36 S8 -","4","1","","Miller, Duncan C.; Carbain, Benoit; Beale, Gary S.; Alhasan, Sari F.; Reeves, Helen L.; Baisch, Ulrich; Newell, David R.; Golding, Bernard T.; Griffin, Roger J.","Regioselective sulfamoylation at low temperature enables concise syntheses of putative small molecule inhibitors of sulfatases.","Organic & biomolecular chemistry","2015","13","18","5279","5284","10.1039/c5ob00211g","","x-ray","0.71073","MoKα","","0.0277","0.026","","","0.0647","0.0667","","","","","","1.052","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154395","4.9159","0.0005","9.8984","0.0011","11.3114","0.0013","88.785","0.009","78.349","0.009","82.913","0.009","534.94","0.1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C24 H18 N2 O6 -","2","1","","Wang, Shichao; Li, Yong; Liu, Hui; Li, Jinpeng; Li, Tiesheng; Wu, Yangjie; Okada, Shuji; Nakanishi, Hachiro","Topochemical polymerization of unsymmetrical aryldiacetylene supramolecules with nitrophenyl substituents utilizing C-Hπ interactions.","Organic & biomolecular chemistry","2015","13","19","5467","5474","10.1039/c5ob00435g","","","1.54184","CuKα","","0.1033","0.0724","","","0.2119","0.2766","","","","","","1.139","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154396","9.8399","0.0006","5.2999","0.0003","28.511","0.0016","90","","98.305","0.006","90","","1471.27","0.15","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0672","0.0483","","","0.1458","0.1651","","","","","","1.034","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154397","11.0565","0.0007","25.7976","0.0011","5.1911","0.0003","90","","103.206","0.007","90","","1441.51","0.14","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0849","0.0584","","","0.1641","0.1893","","","","","","1.044","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154398","5.8502","0.0003","10.6878","0.0008","11.8197","0.0008","88.055","0.006","85.254","0.005","81.792","0.005","728.77","0.08","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0687","0.0568","","","0.1625","0.177","","","","","","1.04","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154399","6.9852","0.0005","8.4612","0.0007","13.1167","0.0009","73.977","0.007","81.811","0.006","78.873","0.007","727.84","0.1","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0614","0.0455","","","0.1217","0.1361","","","","","","1.024","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154400","7.4859","0.0004","21.3424","0.0016","9.3008","0.0005","90","","90","","90","","1485.96","0.16","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0526","0.0437","","","0.108","0.116","","","","","","1.022","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154401","11.7297","0.0005","8.2689","0.0005","34.713","0.002","90","","90","","90","","3366.9","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C144 H192 O40 -","8","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.1087","0.0737","","","0.1887","0.22","","","","","","1.022","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154402","11.4719","0.0017","12.698","0.0019","13.003","0.0018","104.987","0.004","106.388","0.004","111.648","0.004","1543","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Cl N2 O6 -","- C34 H33 Cl N2 O6 -","- C68 H66 Cl2 N4 O12 -","2","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1682","0.0726","","","0.1897","0.2296","","","","","","1.034","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154403","12.3","0.002","9.3444","0.0017","27.632","0.005","90","","104.945","0.007","90","","3068.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl N2 O6 -","- C34 H33 Cl N2 O6 -","- C136 H132 Cl4 N8 O24 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1657","0.0763","","","0.1334","0.1662","","","","","","1.043","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154404","11.583","0.002","11.842","0.002","12.658","0.002","101.756","0.005","108.305","0.005","110.254","0.005","1448.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Cl2 N2 O6 -","- C31 H28 Cl2 N2 O6 -","- C62 H56 Cl4 N4 O12 -","2","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.2263","0.0696","","","0.1159","0.1551","","","","","","0.956","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154405","7.5714","0.001","15.502","0.002","20.241","0.003","90","","90","","90","","2375.7","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Cl N2 O6 -","- C25 H25 Cl N2 O6 -","- C100 H100 Cl4 N8 O24 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.0873","0.0458","","","0.0931","0.106","","","","","","1.022","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154406","12.0486","0.0015","19.463","0.002","13.053","0.0016","90","","106.16","0.002","90","","2940","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H33 F N2 O6 -","- C33 H33 F N2 O6 -","- C132 H132 F4 N8 O24 -","4","2","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1289","0.1072","","","0.2579","0.2921","","","","","","1.134","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154407","18.95","0.007","13.964","0.006","11.122","0.005","90","","90","","90","","2943","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 N2 O7 S -","- C33 H32 N2 O7 S -","- C132 H128 N8 O28 S4 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1429","0.0623","","","0.1239","0.1563","","","","","","0.97","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154408","10.504","0.002","16.482","0.003","16.712","0.003","90","","90","","90","","2893.3","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Cl N2 O7 S -","- C30 H33 Cl N2 O7 S -","- C120 H132 Cl4 N8 O28 S4 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1526","0.0726","","","0.1519","0.1832","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154409","11.703","0.0013","30.077","0.004","29.48","0.004","90","","93.181","0.003","90","","10361","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 F N2 O11 -","- C37 H35 F N2 O11 -","- C444 H420 F12 N24 O132 -","12","3","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1676","0.0588","","","0.1038","0.1339","","","","","","1.001","","","","has coordinates,has disorder","180330","2020-10-21","18:00:00",""
"7154410","10.5329","0.0012","10.6066","0.0011","19.252","0.002","104.723","0.003","97.305","0.003","107.595","0.003","1933.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H37 Cl N2 O10 -","- C34 H37 Cl N2 O10 -","- C68 H74 Cl2 N4 O20 -","2","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1233","0.0894","","","0.2795","0.2992","","","","","","1.112","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154411","15.9722","0.0018","8.9978","0.001","27.367","0.003","90","","94.485","0.004","90","","3921","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 N2 O10 -","- C44 H42 N2 O10 -","- C176 H168 N8 O40 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1676","0.067","","","0.1381","0.1756","","","","","","1.041","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154412","7.9805","0.0007","23.492","0.002","9.3323","0.0008","90","","112.494","0.002","90","","1616.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N3 O2 S -","- C16 H17 N3 O2 S -","- C64 H68 N12 O8 S4 -","4","1","","Wang, Lan-Zhi; Li, Xiao-Qing; An, Ying-Shuang","1,5-Benzodiazepine derivatives as potential antimicrobial agents: design, synthesis, biological evaluation, and structure-activity relationships.","Organic & biomolecular chemistry","2015","13","19","5497","5509","10.1039/c5ob00655d","","","0.71073","MoKα","","0.1192","0.0582","","","0.1427","0.1831","","","","","","1.014","","","","has coordinates,has disorder","180330","2020-10-21","18:00:00",""
"7154413","9.807","0.005","22.782","0.011","10.81","0.005","90","","114.359","0.007","90","","2200.2","1.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H22 Cl N O5 -","- C23 H22 Cl N O5 -","- C92 H88 Cl4 N4 O20 -","4","2","","Xue, Zhi-Yong; Song, Zhi-Min; Wang, Chun-Jiang","Cu(i)/TF-BiphamPhos-catalyzed asymmetric Michael addition of cyclic ketimino esters to alkylidene malonates.","Organic & biomolecular chemistry","2015","13","19","5460","5466","10.1039/c5ob00591d","","","0.71073","MoKα","","0.1441","0.0706","","","0.1427","0.1677","","","","","","1.038","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154414","9.043","0.002","10.807","0.002","13.279","0.003","106.641","0.005","90.549","0.005","107.25","0.005","1181.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 Cl3 N2 -","- C28 H19 Cl3 N2 -","- C56 H38 Cl6 N4 -","2","1","","Peng, Haibo; Yu, Jin-Tao; Jiang, Yan; Wang, Lei; Cheng, Jiang","Rhodium-catalyzed annulation between 2-arylimidazo[1,2-a]pyridines and alkynes leading to pyrido[1,2-a]benzimidazole derivatives.","Organic & biomolecular chemistry","2015","13","19","5354","5357","10.1039/c5ob00450k","","","0.71073","MoKα","","0.0962","0.0743","","","0.2302","0.2795","","","","","","1.135","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154415","16.9345","0.0013","22.9721","0.0013","10.3059","0.0007","90","","108.212","0.002","90","","3808.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-{4-[4-(trifluoromethyl)phenyl]-3-oxabicyclo[4.2.0]octan-1-yl}benzamide","","- C21 H20 F3 N O2 -","- C21 H20 F3 N O2 -","- C168 H160 F24 N8 O16 -","8","1","","Subba Reddy, B. V.; Muralikrishna, K.; Yadav, J. S.; Babu, N. Jagdeesh; Sirisha, K.; Sarma, A. V. S.","Tandem Prins/Wagner/Ritter process for the stereoselective synthesis of (3-oxabicyclo[4.2.0]octanyl)amide and (1-(5-aryltetrahydrofuran-3-yl)cyclobutyl)amide derivatives.","Organic & biomolecular chemistry","2015","13","19","5532","5536","10.1039/c5ob00031a","","","0.71073","MoKα","","0.1166","0.0978","","","0.1977","0.2084","","","","","","1.244","","","","has coordinates,has disorder","180330","2020-10-21","18:00:00",""
"7154416","8.205","0.0005","10.6112","0.0006","10.8283","0.0006","90","","90","","90","","942.76","0.09","293.15","","293.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Wu, Jie; You, Qiulin; Lan, Jingbo; Guo, Qiang; Li, Xiaoyu; Xue, Ying; You, Jingsong","Cu-catalysed direct C-H (hetero)arylation of [1,2,4]triazolo[4,3-a]pyridine to construct deep-blue-emitting luminophores.","Organic & biomolecular chemistry","2015","13","19","5372","5375","10.1039/c5ob00552c","","x-ray","1.54184","CuKα","","0.0475","0.0456","","","0.1161","0.1197","","","","","","1.069","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154417","9.958","0.002","10.5456","0.0008","11.151","0.004","72.1","0.2","84.9","0.2","69.76","0.17","1045.3","1.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Br2 N3 O5 -","- C21 H17 Br2 N3 O5 -","- C42 H34 Br4 N6 O10 -","2","1","","Li, Jun-Hua; Du, Da-Ming","Enantioselective synthesis of chiral heterocycles containing both chroman and pyrazolone derivatives catalysed by a chiral squaramide.","Organic & biomolecular chemistry","2015","13","20","5636","5645","10.1039/c4ob02653e","","","0.71073","MoKα","","0.06","0.042","","","0.0988","0.105","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7154418","8.7578","0.0004","10.8532","0.0006","18.2457","0.0009","90","","90","","90","","1734.26","0.15","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 F4 O2 -","- C19 H16 F4 O2 -","- C76 H64 F16 O8 -","4","1","","Wang, Jingjing; Kong, Wei-Guang; Li, Feng; Liu, Jie; Shen, Qin; Liu, Lantao; Zhao, Wen-Xian","Silver salts and DBU cooperatively catalyzed nucleophilic addition/cyclization of propargylic alcohols with trifluoromethyl ketones.","Organic & biomolecular chemistry","2015","13","19","5399","5406","10.1039/c5ob00438a","","","1.54184","CuKα","","0.0438","0.039","","","0.097","0.1014","","","","","","1.038","","","","has coordinates","138855","2020-10-21","18:00:00",""
"7154419","10.907","0.0003","20.1115","0.0005","11.0941","0.0003","90","","99.508","0.003","90","","2400.13","0.11","180","0.14","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C54 H43 Cl2 F3 O3 P2 Pd S -","- C54 H43 Cl2 F3 O3 P2 Pd S -","- C108 H86 Cl4 F6 O6 P4 Pd2 S2 -","2","1","","Franzoni, Ivan; Guénée, Laure; Mazet, Clément","A general Pd-catalyzed α- and γ-benzylation of aldehydes for the formation of quaternary centers.","Organic & biomolecular chemistry","2015","13","22","6338","6343","10.1039/c5ob00702j","","","1.54184","CuKα","","0.063","0.0605","","","0.1619","0.1652","","","","","","1.059","","","","has coordinates,has disorder","138819","2020-10-21","18:00:00",""
"7154420","6.35","0.005","31.01","0.03","6.458","0.005","90","","112.526","0.013","90","","1174.6","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 I -","- C13 H15 I -","- C52 H60 I4 -","4","1","","Montoro, Teresa; Tardajos, Gloria; Guerrero, Andrés; Torres, María Del Rosario; Salgado, Cástor; Fernández, Israel; Osío Barcina, José","σ-Holeπ and lone pairπ interactions in benzylic halides.","Organic & biomolecular chemistry","2015","13","22","6194","6202","10.1039/c5ob00366k","","","0.71073","MoKα","","0.0774","0.0442","","","0.0931","0.1018","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154421","6.201","0.005","30.714","0.005","6.35","0.005","90","","114.351","0.005","90","","1101.8","1.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br -","- C13 H15 Br -","- C52 H60 Br4 -","4","1","","Montoro, Teresa; Tardajos, Gloria; Guerrero, Andrés; Torres, María Del Rosario; Salgado, Cástor; Fernández, Israel; Osío Barcina, José","σ-Holeπ and lone pairπ interactions in benzylic halides.","Organic & biomolecular chemistry","2015","13","22","6194","6202","10.1039/c5ob00366k","","","0.71073","MoKα","","0.0519","0.036","","","0.0779","0.0865","","","","","","0.997","","","","has coordinates","138820","2020-10-21","18:00:00",""
"7154422","6.3915","0.0004","6.8582","0.0005","24.6067","0.0017","90","","94.259","0.007","90","","1075.64","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl -","- C13 H15 Cl -","- C52 H60 Cl4 -","4","1","","Montoro, Teresa; Tardajos, Gloria; Guerrero, Andrés; Torres, María Del Rosario; Salgado, Cástor; Fernández, Israel; Osío Barcina, José","σ-Holeπ and lone pairπ interactions in benzylic halides.","Organic & biomolecular chemistry","2015","13","22","6194","6202","10.1039/c5ob00366k","","","0.71073","MoKα","","0.0706","0.0439","","","0.0821","0.0959","","","","","","0.998","","","","has coordinates","138820","2020-10-21","18:00:00",""
"7154423","12.175","0.002","10.945","0.002","20.162","0.004","90","","91.26","0.03","90","","2686","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","","Zhu, Chunyin; Bi, Benwei; Ding, Ya; Zhang, Te; Chen, Qiu-Yun","A mild and facile synthesis of polyfunctionalized pyridines: merging three-component cyclization and aerobic oxidation by amine/metal catalysts.","Organic & biomolecular chemistry","2015","13","22","6278","6285","10.1039/c5ob00630a","","","0.71073","MoKα","","0.0464","0.0386","","","0.0931","0.0978","","","","","","1.055","","","","has coordinates","138821","2020-10-21","18:00:00",""
"7154424","5.3827","0.0019","7.108","0.002","20.99","0.007","90","","97.301","0.006","90","","796.6","0.4","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl F4 N O2 -","- C15 H18 Cl F4 N O2 -","- C30 H36 Cl2 F8 N2 O4 -","2","1","","Ayoup, Mohammed Salah; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine containing amino acids: synthesis and peptide coupling of amino acids containing the all-cis tetrafluorocyclohexyl motif.","Organic & biomolecular chemistry","2015","13","20","5621","5624","10.1039/c5ob00650c","","","1.54187","CuKα","","0.1193","0.0966","","","0.2465","0.2711","","","","","","0.978","","","","has coordinates","138832","2020-10-21","18:00:00",""
"7154425","8.1008","0.0019","9.745","0.002","18.18","0.004","90","","90","","90","","1435.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","de la Fuente, Alex; Mena-Barragán, Teresa; Farrar-Tobar, Ronald A; Verdaguer, Xavier; García Fernández, José M; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective synthesis of 2-acetamido-1,2-dideoxynojirimycin (DNJNAc) and ureido-DNJNAc derivatives as new hexosaminidase inhibitors.","Organic & biomolecular chemistry","2015","13","23","6500","6510","10.1039/c5ob00507h","","","0.71073","MoKα","","0.0555","0.0463","","","0.1326","0.142","","","","","","0.973","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154426","9.6858","0.0009","9.9838","0.0006","15.1087","0.001","90","","90","","90","","1461.03","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","de la Fuente, Alex; Mena-Barragán, Teresa; Farrar-Tobar, Ronald A; Verdaguer, Xavier; García Fernández, José M; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective synthesis of 2-acetamido-1,2-dideoxynojirimycin (DNJNAc) and ureido-DNJNAc derivatives as new hexosaminidase inhibitors.","Organic & biomolecular chemistry","2015","13","23","6500","6510","10.1039/c5ob00507h","","","0.71073","MoKα","","0.0617","0.0576","","","0.1555","0.1614","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154427","5.8099","0.001","21.073","0.004","32.234","0.006","90","","90","","90","","3946.5","1.2","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Cl O3 -","- C25 H17 Cl O3 -","- C200 H136 Cl8 O24 -","8","2","","Chen, Kun-Quan; Zhang, Han-Ming; Wang, Dong-Ling; Sun, De-Qun; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of indenopyrones.","Organic & biomolecular chemistry","2015","13","24","6694","6697","10.1039/c5ob00859j","","","0.71073","MoKα","","0.0508","0.0477","","","0.0979","0.1","","","","","","1.086","","","","has coordinates","143747","2020-10-21","18:00:00",""
"7154428","32.082","0.011","9.634","0.003","22.744","0.008","90","","99.922","0.006","90","","6925","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C288 H272 Cl16 N32 O32 -","16","2","","Chandra Mohan, Darapaneni; Nageswara Rao, Sadu; Ravi, Chitrakar; Adimurthy, Subbarayappa","Copper-catalyzed aerobic oxidative amination of C(sp(3))-H bonds: synthesis of imidazo[1,5-a]pyridines.","Organic & biomolecular chemistry","2015","13","20","5602","5607","10.1039/c5ob00381d","","","0.71073","MoKα","","0.0773","0.0548","","","0.1378","0.1531","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154429","15.2039","0.0008","12.3888","0.0006","9.8162","0.0005","90","","98.113","0.002","90","","1830.46","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","coumarinopyran pyrimidinedione","4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15, 17-tetraene-3,5,11-trione","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Bakthadoss, Manickam; Kannan, Damodharan; Sivakumar, Nagappan; Malathi, Palani; Manikandan, Vasudevan","Stereoselective construction of functionalized tetracyclic and pentacyclic coumarinopyranpyrazole/pyrimidinedione/coumarin scaffolds using a solid-state melt reaction.","Organic & biomolecular chemistry","2015","13","20","5597","5601","10.1039/c5ob00442j","","","0.71073","MoKα","","0.0696","0.0479","","","0.1326","0.1598","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154430","7.1491","0.0006","9.2336","0.0009","10.4719","0.0009","91.207","0.004","97.28","0.003","90.918","0.003","685.42","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C34 H24 Cl2 N2 O2 -","2","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.0546","0.0387","","","0.0991","0.1106","","","","","","1.073","","","","has coordinates","171492","2020-10-21","18:00:00",""
"7154431","15.8518","0.001","7.2952","0.0005","13.5752","0.0007","90","","106.043","0.003","90","","1508.72","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C72 H56 Cl4 N4 O8 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.0795","0.0535","","","0.1443","0.1642","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154432","6.3743","0.0007","10.3034","0.0013","10.5322","0.0012","80.064","0.004","72.725","0.005","76.743","0.004","638.84","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.0895","0.0524","","","0.1378","0.1706","","","","","","0.854","","","","has coordinates","171492","2020-10-21","18:00:00",""
"7154433","19.554","0.003","14.799","0.0017","7.5795","0.0009","90","","101.157","0.006","90","","2151.9","0.5","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.1024","0.0502","","","0.0984","0.1253","","","","","","0.941","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154434","14.347","0.002","7.3632","0.0011","13.382","0.002","90","","92.25","0.007","90","","1412.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.1017","0.0526","","","0.1358","0.1724","","","","","","0.825","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154435","15.617","0.008","5.565","0.003","18.62","0.01","90","","113.024","0.005","90","","1489.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.1994","0.0891","","","0.2575","0.3334","","","","","","0.908","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154436","7.8554","0.0007","19.1071","0.0017","9.8166","0.0009","90","","112.458","0.002","90","","1361.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Pagar, Vinayak Vishnu; Liu, Rai-Shung","Gold-catalyzed α-furanylations of quinoline N-oxides with alkenyldiazo carbonyl species.","Organic & biomolecular chemistry","2015","13","22","6166","6169","10.1039/c5ob00696a","","","0.71073","MoKα","","0.0495","0.0387","","","0.0945","0.1013","","","","","","1.049","","","","has coordinates","138822","2020-10-21","18:00:00",""
"7154437","15.394","0.0017","13.3282","0.0013","18.339","0.002","90","","107.045","0.004","90","","3597.4","0.7","122.15","","122.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H47 N O3 -","- C47 H47 N O3 -","- C188 H188 N4 O12 -","4","1","","Plesner, Malene; Hensel, Thomas; Nielsen, Bjarne E.; Kamounah, Fadhil S.; Brock-Nannestad, Theis; Nielsen, Christian B.; Tortzen, Christian G.; Hammerich, Ole; Pittelkow, Michael","Synthesis and properties of unsymmetrical azatrioxa[8]circulenes.","Organic & biomolecular chemistry","2015","13","21","5937","5943","10.1039/c5ob00676g","","","0.71073","MoKα","","0.0644","0.0423","","","0.0968","0.1084","","","","","","1.012","","","","has coordinates","138844","2020-10-21","18:00:00",""
"7154438","10.2403","0.0009","12.1323","0.0011","12.4975","0.0012","90","","92.516","0.001","90","","1551.2","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 B F2 N O -","- C19 H14 B F2 N O -","- C76 H56 B4 F8 N4 O4 -","4","1","","Wu, Yanping; Li, Zhenyu; Liu, Qingsong; Wang, Xiaoqing; Yan, Hui; Gong, Shuwen; Liu, Zhipeng; He, Weijiang","High solid-state luminescence in propeller-shaped AIE-active pyridine-ketoiminate-boron complexes.","Organic & biomolecular chemistry","2015","13","20","5775","5782","10.1039/c5ob00607d","","","0.71073","MoKα","","0.0739","0.0379","","","0.092","0.1122","","","","","","0.96","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154439","9.2542","0.0008","9.8875","0.0009","14.4448","0.0013","109.354","0.002","102.882","0.001","95.386","0.001","1195.24","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 B N O -","- C31 H24 B N O -","- C62 H48 B2 N2 O2 -","2","1","","Wu, Yanping; Li, Zhenyu; Liu, Qingsong; Wang, Xiaoqing; Yan, Hui; Gong, Shuwen; Liu, Zhipeng; He, Weijiang","High solid-state luminescence in propeller-shaped AIE-active pyridine-ketoiminate-boron complexes.","Organic & biomolecular chemistry","2015","13","20","5775","5782","10.1039/c5ob00607d","","","0.71073","MoKα","","0.1048","0.0511","","","0.1568","0.2173","","","","","","0.697","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154440","8.5374","0.0002","10.3276","0.0002","18.5918","0.0003","74.951","0.001","77.508","0.001","84.49","0.001","1544.18","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxyphenyl)-1-phenyl-1<i>H</i>-pyrrolo[3,2-<i>b</i>]pyridine","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C80 H64 N8 O4 -","4","2","","Pham, Ngo Nghia; Dang, Thanh Tuan; Ngo, Ngoc Thang; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Facile synthesis of 4- and 7-azaindoles from the corresponding imines by palladium-catalyzed cascade C-C and C-N coupling.","Organic & biomolecular chemistry","2015","13","21","6047","6058","10.1039/c5ob00720h","","","0.71073","MoKα","","0.076","0.0529","","","0.1125","0.1282","","","","","","1.054","","","","has coordinates","138845","2020-10-21","18:00:00",""
"7154441","5.9896","0.0001","11.3423","0.0002","11.1347","0.0002","90","","96.311","0.001","90","","751.86","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(4-Methoxyphenyl)-2-phenyl-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C40 H32 N4 O2 -","2","1","","Pham, Ngo Nghia; Dang, Thanh Tuan; Ngo, Ngoc Thang; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Facile synthesis of 4- and 7-azaindoles from the corresponding imines by palladium-catalyzed cascade C-C and C-N coupling.","Organic & biomolecular chemistry","2015","13","21","6047","6058","10.1039/c5ob00720h","","","0.71073","MoKα","","0.0543","0.0462","","","0.1014","0.1097","","","","","","1.061","","","","has coordinates","138845","2020-10-21","18:00:00",""
"7154442","8.9404","0.0003","19.2009","0.0005","9.662","0.0003","90","","92.373","0.001","90","","1657.19","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2-Naphthyl)-1-phenyl-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C23 H16 N2 -","- C23 H16 N2 -","- C92 H64 N8 -","4","1","","Pham, Ngo Nghia; Dang, Thanh Tuan; Ngo, Ngoc Thang; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Facile synthesis of 4- and 7-azaindoles from the corresponding imines by palladium-catalyzed cascade C-C and C-N coupling.","Organic & biomolecular chemistry","2015","13","21","6047","6058","10.1039/c5ob00720h","","","0.71073","MoKα","","0.0683","0.0512","","","0.121","0.1328","","","","","","1.067","","","","has coordinates","138845","2020-10-21","18:00:00",""
"7154443","9.181","0.004","9.395","0.004","27.281","0.011","90","","90","","90","","2353.1","1.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br2 N2 O3 S -","- C24 H24 Br2 N2 O3 S -","- C96 H96 Br8 N8 O12 S4 -","4","1","","Gui, Yong-Yuan; Yang, Jian; Qi, Liang-Wen; Wang, Xiao; Tian, Fang; Li, Xiao-Nian; Peng, Lin; Wang, Li-Xin","A cinchona alkaloid catalyzed enantioselective sulfa-Michael/aldol cascade reaction of isoindigos: construction of chiral bispirooxindole tetrahydrothiophenes with vicinal quaternary spirocenters.","Organic & biomolecular chemistry","2015","13","22","6371","6379","10.1039/c5ob00774g","","","0.71073","MoKα","","0.1828","0.1472","","","0.3251","0.346","","","","","","1.094","","","","has coordinates","138824","2020-10-21","18:00:00",""
"7154444","20.5153","0.0014","6.7406","0.0004","7.4148","0.0005","90","","90","","90","","1025.36","0.12","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,2,2-trichloro-1-(1H-indol-3-yl)ethan-1-one","","- C10 H6 Cl3 N O -","- C10 H6 Cl3 N O -","- C40 H24 Cl12 N4 O4 -","4","0.5","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0321","0.0282","","","0.066","0.0691","","","","","","1.109","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154445","9.8736","0.0005","11.2992","0.0004","10.6096","0.0005","90","","98.358","0.005","90","","1171.08","0.09","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,2-trichloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one","","- C11 H8 Cl3 N O -","- C11 H8 Cl3 N O -","- C44 H32 Cl12 N4 O4 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0413","0.0303","","","0.065","0.0715","","","","","","1.059","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154446","5.9311","0.0003","10.5722","0.0004","13.4606","0.0006","90","","90","","90","","844.04","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-dichloro-1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one","","- C7 H7 Cl2 N O -","- C7 H7 Cl2 N O -","- C28 H28 Cl8 N4 O4 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0231","0.0222","","","0.0559","0.0566","","","","","","1.098","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154447","6.9827","0.0004","11.0753","0.0006","14.6118","0.0011","90","","111.091","0.005","90","","1054.31","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-dichloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one","","- C11 H9 Cl2 N O -","- C11 H9 Cl2 N O -","- C44 H36 Cl8 N4 O4 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0503","0.0401","","","0.0904","0.0987","","","","","","1.057","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154448","14.3029","0.0005","20.874","0.0009","20.909","0.0008","90","","90","","90","","6242.6","0.4","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2,2-dichloro-3-hydroxy-3-(perfluorophenyl)-1-(p-tolyl)propan-1-one","","- C16 H9 Cl2 F5 O2 -","- C16 H9 Cl2 F5 O2 -","- C256 H144 Cl32 F80 O32 -","16","2","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0563","0.0387","","","0.0921","0.1044","","","","","","1.04","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154449","7.3186","0.0003","9.4938","0.0006","11.797","0.0007","83.481","0.005","89.534","0.004","76.102","0.004","790.37","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","2,2-dichloro-3-hydroxy-1-(1H-indol-3-yl)-3-(perfluorophenyl)propan-1-one","","- C17 H8 Cl2 F5 N O2 -","- C17 H8 Cl2 F5 N O2 -","- C34 H16 Cl4 F10 N2 O4 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0528","0.0392","","","0.0826","0.0911","","","","","","1.041","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154450","7.797","0.0006","9.7342","0.0007","12.022","0.001","91.836","0.007","97.659","0.006","109.698","0.007","848.48","0.12","150","","150","","","","","","","","","6","P -1","-P 1","2","","2,2-dichloro-3-hydroxy-1-(1-methyl-1H-indol-3-yl)-3-(perfluorophenyl)propan-1-one","","- C18 H10 Cl2 F5 N O2 -","- C18 H10 Cl2 F5 N O2 -","- C36 H20 Cl4 F10 N2 O4 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0836","0.0481","","","0.0805","0.0945","","","","","","1.035","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154451","8.4691","0.0005","9.8694","0.0006","10.0248","0.0005","87.037","0.004","87.379","0.004","65.674","0.005","762.23","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)-1-(p-tolyl)propan-1-one","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C32 H26 Cl4 N2 O8 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0502","0.0388","","","0.1011","0.1101","","","","","","1.058","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154452","8.6111","0.0005","10.1757","0.0006","11.1365","0.0007","87.574","0.005","70.982","0.006","75.76","0.005","893.45","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","diethyl 2-(1,1-dichloro-2-(1-methyl-1H-indol-3-yl)-2-oxoethyl)-2-hydroxymalonate","","- C18 H19 Cl2 N O6 -","- C18 H19 Cl2 N O6 -","- C36 H38 Cl4 N2 O12 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0481","0.0365","","","0.0792","0.0879","","","","","","1.07","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154453","8.4445","0.0004","15.4187","0.0007","17.2259","0.0008","90","","90","","90","","2242.87","0.18","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R*,3R*)-2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)-1-(p-tolyl)propyl 4-nitrobenzoate","","- C23 H18 Cl2 N2 O7 -","- C23 H18 Cl2 N2 O7 -","- C92 H72 Cl8 N8 O28 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0492","0.04","","","0.0819","0.0879","","","","","","1.048","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154454","6.7051","0.0003","14.1443","0.0006","15.7774","0.0006","90","","101.326","0.004","90","","1467.17","0.11","150","","150","","","","","","","","","5","P 1 n 1","P -2yac","7","","(1R*,3R*)-1-(4-(tert-butyl)phenyl)-2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)propyl 4-nitrobenzoate","","- C27 H24 Cl5 N2 O7 -","- C27 H24 Cl5 N2 O7 -","- C54 H48 Cl10 N4 O14 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0388","0.0374","","","0.0925","0.0938","","","","","","1.025","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154455","8.4142","0.0004","21.2032","0.0008","8.5672","0.0004","90","","116.111","0.006","90","","1372.47","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","((2R*,3R*)-2-chloro-3-(4-nitrophenyl)oxiran-2-yl)(1-methyl-1H-pyrrol-2-yl)methanone","","- C14 H11 Cl N2 O4 -","- C14 H11 Cl N2 O4 -","- C56 H44 Cl4 N8 O16 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0429","0.0369","","","0.0853","0.0888","","","","","","1.072","","","","has coordinates,has disorder","138836","2020-10-21","18:00:00",""
"7154456","15.66","0.002","7.1579","0.001","14.548","0.002","90","","113.366","0.004","90","","1497","0.4","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","((2R*,3R*)-2-chloro-3-(4-nitrophenyl)oxiran-2-yl)(p-tolyl)methanone","","- C16 H12 Cl N O4 -","- C16 H12 Cl N O4 -","- C64 H48 Cl4 N4 O16 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","x-ray","0.71073","MoKα","K-L~3~","0.0321","0.0302","","","0.0752","0.077","","","","","","1.074","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154457","7.323","0.00009","12.09364","0.00016","15.09304","0.00016","90","","96.2048","0.001","90","","1328.84","0.03","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","((2R*,3R*)-2-chloro-3-(4-nitrophenyl)oxiran-2-yl)(phenyl)methanone","","- C15 H10 Cl N O4 -","- C15 H10 Cl N O4 -","- C60 H40 Cl4 N4 O16 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0447","0.0328","","","0.0724","0.0779","","","","","","1.028","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154458","5.6122","0.0002","9.9184","0.0005","17.5824","0.001","102.312","0.005","94.807","0.004","102.041","0.004","926.69","0.08","130","0.1","130","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C19 H30 O6 -","- C19 H30 O6 -","- C38 H60 O12 -","2","1","","Hickey, Shane M.; Ashton, Trent D.; Khosa, Simren K.; Robson, Ryan N.; White, Jonathan M.; Li, Jian; Nation, Roger L.; Yu, Heidi Y.; Elliott, Alysha G.; Butler, Mark S.; Huang, Johnny X.; Cooper, Matthew A.; Pfeffer, Frederick M.","Synthesis and evaluation of cationic norbornanes as peptidomimetic antibacterial agents.","Organic & biomolecular chemistry","2015","13","22","6225","6241","10.1039/c5ob00621j","","","0.7107","MoKα","","0.0563","0.0448","","","0.1025","0.111","","","","","","1.074","","","","has coordinates","138825","2020-10-21","18:00:00",""
"7154459","8.772","0.006","7.482","0.004","9.64","0.006","90","","113.568","0.015","90","","579.9","0.6","566","2","566","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C20 H30 N2 O12 -","2","1","","Bai, Zhushuang; Ji, Ling; Ge, Zemei; Wang, Xin; Li, Runtao","Asymmetric Michael addition reactions of nitroalkanes to 2-furanones catalyzed by bifunctional thiourea catalysts.","Organic & biomolecular chemistry","2015","13","19","5363","5366","10.1039/c5ob00708a","","","1.54178","CuKα","","0.0424","0.0394","","","0.1053","0.1075","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154460","9.9745","0.0019","13.598","0.004","14.519","0.003","62.086","0.003","69.92","0.002","84.326","0.003","1629.8","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H36 N2 O7 -","- C37 H36 N2 O7 -","- C74 H72 N4 O14 -","2","1","","Otani, Takashi; Tamai, Yumiko; Seki, Kazunori; Kikuchi, Tomohiro; Miyazawa, Taiichiro; Saito, Takao","Stereo-controlled synthesis of polyheterocycles via the diene-transmissive hetero-Diels-Alder reaction of β,γ-unsaturated α-keto esters.","Organic & biomolecular chemistry","2015","13","21","5875","5879","10.1039/c5ob00503e","","","0.71073","MoKα","","0.0676","0.0519","","","0.1334","0.1475","","","","","","1.033","","","","has coordinates","138846","2020-10-21","18:00:00",""
"7154461","10.251","0.008","14.38","0.011","19.976","0.016","72.13","0.009","88.557","0.01","69.446","0.009","2613","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H59 Cl3 N2 O10 -","- C55 H59 Cl3 N2 O10 -","- C110 H118 Cl6 N4 O20 -","2","1","","Otani, Takashi; Tamai, Yumiko; Seki, Kazunori; Kikuchi, Tomohiro; Miyazawa, Taiichiro; Saito, Takao","Stereo-controlled synthesis of polyheterocycles via the diene-transmissive hetero-Diels-Alder reaction of β,γ-unsaturated α-keto esters.","Organic & biomolecular chemistry","2015","13","21","5875","5879","10.1039/c5ob00503e","","","0.71073","MoKα","","0.1389","0.081","","","0.2225","0.252","","","","","","1.399","","","","has coordinates,has disorder","138846","2020-10-21","18:00:00",""
"7154462","11.088","0.002","18.565","0.004","13.258","0.003","90","","90","","90","","2729.1","1","133","2","133","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","","Duda, Blazej; Lentz, Dieter","Simultaneous introduction of trifluoromethyl and λ(6)-pentafluorosulfanyl substituents using F5S-C[triple bond, length as m-dash]C-CF3 as a dienophile.","Organic & biomolecular chemistry","2015","13","20","5625","5628","10.1039/c5ob00610d","","","0.71073","MoKα","","0.0565","0.0476","","","0.115","0.1215","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154463","16.519","0.006","12.951","0.005","17.522","0.006","90","","106.652","0.007","90","","3591","2","138","2","138","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 F8 S -","- C21 H16 F8 S -","- C168 H128 F64 S8 -","8","1","","Duda, Blazej; Lentz, Dieter","Simultaneous introduction of trifluoromethyl and λ(6)-pentafluorosulfanyl substituents using F5S-C[triple bond, length as m-dash]C-CF3 as a dienophile.","Organic & biomolecular chemistry","2015","13","20","5625","5628","10.1039/c5ob00610d","","","0.71073","MoKα","","0.0636","0.0468","","","0.123","0.1411","","","","","","1.099","","","","has coordinates","138838","2020-10-21","18:00:00",""
"7154464","7.7588","0.0003","5.5583","0.0002","12.2776","0.0006","90","","97.98","0.002","90","","524.35","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,6R)-6-(aminomethyl)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-en-6-ol","","- C11 H19 N O -","- C11 H19 N O -","- C22 H38 N2 O2 -","2","1","","Alves, Leandro de C; Desiderá, André L; de Oliveira, Kleber T.; Newton, Sean; Ley, Steven V.; Brocksom, Timothy J.","A practical deca-gram scale ring expansion of (R)-(-)-carvone to (R)-(+)-3-methyl-6-isopropenyl-cyclohept-3-enone-1.","Organic & biomolecular chemistry","2015","13","28","7633","7642","10.1039/c5ob00525f","","","0.71073","MoKα","","0.0567","0.0445","","","0.1052","0.1097","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154465","11.8867","0.0003","12.5284","0.0006","13.0514","0.0004","79.096","0.004","89.444","0.002","77.23","0.005","1860.29","0.12","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H25 N3 -","- C21 H25 N3 -","- C84 H100 N12 -","4","2","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0473","0.0452","","","0.1167","0.1186","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154466","16.449","0.0008","16.449","0.0008","8.4714","0.0004","90","","90","","90","","2292.1","0.19","223","2","223","2","","","","","","","","3","P -4","P -4","81","","","","- C26 H27 N3 -","- C26 H27 N3 -","- C104 H108 N12 -","4","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0693","0.0592","","","0.1527","0.1621","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154467","12.9137","0.0005","14.1902","0.0004","14.606","0.0006","107.781","0.002","90.352","0.002","98.594","0.002","2516.23","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C126 H102 N18 O6 -","6","3","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0432","0.0381","","","0.1002","0.1046","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154468","14.6582","0.0009","17.3558","0.0012","7.0639","0.0007","90","","98.146","0.003","90","","1779","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N3 -","- C20 H16 Cl N3 -","- C80 H64 Cl4 N12 -","4","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","0.71073","MoKα","","0.0562","0.0411","","","0.1066","0.1121","","","","","","0.984","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154469","8.9276","0.0002","9.0785","0.0002","16.8687","0.0003","90","","96.058","0.002","90","","1359.56","0.05","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","0.71073","MoKα","","0.051","0.0442","","","0.1042","0.1107","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154470","7.7886","0.0002","9.935","0.0003","13.6151","0.0004","83.463","0.002","84.947","0.002","73.188","0.002","1000.26","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl N3 O3 -","- C22 H22 Cl N3 O3 -","- C44 H44 Cl2 N6 O6 -","2","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0443","0.0362","","","0.0873","0.091","","","","","","1.053","","","","has coordinates,has disorder","138826","2020-10-21","18:00:00",""
"7154471","7.052","0.002","19.594","0.007","19.706","0.007","90","","90","","90","","2722.9","1.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mx3217","","- C15 H10 Cl N3 O2 -","- C15 H10 Cl N3 O2 -","- C120 H80 Cl8 N24 O16 -","8","2","","Li, Gen; Feng, Xiangqing; Du, Haifeng","Palladium-catalyzed asymmetric allylic amination of racemic butadiene monoxide with isatin derivatives.","Organic & biomolecular chemistry","2015","13","20","5826","5830","10.1039/c5ob00663e","","","0.71073","MoKα","","0.0917","0.0766","","","0.1306","0.14","","","","","","1.135","","","","has coordinates","138839","2020-10-21","18:00:00",""
"7154472","11.205","0.003","11.346","0.003","13.093","0.004","108.312","0.003","90.218","0.003","112.482","0.003","1445.5","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 O2 S2 Si2 -","- C26 H40 O2 S2 Si2 -","- C52 H80 O4 S4 Si4 -","2","1","","Tarao, Asami; Tabuchi, Yukako; Sugimoto, Eri; Ikeda, Miki; Uchimoto, Hitomi; Arimitsu, Kenji; Kimura, Hiroyuki; Kawasaki, Ikuo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Nishide, Kiyoharu","A mechanistic investigation of anti-elimination in (Z)-1,2-bis(arylseleno)-1-alkenes and their sulfur analogs.","Organic & biomolecular chemistry","2015","13","21","5964","5971","10.1039/c5ob00490j","","","0.71073","MoKα","","0.0554","0.0411","","","0.0986","0.1064","","","","","","1.033","","","","has coordinates,has disorder","138848","2020-10-21","18:00:00",""
"7154473","12.939","0.003","6.3984","0.0013","11.757","0.003","90","","94.899","0.005","90","","969.8","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Shibuya, M.; Sudoh, T.; Kawamura, T.; Yamamoto, Y.","A lactone-fused cyclohexadiene as a versatile platform for diversified synthesis of 5,6,5-tricyclic scaffolds.","Organic & biomolecular chemistry","2015","13","21","5862","5866","10.1039/c5ob00729a","","","0.71073","MoKα","","0.0594","0.0476","","","0.1205","0.1278","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154474","16.6489","0.0007","9.9633","0.0005","20.3053","0.0009","90","","109.201","0.0012","90","","3180.8","0.3","93","0.2","93","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C128 H168 N8 O48 -","8","2","","Shibuya, M.; Sudoh, T.; Kawamura, T.; Yamamoto, Y.","A lactone-fused cyclohexadiene as a versatile platform for diversified synthesis of 5,6,5-tricyclic scaffolds.","Organic & biomolecular chemistry","2015","13","21","5862","5866","10.1039/c5ob00729a","","","0.71073","MoKa","","0.0449","0.0356","","","0.0866","0.0921","","","","","","1.02","","","","has coordinates,has disorder","193656","2020-10-21","18:00:00",""
"7154475","24.3516","0.0013","7.983","0.0004","10.7485","0.0005","90","","101.346","0.0014","90","","2048.66","0.18","93","0.2","93","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C88 H112 O40 -","8","2","","Shibuya, M.; Sudoh, T.; Kawamura, T.; Yamamoto, Y.","A lactone-fused cyclohexadiene as a versatile platform for diversified synthesis of 5,6,5-tricyclic scaffolds.","Organic & biomolecular chemistry","2015","13","21","5862","5866","10.1039/c5ob00729a","","","0.71073","MoKα","","0.0376","0.0339","","","0.0862","0.089","","","","","","1.024","","","","has coordinates","138849","2020-10-21","18:00:00",""
"7154476","11.5662","0.0007","10.3707","0.0007","18.8464","0.0012","90","","106.582","0.007","90","","2166.6","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C112 H92 N4 O8 -","4","1","","Zhang, Shuai; Ma, Yuanhong; Lan, Jingbo; Song, Feijie; You, Jingsong","Gold-catalyzed cascade C-H/C-H cross-coupling/cyclization/alkynylation: an efficient access to 3-alkynylpyrroles.","Organic & biomolecular chemistry","2015","13","21","5867","5870","10.1039/c5ob00599j","","","0.7107","MoKα","","0.063","0.0481","","","0.1143","0.1244","","","","","","1.044","","","","has coordinates","138850","2020-10-21","18:00:00",""
"7154477","8.265","0.0008","9.9045","0.0009","12.9392","0.0009","87.58","0.006","89.28","0.007","81.755","0.008","1047.31","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 I N O2 -","- C26 H18 I N O2 -","- C52 H36 I2 N2 O4 -","2","1","","Zhang, Shuai; Ma, Yuanhong; Lan, Jingbo; Song, Feijie; You, Jingsong","Gold-catalyzed cascade C-H/C-H cross-coupling/cyclization/alkynylation: an efficient access to 3-alkynylpyrroles.","Organic & biomolecular chemistry","2015","13","21","5867","5870","10.1039/c5ob00599j","","","0.71073","MoKα","","0.0481","0.0361","","","0.0693","0.0754","","","","","","1.053","","","","has coordinates","138850","2020-10-21","18:00:00",""
"7154478","7.7849","0.0001","22.0042","0.0004","17.4037","0.0003","90","","93.534","0.001","90","","2975.59","0.08","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 B F10 P -","- C32 H24 B F10 P -","- C128 H96 B4 F40 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.0865","0.058","","","0.1256","0.1444","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154479","10.8338","0.0001","16.5708","0.0002","19.0605","0.0003","90","","91.147","0.001","90","","3421.15","0.07","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 B F13 O3 P S -","- C33 H25 B F13 O3 P S -","- C132 H100 B4 F52 O12 P4 S4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.0722","0.0566","","","0.1264","0.1383","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154480","9.8988","0.0001","12.2385","0.0001","13.9479","0.0001","90.586","0.001","107.262","0.001","99.498","0.001","1588.36","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 B F10 P -","- C32 H26 B F10 P -","- C64 H52 B2 F20 P2 -","2","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0554","0.05","","","0.1519","0.1558","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154481","13.055","0.0005","18.7048","0.0008","15.4615","0.0006","90","","103.848","0.003","90","","3665.8","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 B F13 O3 P S -","- C33 H27 B F13 O3 P S -","- C132 H108 B4 F52 O12 P4 S4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0919","0.0534","","","0.1359","0.1536","","","","","","1.007","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154482","8.814","0.0003","24.0603","0.0008","14.3592","0.0004","90","","104.377","0.002","90","","2949.76","0.16","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 B F10 P -","- C32 H28 B F10 P -","- C128 H112 B4 F40 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0598","0.0574","","","0.1339","0.1352","","","","","","1.121","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154483","11.2185","0.0002","11.8258","0.0002","15.1455","0.0003","90.266","0.001","108.687","0.001","103.129","0.001","1847.1","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 B Cl2 F10 P -","- C40 H34 B Cl2 F10 P -","- C80 H68 B2 Cl4 F20 P2 -","2","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.0776","0.0604","","","0.1437","0.1582","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154484","18.0651","0.0003","10.2032","0.0001","23.1974","0.0004","90","","107.174","0.001","90","","4085.14","0.11","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H33 B F13 O3 P S -","- C40 H33 B F13 O3 P S -","- C160 H132 B4 F52 O12 P4 S4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.1025","0.072","","","0.1763","0.1941","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154485","14.7699","0.0005","16.8329","0.0005","17.5277","0.0007","90","","99.02","0.002","90","","4303.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H27 B2 F20 P -","- C44 H27 B2 F20 P -","- C176 H108 B8 F80 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0569","0.0441","","","0.1168","0.1242","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154486","11.7085","0.0002","20.9557","0.0004","17.8664","0.0003","90","","107.975","0.001","90","","4169.73","0.13","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H27 B2 F20 O P -","- C45 H27 B2 F20 O P -","- C180 H108 B8 F80 O4 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.1057","0.0669","","","0.132","0.156","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154487","8.8516","0.0003","9.08","0.0004","11.1409","0.0008","90","","108.971","0.008","90","","846.79","0.09","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Si, Debjani; Peczuh, Mark W.","Synthesis, structure and reactivity of [15]-macrodilactones.","Organic & biomolecular chemistry","2015","13","23","6463","6467","10.1039/c5ob00809c","","","1.54187","CuKα","","0.0296","0.0251","","","0.0597","0.0623","","","","","","1.066","","","","has coordinates","138853","2020-10-21","18:00:00",""
"7154488","9.2824","0.0005","10.8659","0.0006","14.2839","0.0007","109.87","0.003","103.464","0.002","98.966","0.003","1273.46","0.12","192","2","192","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Br Cl N O4 -","- C30 H21 Br Cl N O4 -","- C60 H42 Br2 Cl2 N2 O8 -","2","1","","Zhang, Shao-Yun; Ruan, Gui-Yu; Geng, Zhi-Cong; Li, Nai-Kai; Lv, Ming; Wang, Yong; Wang, Xing-Wang","Organocatalytic regioselective asymmetric Michael addition of azlactones to o-hydroxy chalcone derivatives.","Organic & biomolecular chemistry","2015","13","20","5698","5709","10.1039/c5ob00121h","","","0.71073","MoKα","","0.0717","0.046","","","0.1069","0.115","","","","","","1.031","","","","has coordinates","138842","2020-10-21","18:00:00",""
"7154489","8.6637","0.0007","15.5478","0.0012","11.0472","0.0009","90","","90","","90","","1488.1","0.2","294","2","294","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","","Reddy, B. V. Subba; Someswarao, B.; Prudhviraju, N.; Reddy, B. Jagan Mohan; Sridhar, B.; Kumar, S. Kiran","An iodine catalyzed metal free domino process for the stereoselective synthesis of oxygen bridged bicyclic ethers.","Organic & biomolecular chemistry","2015","13","24","6737","6741","10.1039/c5ob00518c","","","0.71073","MoKα","","0.0509","0.0489","","","0.1088","0.1099","","","","","","1.263","","","","has coordinates","143750","2020-10-21","18:00:00",""
"7154490","23.7902","0.0019","30.832","0.002","43.42","0.003","90","","90","","90","","31849","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB7","CB7","","- C56 H103 I2 N30 O29.5 -","- C56 H92 I2 N30 O29.535 -","- C896 H1472 I32 N480 O472.56 -","16","2","","Cao, Liping; Škalamera, Đani; Zavalij, Peter Y.; Hostaš, Jiří; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Influence of hydrophobic residues on the binding of CB[7] toward diammonium ions of common ammoniumammonium distance.","Organic & biomolecular chemistry","2015","13","22","6249","6254","10.1039/c5ob00784d","","","0.71073","MoKα","","0.053","0.0404","","","0.1026","0.1117","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154491","35.892","0.003","13.475","0.001","34.752","0.003","90","","90","","90","","16808","2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","CB7-guest","CB7-guest","","- C60 H98 F6 N30 O36 S2 -","- C60 H66 F6 N30 O35.0695 S2 -","- C480 H528 F48 N240 O280.556 S16 -","8","2","","Cao, Liping; Škalamera, Đani; Zavalij, Peter Y.; Hostaš, Jiří; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Influence of hydrophobic residues on the binding of CB[7] toward diammonium ions of common ammoniumammonium distance.","Organic & biomolecular chemistry","2015","13","22","6249","6254","10.1039/c5ob00784d","","","0.71073","MoKα","","0.0859","0.0779","","","0.1595","0.1638","","","","","","1.065","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154492","5.947","0.003","7.118","0.003","32.87","0.011","90","","90","","90","","1391.4","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C60 H52 Br4 N8 O8 -","4","1","","Maity, Rajendra; Pan, Subhas Chandra","Organocatalytic asymmetric intramolecular aza-Henry reaction: facile synthesis of trans-2,3-disubstituted tetrahydroquinolines.","Organic & biomolecular chemistry","2015","13","24","6825","6831","10.1039/c5ob00795j","","","0.71073","MoKα","","0.0801","0.0385","","","0.0949","0.1243","","","","","","1.024","","","","has coordinates","143749","2020-10-21","18:00:00",""
"7154493","5.14008","0.00006","9.60877","0.00009","18.4697","0.0002","90","","90","","90","","912.216","0.017","120.01","0.1","120.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 N O6 S -","- C6 H13 N O6 S -","- C24 H52 N4 O24 S4 -","4","1","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","x-ray","0.71073","MoKα","","0.0293","0.0266","","","0.0799","0.0819","","","","","","1.172","","","","has coordinates","138852","2020-10-21","18:00:00",""
"7154494","4.709","0.0009","38.306","0.008","11.942","0.002","90","","90.36","0.03","90","","2154.1","0.7","120","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H28 O5 -","- C26 H28 O5 -","- C104 H112 O20 -","4","2","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","","0.7108","synchrotron","","0.1008","0.084","","","0.2101","0.2231","","","","","","1.127","","","","has coordinates,has disorder","138852","2020-10-21","18:00:00",""
"7154495","5.094","0.001","12.212","0.002","30.472","0.006","96.75","0.03","94.01","0.03","92.39","0.03","1875.5","0.6","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C30 H66 N4 O13 S2 -","- C30 H66 N4 O13 S2 -","- C60 H132 N8 O26 S4 -","2","2","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","","0.7108","synchrotron","","0.1915","0.1302","","","0.3225","0.3624","","","","","","1.102","","","","has coordinates,has disorder","138852","2020-10-21","18:00:00",""
"7154496","16.1194","0.0003","8.0643","0.00015","16.6212","0.0003","90","","118.785","0.0007","90","","1893.64","0.06","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-6-phenylthio-N-(quinolin-8-yl)benzamide","","- C23 H18 N2 O S -","- C23 H18 N2 O S -","- C92 H72 N8 O4 S4 -","4","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","x-ray","1.54187","CuKα","","","0.0412","","","","0.1013","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154497","7.84222","0.00014","10.50484","0.00019","12.7128","0.0003","98.844","0.001","95.2486","0.0011","107.102","0.001","978.67","0.03","123","","123","","","","","","","","","5","P -1","-P 1","2","","2-(4-Methylbenzenesulfonyl)-6-methyl-N-(quinolin-8-yl)benzamide","","- C24 H20 N2 O3 S -","- C24 H20 N2 O3 S -","- C48 H40 N4 O6 S2 -","2","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","x-ray","1.54187","CuKα","","","0.0438","","","","0.1903","","","","","","1.075","","","","has coordinates","143751","2020-10-21","18:00:00",""
"7154498","10.2496","0.00019","10.78136","0.00019","13.5184","0.0003","65.7836","0.001","78.6515","0.0011","89.8471","0.0012","1330.66","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","2-(4-Methylbenzenesulfonyl)-6-methyl-N-(5-(4-methylbenzenesulfonyl)quinolin-8-yl)benzamide","","- C31 H26 N2 O5 S2 -","- C31 H26 N2 O5 S2 -","- C62 H52 N4 O10 S4 -","2","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","x-ray","1.54187","CuKα","","","0.0403","","","","0.1212","","","","","","1.11","","","","has coordinates","143751","2020-10-21","18:00:00",""
"7154499","7.2995","0.0004","8.9313","0.0004","23.2132","0.0012","90","","90.8321","0.0017","90","","1513.2","0.13","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methyl-2-(methylsulfanyl)-N-(quinolin-8-yl)benzamide","","- C18 H16 N2 O S -","- C18 H16 N2 O S -","- C72 H64 N8 O4 S4 -","4","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","","0.71075","MoKα","","","0.0416","","","","0.109","","","","","","1.07","","","","has coordinates","143751","2020-10-21","18:00:00",""
"7154500","13.9327","0.0012","5.8545","0.0005","18.9127","0.0015","90","","109.456","0.005","90","","1454.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Nath, Utpal; Banerjee, Ankush; Ghosh, Bidhan; Pan, Subhas Chandra","Organocatalytic asymmetric Michael addition of 1-acetylcyclohexene and 1-acetylcyclopentene to nitroolefins.","Organic & biomolecular chemistry","2015","13","25","7076","7083","10.1039/c5ob00878f","","","0.71073","MoKα","","0.1735","0.0901","","","0.1455","0.1667","","","","","","1.235","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154501","7.4874","0.0006","7.3181","0.0004","15.1101","0.0013","90","","103.139","0.005","90","","806.26","0.11","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Quick, Matthias P.; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Asymmetric synthesis of 3-substituted tetrahydro-2-benzazepines.","Organic & biomolecular chemistry","2015","13","26","7265","7281","10.1039/c5ob00731c","","","1.54178","CuKα","","0.0534","0.0454","","","0.1092","0.1164","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154502","7.9192","0.0002","14.304","0.0009","14.6004","0.0009","90","","90","","90","","1653.88","0.15","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Quick, Matthias P.; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Asymmetric synthesis of 3-substituted tetrahydro-2-benzazepines.","Organic & biomolecular chemistry","2015","13","26","7265","7281","10.1039/c5ob00731c","","","1.54178","CuKα","","0.0431","0.0399","","","0.0998","0.1029","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154503","9.1457","0.0004","21.3132","0.0009","9.5797","0.0004","90","","111.479","0.0012","90","","1737.63","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6b","","- C21 H19 N S2 -","- C21 H19 N S2 -","- C84 H76 N4 S8 -","4","1","","Kröger, Denis; Brockmeyer, Fabian; Kahrs, Christoph","A three-component reaction for rapid access to underexplored 1,3-thiazine-2-thiones.","Organic & biomolecular chemistry","2015","13","26","7223","7229","10.1039/c5ob00377f","","","0.71073","MoKα","","0.0398","0.0337","","","0.0879","0.0911","","","","","","1.116","","","","has coordinates","143737","2020-10-21","18:00:00",""
"7154504","10.3443","0.0005","9.3521","0.0004","17.9838","0.0008","90","","96.879","0.0015","90","","1727.25","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2a","","- C19 H17 N O S2 -","- C19.003 H17.006 N1.001 O S2 -","- C76.012 H68.024 N4.004 O4 S8 -","4","1","","Kröger, Denis; Brockmeyer, Fabian; Kahrs, Christoph","A three-component reaction for rapid access to underexplored 1,3-thiazine-2-thiones.","Organic & biomolecular chemistry","2015","13","26","7223","7229","10.1039/c5ob00377f","","","0.71073","MoKα","","0.0488","0.0375","","","0.0949","0.1039","","","","","","1.108","","","","has coordinates,has disorder","143737","2020-10-21","18:00:00",""
"7154505","12.8835","0.0011","13.3978","0.0011","15.0065","0.0012","74.581","0.004","88.333","0.004","85.714","0.004","2490","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H15 F20 N5 O -","- C46 H15 F20 N5 O -","- C92 H30 F40 N10 O2 -","2","1","","Aguiar, António; Leite, Andreia; Silva, André M N; Tomé, Augusto C; Cunha-Silva, Luís; de Castro, Baltazar; Rangel, Maria; Silva, Ana M. G.","Isoxazolidine-fused meso-tetraarylchlorins as key tools for the synthesis of mono- and bis-annulated chlorins.","Organic & biomolecular chemistry","2015","13","26","7131","7135","10.1039/c5ob00800j","","","0.71073","MoKα","","0.092","0.057","","","0.1443","0.1585","","","","","","1.058","","","","has coordinates","143738","2020-10-21","18:00:00",""
"7154506","16.142","0.002","16.546","0.002","18.655","0.002","72.9","0.007","88.417","0.007","85.613","0.006","4748.2","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H15 F18 N5 O -","- C46 H15 F18 N5 O -","- C184 H60 F72 N20 O4 -","4","2","","Aguiar, António; Leite, Andreia; Silva, André M N; Tomé, Augusto C; Cunha-Silva, Luís; de Castro, Baltazar; Rangel, Maria; Silva, Ana M. G.","Isoxazolidine-fused meso-tetraarylchlorins as key tools for the synthesis of mono- and bis-annulated chlorins.","Organic & biomolecular chemistry","2015","13","26","7131","7135","10.1039/c5ob00800j","","","0.71073","MoKα","","0.128","0.0706","","","0.1919","0.2129","","","","","","1.058","","","","has coordinates","143738","2020-10-21","18:00:00",""
"7154507","9.835","0.004","10.412","0.004","10.568","0.004","90","","97.195","0.006","90","","1073.7","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 B N O2 -","- C25 H30 B N O2 -","- C50 H60 B2 N2 O4 -","2","1","","Feng, Chao; Wang, Hong; Xu, Liang; Li, Pengfei","N-B dative bond-induced [3.3.0] bicyclic boronate-tethered exo-selective intramolecular Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","26","7136","7139","10.1039/c5ob00917k","","","0.71073","MoKα","","0.0909","0.0537","","","0.0798","0.0903","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154508","13.048","0.002","10.7891","0.0019","12.787","0.002","90","","112.161","0.002","90","","1667.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 B N O4 -","- C18 H20 B N O4 -","- C72 H80 B4 N4 O16 -","4","1","","Feng, Chao; Wang, Hong; Xu, Liang; Li, Pengfei","N-B dative bond-induced [3.3.0] bicyclic boronate-tethered exo-selective intramolecular Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","26","7136","7139","10.1039/c5ob00917k","","","0.71073","MoKα","","0.074","0.0634","","","0.1492","0.1547","","","","","","1.098","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154509","21.3422","0.0005","8.1975","0.0002","8.0145","0.0002","90","","90","","90","","1402.16","0.06","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,6-Dichloro-3,5-diphenylpyridine","","- C17 H11 Cl2 N -","- C17 H11 Cl2 N -","- C68 H44 Cl8 N4 -","4","0.5","","Reimann, Sebastian; Parpart, Silvio; Ehlers, Peter; Sharif, Muhammad; Spannenberg, Anke; Langer, Peter","Synthesis of tetraarylpyridines by chemo-selective Suzuki-Miyaura reactions of 3,5-dibromo-2,6-dichloropyridine.","Organic & biomolecular chemistry","2015","13","24","6832","6838","10.1039/c5ob00866b","","","0.71073","MoKα","","0.0269","0.0255","","","0.0683","0.07","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154510","14.577","0.0003","10.7855","0.0003","7.6172","0.0002","90","","102.298","0.001","90","","1170.1","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-2,6-dichloro-5-(4-tolyl)pyridine","","- C12 H8 Br Cl2 N -","- C12 H8 Br Cl2 N -","- C48 H32 Br4 Cl8 N4 -","4","1","","Reimann, Sebastian; Parpart, Silvio; Ehlers, Peter; Sharif, Muhammad; Spannenberg, Anke; Langer, Peter","Synthesis of tetraarylpyridines by chemo-selective Suzuki-Miyaura reactions of 3,5-dibromo-2,6-dichloropyridine.","Organic & biomolecular chemistry","2015","13","24","6832","6838","10.1039/c5ob00866b","","","0.71073","MoKα","","0.0264","0.0212","","","0.0528","0.0547","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154511","8.5739","0.0012","8.8346","0.0011","12.8819","0.0017","85.544","0.003","78.226","0.003","80.599","0.003","941.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Probe5","","- C21 H20 N6 O -","- C21 H20 N6 O -","- C42 H40 N12 O2 -","2","1","","Mishra, Pratryush Kumar; Saha, Tanmoy; Talukdar, Pinaki","Hydrogen sulfide mediated cascade reaction forming an iminocoumarin: applications in fluorescent probe development and live-cell imaging.","Organic & biomolecular chemistry","2015","13","27","7430","7436","10.1039/c5ob00785b","","","0.71073","MoKα","","0.0672","0.0424","","","0.1241","0.1429","","","","","","0.947","","","","has coordinates","143752","2020-10-21","18:00:00",""
"7154512","7.9698","0.0013","11.8816","0.0019","18.669","0.003","92.975","0.002","96.585","0.002","104.742","0.002","1692.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H35 N O2 S2 -","- C42 H35 N O2 S2 -","- C84 H70 N2 O4 S4 -","2","1","","Li, Ziyong; Han, Xie; Chen, Haiyan; Wu, Di; Hu, Fang; Liu, Sheng Hua; Yin, Jun","Construction of photoswitchable rotaxanes and catenanes containing dithienylethene fragments.","Organic & biomolecular chemistry","2015","13","26","7313","7322","10.1039/c5ob00864f","","","0.71073","MoKα","","0.0593","0.0475","","","0.1466","0.177","","","","","","1.085","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154513","9.4761","0.0003","6.4856","0.0002","19.7055","0.0006","90","","113.13","0.002","90","","1113.71","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel","Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2015","13","25","6940","6943","10.1039/c5ob00933b","","","1.54178","CuKα","","0.0725","0.0697","","","0.1829","0.1866","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154514","13.5756","0.0009","6.3249","0.0002","21.7126","0.0014","90","","103.223","0.002","90","","1814.91","0.18","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bridge 2 allyl","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel","Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2015","13","25","6940","6943","10.1039/c5ob00933b","","","0.71073","MoKα","","0.1676","0.0905","","","0.1933","0.24","","","","","","1.116","","","","has coordinates","143743","2020-10-21","18:00:00",""
"7154515","12.237","0.01","13.706","0.011","10.137","0.008","90","","110.864","0.016","90","","1589","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bridge 1 CH3 allyl COPh PG RB","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel","Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2015","13","25","6940","6943","10.1039/c5ob00933b","","","0.71073","MoKα","","0.1561","0.076","","","0.1989","0.2321","","","","","","1.037","","","","has coordinates","143743","2020-10-21","18:00:00",""
"7154516","6.59","0.001","14.579","0.001","25.484","0.001","90","","90","","90","","2448.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R)-(9H-fluoren-9-yl)methyl 4-((R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-isopropyl-3-oxo-3,4-dihydropyrazine-1-(2H)-carboxylate","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C104 H112 N8 O24 -","4","1","","Lenci, Elena; Innocenti, Riccardo; Menchi, Gloria; Faggi, Cristina; Trabocchi, Andrea","Two-step one-pot synthesis of dihydropyrazinones as Xaa-Ser dipeptide isosteres through morpholine acetal rearrangement.","Organic & biomolecular chemistry","2015","13","25","7013","7019","10.1039/c5ob00783f","","","1.54178","CuKα","","0.1352","0.108","","","0.2858","0.3385","","","","","","1.176","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154517","12.699","0.0004","9.0798","0.0003","16.4608","0.0005","90","","101.323","0.001","90","","1861.06","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-fluorophenyl)-8-methyl-4-(phenylamino)pyrano[3',4':5,6]pyrano[2,3-d]pyrimidin-6(5H)-one","","- C23 H16 F N3 O3 -","- C23 H16 F N3 O3 -","- C92 H64 F4 N12 O12 -","4","1","","Suresh, Lingala; Poornachandra, Y.; Kanakaraju, S.; Ganesh Kumar, C.; Chandramouli, G. V. P.","One-pot three-component domino protocol for the synthesis of novel pyrano[2,3-d]pyrimidines as antimicrobial and anti-biofilm agents.","Organic & biomolecular chemistry","2015","13","26","7294","7306","10.1039/c5ob00693g","","","0.71073","MoKα","","0.0736","0.0443","","","0.1191","0.1442","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154518","10.476","0.0001","8.883","0.0001","18.154","0.0002","90","","90","","90","","1689.38","0.03","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O5 S -","- C17 H14 Br N O5 S -","- C68 H56 Br4 N4 O20 S4 -","4","1","","De Munck, Lode; Monleón, Alicia; Vila, Carlos; Muñoz, M Carmen; Pedro, José R","Enantioselective alkynylation of benzo[e][1,2,3]-oxathiazine 2,2-dioxides catalysed by (R)-VAPOL-Zn complexes: synthesis of chiral propargylic cyclic sulfamidates.","Organic & biomolecular chemistry","2015","13","27","7393","7396","10.1039/c5ob01012h","","","0.71073","MoKα","","0.0404","0.0285","","","0.0799","0.1","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154519","28.643","0.006","11.259","0.002","19.703","0.004","90","","90.2","0.03","90","","6354","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H39.5 Cl N2 O1.25 -","- C39 H39 Cl N2 O1.25 -","- C312 H312 Cl8 N16 O10 -","8","1","","Ge, Qingmei; Li, Bin; Song, Haibin; Wang, Baiquan","Rhodium(iii)-catalyzed cascade oxidative annulation reactions of aryl imidazolium salts with alkynes involving multiple C-H bond activation.","Organic & biomolecular chemistry","2015","13","28","7695","7710","10.1039/c5ob00823a","","","0.71073","MoKα","","0.0919","0.0672","","","0.1703","0.187","","","","","","1.078","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154520","11.315","0.002","11.329","0.002","17.137","0.003","77.58","0.03","83.63","0.03","66.83","0.03","1971.5","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H45 Cl4 N2 Rh -","- C44.5 H42 Cl4 N2 Rh -","- C89 H84 Cl8 N4 Rh2 -","2","1","","Ge, Qingmei; Li, Bin; Song, Haibin; Wang, Baiquan","Rhodium(iii)-catalyzed cascade oxidative annulation reactions of aryl imidazolium salts with alkynes involving multiple C-H bond activation.","Organic & biomolecular chemistry","2015","13","28","7695","7710","10.1039/c5ob00823a","","","0.71073","MoKα","","0.0965","0.0594","","","0.1428","0.2094","","","","","","1.162","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154521","15.6931","0.0003","21.8725","0.0004","5.0383","0.0001","90","","90","","90","","1729.38","0.06","133","2","133","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Jimenez-Aleman, Guillermo H; Machado, Ricardo A. R.; Görls, Helmar; Baldwin, Ian T.; Boland, Wilhelm","Synthesis, structural characterization and biological activity of two diastereomeric JA-Ile macrolactones.","Organic & biomolecular chemistry","2015","13","21","5885","5893","10.1039/c5ob00362h","","","0.71073","MoKα","","0.0617","0.0466","","","0.0881","0.0946","","","","","","1.164","","","","has coordinates","138462","2020-10-21","18:00:00",""
"7154522","5.7917","0.0003","15.4852","0.0007","18.6976","0.0009","90","","90","","90","","1676.91","0.14","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Jimenez-Aleman, Guillermo H; Machado, Ricardo A. R.; Görls, Helmar; Baldwin, Ian T.; Boland, Wilhelm","Synthesis, structural characterization and biological activity of two diastereomeric JA-Ile macrolactones.","Organic & biomolecular chemistry","2015","13","21","5885","5893","10.1039/c5ob00362h","","","0.71073","MoKα","","0.0309","0.0296","","","0.0749","0.0759","","","","","","1.031","","","","has coordinates","138462","2020-10-21","18:00:00",""
"7154523","19.775","0.006","18.874","0.008","16.723","0.004","90","","114.545","0.015","90","","5678","3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-DEM-3NO2-TtBuPCorrCu","","","- C57.65 H57.65 Cl4.94 Cu N5 O6 -","- C57.647 H57.647 Cl4.941 Cu N5 O6 -","- C230.588 H230.588 Cl19.764 Cu4 N20 O24 -","4","1","","Stefanelli, M.; Mandoj, F.; Nardis, S.; Raggio, M.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.","Corrole and nucleophilic aromatic substitution are not incompatible: a novel route to 2,3-difunctionalized copper corrolates.","Organic & biomolecular chemistry","2015","13","23","6611","6618","10.1039/c5ob00659g","","","1.54184","CuKα","","0.1248","0.0742","","","0.1916","0.2211","","","","","","1.026","","","","has coordinates,has disorder","138463","2020-10-21","18:00:00",""
"7154524","10.989","0.003","12.217","0.0018","18.019","0.003","95.03","0.01","107.036","0.015","91.279","0.007","2301.1","0.8","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C52 H51 Cl3 Cu N5 O3 -","- C52 H51 Cl3 Cu N5 O3 -","- C104 H102 Cl6 Cu2 N10 O6 -","2","1","","Stefanelli, M.; Mandoj, F.; Nardis, S.; Raggio, M.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.","Corrole and nucleophilic aromatic substitution are not incompatible: a novel route to 2,3-difunctionalized copper corrolates.","Organic & biomolecular chemistry","2015","13","23","6611","6618","10.1039/c5ob00659g","","","1.54184","CuKα","","0.0936","0.0676","","","0.1878","0.2056","","","","","","1.048","","","","has coordinates","138463","2020-10-21","18:00:00",""
"7154525","20.3839","0.0014","6.2114","0.0003","25.511","0.0016","90","","97.442","0.006","90","","3202.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C152 H200 N8 O16 -","8","1","","Coe, Samuel; Pereira, Nicole; Geden, Joanna V.; Clarkson, Guy J.; Fox, David J.; Napier, Richard M.; Neve, Paul; Shipman, Michael","Ring closing metathesis reactions of α-methylene-β-lactams: application to the synthesis of a simplified phyllostictine analogue with herbicidal activity.","Organic & biomolecular chemistry","2015","13","28","7655","7663","10.1039/c5ob00890e","","","1.54184","CuKα","","0.0773","0.0649","","","0.173","0.1856","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154526","6.2083","0.0002","12.6788","0.0005","21.052","0.0009","90","","91.476","0.003","90","","1656.53","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Coe, Samuel; Pereira, Nicole; Geden, Joanna V.; Clarkson, Guy J.; Fox, David J.; Napier, Richard M.; Neve, Paul; Shipman, Michael","Ring closing metathesis reactions of α-methylene-β-lactams: application to the synthesis of a simplified phyllostictine analogue with herbicidal activity.","Organic & biomolecular chemistry","2015","13","28","7655","7663","10.1039/c5ob00890e","","","0.71073","MoKα","","0.1318","0.0781","","","0.1221","0.1385","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154527","8.744","0.0003","10.4501","0.0004","20.1688","0.0006","100.027","0.003","98.395","0.003","104.657","0.003","1720.44","0.11","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H50 N2 O6 -","- C38 H50 N2 O6 -","- C76 H100 N4 O12 -","2","1","","Coe, Samuel; Pereira, Nicole; Geden, Joanna V.; Clarkson, Guy J.; Fox, David J.; Napier, Richard M.; Neve, Paul; Shipman, Michael","Ring closing metathesis reactions of α-methylene-β-lactams: application to the synthesis of a simplified phyllostictine analogue with herbicidal activity.","Organic & biomolecular chemistry","2015","13","28","7655","7663","10.1039/c5ob00890e","","","1.5418","CuKα","","0.0451","0.0417","","","0.1187","0.1229","","","","","","1.042","","","","has coordinates","143755","2020-10-21","18:00:00",""
"7154528","7.071","0.003","30.185","0.011","12.789","0.005","90","","93.497","0.006","90","","2724.6","1.9","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-phenylpyridine derived five-membered manganacycle","","- C15 H8 Mn N O4 -","- C15 H8 Mn N O4 -","- C120 H64 Mn8 N8 O32 -","8","2","","Geng, Xiaoyu; Wang, Congyang","Rhenium-catalyzed C-H aminocarbonylation of azobenzenes with isocyanates.","Organic & biomolecular chemistry","2015","13","28","7619","7623","10.1039/c5ob01121c","","","0.71073","MoKα","","0.0666","0.0557","","","0.1381","0.145","","","","","","1.112","","","","has coordinates","143756","2020-10-21","18:00:00",""
"7154529","7.77818","0.00014","13.158","0.0003","16.9759","0.0003","90","","90","","90","","1737.4","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bypro179a","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","1","","Ishida, Hiroaki; Kimura, Shinya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","The first asymmetric total synthesis of lycoposerramine-R.","Organic & biomolecular chemistry","2015","13","28","7762","7771","10.1039/c5ob00827a","","","1.54187","CuKα","","","0.034","","","","0.0671","","","","","","1.084","","","","has coordinates","143759","2020-10-21","18:00:00",""
"7154530","7.63463","0.00014","11.4385","0.0002","19.919","0.0004","90","","90","","90","","1739.5","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","179","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","1","","Ishida, Hiroaki; Kimura, Shinya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","The first asymmetric total synthesis of lycoposerramine-R.","Organic & biomolecular chemistry","2015","13","28","7762","7771","10.1039/c5ob00827a","","","1.54187","CuKα","","","0.0455","","","","0.0952","","","","","","1.008","","","","has coordinates","143759","2020-10-21","18:00:00",""
"7154531","11.917","0.003","15.959","0.004","25.657","0.005","72.399","0.015","76.618","0.015","71.646","0.012","4364.2","1.8","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 Br2 O2 Si2 -","- C46 H42 Br2 O2 Si2 -","- C184 H168 Br8 O8 Si8 -","4","2","","Li, Xiao-Jun; Li, Meng; Lu, Hai-Yan; Chen, Chuan-Feng","A dinaphtho[8,1,2-cde:2',1',8'-uva]pentacene derivative and analogues: synthesis, structures, photophysical and electrochemical properties.","Organic & biomolecular chemistry","2015","13","28","7628","7632","10.1039/c5ob01008j","","","0.71073","MoKα","","0.0906","0.0741","","","0.1773","0.1898","","","","","","1.087","","","","has coordinates","143754","2020-10-21","18:00:00",""
"7154532","11.361","0.005","12.402","0.005","15.056","0.005","72.031","0.018","82.67","0.02","89.49","0.03","2000.4","1.4","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H44 O3 Si2 -","- C49 H44 O3 Si2 -","- C98 H88 O6 Si4 -","2","1","","Li, Xiao-Jun; Li, Meng; Lu, Hai-Yan; Chen, Chuan-Feng","A dinaphtho[8,1,2-cde:2',1',8'-uva]pentacene derivative and analogues: synthesis, structures, photophysical and electrochemical properties.","Organic & biomolecular chemistry","2015","13","28","7628","7632","10.1039/c5ob01008j","","","0.71073","MoKα","","0.148","0.1175","","","0.3062","0.3362","","","","","","1.114","","","","has coordinates","143754","2020-10-21","18:00:00",""
"7154533","8.6074","0.0005","9.9108","0.0005","15.7203","0.0009","80.998","0.003","89.343","0.003","78.842","0.003","1299.24","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N4 O2 -","- C32 H28 N4 O2 -","- C64 H56 N8 O4 -","2","1","","Sun, Yan-Hua; Xiong, Yu; Peng, Chu-Qin; Li, Wu; Xiao, Jun-An; Yang, Hua","Highly stereoselective construction of novel dispirooxindole-imidazolidines via self-1,3-dipolar cyclization of ketimines.","Organic & biomolecular chemistry","2015","13","29","7907","7910","10.1039/c5ob00954e","","","0.71073","MoKα","","0.0586","0.0482","","","0.1324","0.1422","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154534","9.2098","0.0001","8.357","0.0001","14.8849","0.0002","90","","105.378","0.001","90","","1104.62","0.02","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 -","- C28 H28 N2 -","- C56 H56 N4 -","2","1","","Gong, Yu-Xin; Wu, Qiong; Zhang, Hong-Hao; Zhu, Qiu-Ning; Shi, Feng","Enantioselective construction of a 2,2'-bisindolylmethane scaffold via catalytic asymmetric reactions of 2-indolylmethanols with 3-alkylindoles.","Organic & biomolecular chemistry","2015","13","29","7993","8000","10.1039/c5ob00815h","","","1.54178","CuKα","","0.0446","0.044","","","0.1186","0.1193","","","","","","1.049","","","","has coordinates","153276","2020-10-21","18:00:00",""
"7154535","6.6012","0.0004","8.1654","0.0006","19.8307","0.0013","84.197","0.005","84.853","0.005","85.592","0.005","1056.66","0.12","190","2","190","2","","","","","","","fungus Chaunopycnis sp.","4","P 1","P 1","1","","chaunolidine C","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C44 H58 N2 O10 -","2","2","","Shang, Zhuo; Li, Li; Espósito, Breno P; Salim, Angela A.; Khalil, Zeinab G.; Quezada, Michelle; Bernhardt, Paul V.; Capon, Robert J.","New PKS-NRPS tetramic acids and pyridinone from an Australian marine-derived fungus, Chaunopycnis sp.","Organic & biomolecular chemistry","2015","13","28","7795","7802","10.1039/c5ob01058f","","x-ray","1.54184","CuKα","","0.092","0.0658","","","0.1664","0.1858","","","","","","1.031","","","","has coordinates","143758","2020-10-21","18:00:00",""
"7154536","10.554","0.002","12.782","0.003","12.959","0.003","79.295","0.004","67.9","0.004","76.462","0.004","1565.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 O3 P2 -","- C34 H26 O3 P2 -","- C68 H52 O6 P4 -","2","1","","Hu, Gaobo; Zhang, Yun; Su, Jue; Li, Zezhou; Gao, Yuxing; Zhao, Yufen","Ag-mediated cascade decarboxylative coupling and annulation: a convenient route to 2-phosphinobenzo[b]phosphole oxides.","Organic & biomolecular chemistry","2015","13","30","8221","8231","10.1039/c5ob00959f","","","0.71073","MoKα","","0.0576","0.0519","","","0.1347","0.1387","","","","","","1.084","","","","has coordinates","153265","2020-10-21","18:00:00",""
"7154537","9.8463","0.0002","9.1987","0.0002","18.7908","0.0005","90","","92.473","0.001","90","","1700.36","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O5 S Si -","- C15 H17 N O5 S Si -","- C60 H68 N4 O20 S4 Si4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0402","0.0358","","","0.0977","0.1011","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154538","13.5825","0.0003","10.5322","0.0002","12.858","0.0003","90","","101.968","0.002","90","","1799.4","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O7 S Si -","- C15 H16 N2 O7 S Si -","- C60 H64 N8 O28 S4 Si4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0437","0.0367","","","0.0961","0.1016","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154539","5.3555","0.0006","12.807","0.0014","16.0563","0.0015","90","","96.773","0.008","90","","1093.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 F3 N O5 S -","- C8 H6 F3 N O5 S -","- C32 H24 F12 N4 O20 S4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.5418","CuKα","","0.0968","0.0703","","","0.1827","0.2202","","","","","","1.036","","","","has coordinates","153279","2020-10-21","18:00:00",""
"7154540","20.5236","0.0009","7.6948","0.0003","18.8253","0.0009","90","","96.529","0.002","90","","2953.7","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C144 H108 N12 O36 -","12","3","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0465","0.0441","","","0.1187","0.1211","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154541","13.2148","0.0002","10.9938","0.0002","12.0527","0.0002","90","","111.879","0.001","90","","1624.91","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O5 S Si -","- C14 H16 N2 O5 S Si -","- C56 H64 N8 O20 S4 Si4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0313","0.0289","","","0.0791","0.0807","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154542","15.6137","0.0004","7.7484","0.0002","21.2252","0.0005","90","","110.192","0.001","90","","2410.03","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O5 -","- C13 H10 N2 O5 -","- C104 H80 N16 O40 -","8","2","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0475","0.0448","","","0.1116","0.1131","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154543","7.4947","0.0011","13.0618","0.0018","21.098","0.003","90","","90","","90","","2065.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-methyl-3-nitropyrazolo[1,5-a]quinoline","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C96 H72 N24 O16 -","8","1","","Obulesu, Owk; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper (Cu) catalysed N-arylation-vinylogous nitroaldol condensation of 3,5-disubstituted 4-nitropyrazoles.","Organic & biomolecular chemistry","2015","13","30","8232","8240","10.1039/c5ob01011j","","","0.71073","MoKα","","0.0876","0.084","","","0.1622","0.1637","","","","","","1.399","","","","has coordinates","153266","2020-10-21","18:00:00",""
"7154544","7.1508","0.001","9.6154","0.0014","10.0654","0.0014","82.965","0.002","70.019","0.002","87.23","0.002","645.5","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,10-dimethyl-3-nitro-10H-pyrazolo[1',5':1,6]pyrido[2,3-b]indole","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C30 H24 N8 O4 -","2","1","","Obulesu, Owk; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper (Cu) catalysed N-arylation-vinylogous nitroaldol condensation of 3,5-disubstituted 4-nitropyrazoles.","Organic & biomolecular chemistry","2015","13","30","8232","8240","10.1039/c5ob01011j","","","0.71073","MoKα","","0.0666","0.0568","","","0.1339","0.1411","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154545","8.7342","0.0002","12.9336","0.0003","27.4037","0.0005","90","","90","","90","","3095.65","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AntValA2DNS","","","- C34 H38 N4 O3 S -","- C34 H38 N4 O3 S -","- C136 H152 N16 O12 S4 -","4","1","","Saura, A. Vanessa; Marín, María J; Burguete, M. Isabel; Russell, David A.; Galindo, Francisco; Luis, Santiago V.","The synthesis of new fluorescent bichromophoric compounds as ratiometric pH probes for intracellular measurements.","Organic & biomolecular chemistry","2015","13","28","7736","7749","10.1039/c5ob00704f","","x-ray","1.54184","CuKα","","0.0321","0.0312","","","0.0838","0.0847","","","","","","1.039","","","","has coordinates","143762","2020-10-21","18:00:00",""
"7154546","8.42","0.0012","10.1497","0.0007","11.203","0.0017","66.531","0.011","88.054","0.012","88.057","0.01","877.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","dimethyl 4-((2-bromophenyl)amino)quinoline-2,3-dicarboxylate","","- C19 H16 Br N2 O4 -","- C19 H16 Br N2 O4 -","- C38 H32 Br2 N4 O8 -","2","1","","Vidyacharan, Shinde; Sagar, A.; Sharada, Duddu S.","A new route for the synthesis of highly substituted 4-aminoquinoline drug like molecules via aza hetero-Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","28","7614","7618","10.1039/c5ob01023c","","","0.71073","MoKα","","0.0717","0.0453","","","0.1068","0.1224","","","","","","1.032","","","","has coordinates","143761","2020-10-21","18:00:00",""
"7154547","19.3579","0.0011","10.6509","0.0006","16.8297","0.0014","90","","94.958","0.007","90","","3456.9","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-aminoquinoline","dimethyl 4-(benzylamino)quinoline-2,3-dicarboxylate","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C160 H144 N16 O32 -","8","1","","Vidyacharan, Shinde; Sagar, A.; Sharada, Duddu S.","A new route for the synthesis of highly substituted 4-aminoquinoline drug like molecules via aza hetero-Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","28","7614","7618","10.1039/c5ob01023c","","","1.5418","CuKα","","0.0888","0.0564","","","0.1409","0.1702","","","","","","0.934","","","","has coordinates","143761","2020-10-21","18:00:00",""
"7154548","17.4761","0.0005","8.0976","0.0002","22.1564","0.0007","90","","111.715","0.001","90","","2912.95","0.14","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 B F2 N5 O8 S -","- C31 H24 B F2 N5 O8 S -","- C124 H96 B4 F8 N20 O32 S4 -","4","1","","Kand, Dnyaneshwar; Saha, Tanmoy; Lahiri, Mayurika; Talukdar, Pinaki","Lysosome targeting fluorescence probe for imaging intracellular thiols.","Organic & biomolecular chemistry","2015","13","30","8163","8168","10.1039/c5ob00889a","","","1.54178","CuKα","","0.0448","0.0434","","","0.1142","0.1156","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154549","14.8291","0.0004","12.6719","0.0003","21.3493","0.0006","90","","90","","90","","4011.81","0.18","296","2","296","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C19 H17 B Br Cl2 F2 N3 O2 -","- C19 H17 B Br F2 N3 O2 -","- C152 H136 B8 Br8 F16 N24 O16 -","8","1","","Kand, Dnyaneshwar; Saha, Tanmoy; Lahiri, Mayurika; Talukdar, Pinaki","Lysosome targeting fluorescence probe for imaging intracellular thiols.","Organic & biomolecular chemistry","2015","13","30","8163","8168","10.1039/c5ob00889a","","","1.54178","CuKα","","0.2562","0.2522","","","0.6214","0.6287","","","","","","6.502","","","","has coordinates","153261","2020-10-21","18:00:00",""
"7154550","8.1907","0.0016","9.4346","0.0019","32.024","0.006","90","","93.32","0.03","90","","2470.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N4 O2 -","- C30 H26 N4 O2 -","- C120 H104 N16 O8 -","4","1","","Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza","One-pot synthesis of spiropyrroloquinoline-isoindolinone and their aza-analogs via the Ugi-4CR/metal-free intramolecular bis-annulation process.","Organic & biomolecular chemistry","2015","13","30","8211","8220","10.1039/c5ob01095k","","","0.71073","MoKα","","0.114","0.0756","","","0.146","0.1663","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154551","11.299","0.002","11.724","0.002","14.051","0.003","104.1","0.03","103.64","0.03","108.92","0.03","1604","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N4 O3 S -","- C36 H36 N4 O3 S -","- C72 H72 N8 O6 S2 -","2","1","","Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza","One-pot synthesis of spiropyrroloquinoline-isoindolinone and their aza-analogs via the Ugi-4CR/metal-free intramolecular bis-annulation process.","Organic & biomolecular chemistry","2015","13","30","8211","8220","10.1039/c5ob01095k","","","0.71073","MoKα","","0.064","0.0554","","","0.1522","0.1607","","","","","","1.051","","","","has coordinates","153263","2020-10-21","18:00:00",""
"7154552","10.1192","0.0002","11.3017","0.0002","25.1913","0.0005","90","","97.8403","0.0009","90","","2854.05","0.09","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5,7-Bis(4'-propylbiphenyl-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methanol","","- C37 H36 O3 S -","- C36.154 H34.308 O2.718 S -","- C144.616 H137.232 O10.872 S4 -","4","1","","Liu, Ching-Yuan; Chong, Hui; Lin, Hsing-An; Yamashita, Yoshiro; Zhang, Bin; Huang, Kuo-Wei; Hashizume, Daizuke; Yu, Hsiao-Hua","Palladium-catalyzed direct C-H arylations of dioxythiophenes bearing reactive functional groups: a step-economical approach for functional π-conjugated oligoarenes.","Organic & biomolecular chemistry","2015","13","31","8505","8511","10.1039/c5ob00705d","","","0.71073","MoKα","","0.0874","0.0522","","","0.1261","0.1429","","","","","","1.036","","","","has coordinates,has disorder","153272","2020-10-21","18:00:00",""
"7154553","11.9644","0.0003","12.3239","0.0004","13.9643","0.0005","86.2826","0.001","65.3443","0.0012","88.544","0.003","1867.35","0.1","90","","90","","","","","","","","","4","P -1","-P 1","2","","1,1'-(4,4'-(2-(Hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-diyl)bis(4,1-phenylene))diethanone","","- C23 H20 O5 S -","- C22.6625 H19.325 O4.7795 S -","- C90.65 H77.3 O19.118 S4 -","4","2","","Liu, Ching-Yuan; Chong, Hui; Lin, Hsing-An; Yamashita, Yoshiro; Zhang, Bin; Huang, Kuo-Wei; Hashizume, Daizuke; Yu, Hsiao-Hua","Palladium-catalyzed direct C-H arylations of dioxythiophenes bearing reactive functional groups: a step-economical approach for functional π-conjugated oligoarenes.","Organic & biomolecular chemistry","2015","13","31","8505","8511","10.1039/c5ob00705d","","","0.71073","MoKα","","0.0955","0.0585","","","0.1405","0.1575","","","","","","1.022","","","","has coordinates,has disorder","153272","2020-10-21","18:00:00",""
"7154554","10.864","0.002","10.911","0.002","30.296","0.006","86.07","0.03","88.87","0.03","62.68","0.03","3182.8","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-((5,7-Bis(4'-propylbiphenyl-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methoxy)acetic acid","","- C39 H38 O5 S -","- C39 H38 O5 S -","- C156 H152 O20 S4 -","4","2","","Liu, Ching-Yuan; Chong, Hui; Lin, Hsing-An; Yamashita, Yoshiro; Zhang, Bin; Huang, Kuo-Wei; Hashizume, Daizuke; Yu, Hsiao-Hua","Palladium-catalyzed direct C-H arylations of dioxythiophenes bearing reactive functional groups: a step-economical approach for functional π-conjugated oligoarenes.","Organic & biomolecular chemistry","2015","13","31","8505","8511","10.1039/c5ob00705d","","","0.71073","MoKα","","0.1368","0.1028","","","0.2286","0.2503","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154555","7.8734","0.0002","17.4148","0.0005","14.5347","0.0004","90","","91.013","0.003","90","","1992.59","0.09","125","30","125","30","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H38 N O15 -","- C43 H38 N4 O15 -","- C86 H76 N8 O30 -","2","1","","Salamone, Stéphane; Clement, Lise L.; Viuff, Agnete H.; Andersen, Ole Juul; Jensen, Frank; Jensen, Henrik H.","Synthesis and evaluation of galacto-noeurostegine and its 2-deoxy analogue as glycosidase inhibitors.","Organic & biomolecular chemistry","2015","13","29","7979","7992","10.1039/c5ob01062d","","","0.71073","MoKα","","0.0554","0.0454","","","0.1004","0.1087","","","","","","1.131","","","","has coordinates","204143","2020-10-21","18:00:00",""
"7154556","9.3233","0.0006","10.2871","0.0008","26.846","0.002","90","","90","","90","","2574.8","0.3","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 O5 -","- C29 H34 O5 -","- C116 H136 O20 -","4","1","","Salamone, Stéphane; Clement, Lise L.; Viuff, Agnete H.; Andersen, Ole Juul; Jensen, Frank; Jensen, Henrik H.","Synthesis and evaluation of galacto-noeurostegine and its 2-deoxy analogue as glycosidase inhibitors.","Organic & biomolecular chemistry","2015","13","29","7979","7992","10.1039/c5ob01062d","","x-ray","0.71073","MoKα","","0.0955","0.0492","","","0.1052","0.1273","","","","","","1.028","","","","has coordinates","153280","2020-10-21","18:00:00",""
"7154557","7.4496","0.0001","11.1966","0.0001","26.6185","0.0002","90","","90","","90","","2220.25","0.04","213","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5R,6S)-4-((tert-Butyldimethylsilyl)oxy)-6-((S,E)-4-iodobut-3-en-2-yl)-3-methoxy-5-methyltetrahydro-2H-pyran-2-one","","- C17 H16 I O4 Si -","- C17 H16 I O4 Si -","- C68 H64 I4 O16 Si4 -","4","1","","Lu, Hai-Hua; Hinkelmann, Bettina; Tautz, Thomas; Li, Jun; Sasse, Florenz; Franke, Raimo; Kalesse, Markus","Paleo-soraphens: chemical total syntheses and biological studies.","Organic & biomolecular chemistry","2015","13","29","8029","8036","10.1039/c5ob01249j","","","1.54187","CuKα","","0.0636","0.0524","","","0.1471","0.154","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154558","7.73264","0.00017","8.92045","0.00017","20.1079","0.0004","90","","90","","90","","1387.02","0.05","173","0.3","173","0.3","","","","","","","Curcuma phaeocaulis Valeton","3","P 21 21 21","P 2ac 2ab","19","(1S, 4S, 6R, 10S)-1-hydroxysalvial-7(11)-ene-5,8-dione","phasalvione","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Ma, Jiang-Hao; Zhao, Feng; Wang, Ying; Liu, Yue; Gao, Su-Yu; Ding, Li-Qin; Chen, Li-Xia; Qiu, Feng","Natural nitric oxide (NO) inhibitors from the rhizomes of Curcuma phaeocaulis.","Organic & biomolecular chemistry","2015","13","30","8349","8358","10.1039/c5ob00964b","","x-ray","1.54184","CuKα","","0.0296","0.029","","","0.0775","0.0781","","","","","","1.046","","","","has coordinates","153262","2020-10-21","18:00:00",""
"7154559","16.4668","0.001","19.1843","0.0012","21.8267","0.0013","90","","110.312","0.002","90","","6466.4","0.7","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Cl4 N26 O23 Zn -","- C42 H56 Cl4 N26 O17 Zn -","- C168 H224 Cl16 N104 O68 Zn4 -","4","1","","Zhang, De-Qing; Lin, Rui-Lian; Sun, Wen-Qi; Tao, Zhu; Zhu, Qian-Jian; Liu, Jing-Xin","Mixed behavior of p-phenylenediaminium guest binding with the inverted cucurbit[6]uril host.","Organic & biomolecular chemistry","2015","13","30","8330","8334","10.1039/c5ob01074h","","","0.71073","MoKα","","0.0953","0.0751","","","0.2273","0.2428","","","","","","1.02","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7154560","23.4746","0.0018","10.5039","0.0008","15.455","0.002","90","","129.108","0.002","90","","2957","0.5","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C42 H58 Cl4 N26 O18 Zn -","- C42 H44 Cl4 N26 O12 Zn -","- C84 H88 Cl8 N52 O24 Zn2 -","2","0.25","","Zhang, De-Qing; Lin, Rui-Lian; Sun, Wen-Qi; Tao, Zhu; Zhu, Qian-Jian; Liu, Jing-Xin","Mixed behavior of p-phenylenediaminium guest binding with the inverted cucurbit[6]uril host.","Organic & biomolecular chemistry","2015","13","30","8330","8334","10.1039/c5ob01074h","","","0.71073","MoKα","","0.1063","0.093","","","0.2908","0.3129","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154561","6.8274","0.0002","8.3498","0.0002","14.5138","0.0004","90.1471","0.001","101.323","0.001","107.632","0.0009","771.47","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Br N2 O -","- C17 H15 Br N2 O -","- C34 H30 Br2 N4 O2 -","2","1","","Manna, Susanta Kumar; Mandal, Arabinda; Mondal, Suresh Kumar; Adak, Arup Kr; Jana, Akash; Das, Somnath; Chattopadhyay, Sourav; Roy, Somenath; Ghorai, Shyamal Kr; Samanta, Shubhankar; Hossain, Maidul; Baidya, Mahiuddin","Pyrido[1,2-a]pyrimidinium ions - a novel bridgehead nitrogen heterocycles: synthesis, characterisation, and elucidation of DNA binding and cell imaging properties.","Organic & biomolecular chemistry","2015","13","29","8037","8047","10.1039/c5ob01082a","","","0.71073","MoKα","","0.0406","0.0394","","","0.1194","0.1211","","","","","","1.135","","","","has coordinates","153275","2020-10-21","18:00:00",""
"7154562","7.4871","0.0008","12.1721","0.0012","16.4565","0.0017","90","","94.653","0.002","90","","1494.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Methyl-N-(8-dimethylaminonaphth-1-yl)aminoacetic acid hydrobromide","","","- C15 H19 Br N2 O2 -","- C15 H19 Br N2 O2 -","- C60 H76 Br4 N8 O8 -","4","1","","Ozeryanskii, Valery A.; Gorbacheva, Anastasia Yu; Pozharskii, Alexander F.; Vlasenko, Marina P.; Tereznikov, Alexander Yu; Chernov'yants, Margarita S.","The first proton sponge-based amino acids: synthesis, acid-base properties and some reactivity.","Organic & biomolecular chemistry","2015","13","31","8524","8532","10.1039/c5ob01065a","","","0.71073","MoKα","","0.058","0.0448","","","0.1157","0.1213","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154563","7.0938","0.0003","11.5502","0.0005","18.1965","0.0009","90","","90","","90","","1490.93","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,1,3-Trimethyl-2,3-dihydro-1H-perimidin-1-ium bromide","","","- C14 H21 Br N2 O2 -","- C14 H21 Br N2 O2 -","- C56 H84 Br4 N8 O8 -","4","1","","Ozeryanskii, Valery A.; Gorbacheva, Anastasia Yu; Pozharskii, Alexander F.; Vlasenko, Marina P.; Tereznikov, Alexander Yu; Chernov'yants, Margarita S.","The first proton sponge-based amino acids: synthesis, acid-base properties and some reactivity.","Organic & biomolecular chemistry","2015","13","31","8524","8532","10.1039/c5ob01065a","","","0.71073","MoKα","","0.0275","0.0228","","","0.046","0.0476","","","","","","1.015","","","","has coordinates","153270","2020-10-21","18:00:00",""
"7154564","10.919","0.002","21.054","","21.054","0.004","90","","90","","90","","4840.1","1.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H24 N2 O4 -","- C27 H24 N2 O4 -","- C216 H192 N16 O32 -","8","2","","Huang, Zhimei; Hu, Junhao; Gong, Yuefa","Formation and aromatization of strained bicyclic pyrazolidines via tandem reaction of alkyl 2-aroyl-1-chlorocyclopropanecarboxylates with acylhydrazones.","Organic & biomolecular chemistry","2015","13","31","8561","8566","10.1039/c5ob01199j","","","0.71073","MoKα","","0.0723","0.0392","","","0.0861","0.1016","","","","","","1.011","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154565","4.4366","0.0004","7.095","0.0007","14.0927","0.0014","91.198","0.003","95.948","0.002","97.185","0.002","437.49","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 S6 -","- C14 H18 N2 S6 -","- C14 H18 N2 S6 -","1","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","","0.71073","MoKα","","0.0247","0.0218","","","0.0673","0.084","","","","","","1.269","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154566","8.369","0.003","10.336","0.002","21.421","0.007","90","","90","","90","","1853","1","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H10 N2 S6 -","- C18 H10 N2 S6 -","- C72 H40 N8 S24 -","4","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0847","0.0614","","","0.1344","0.1443","","","","","","1.076","","","","has coordinates","153274","2020-10-21","18:00:00",""
"7154567","6.8237","0.0005","8.5474","0.0007","22.3448","0.0015","90","","90","","90","","1303.26","0.17","150","2","150","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C10 H10 N2 O2 S4 -","- C10 H10 N2 O2 S4 -","- C40 H40 N8 O8 S16 -","4","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0556","0.0328","","","0.0721","0.0798","","","","","","1.037","","","","has coordinates","153274","2020-10-21","18:00:00",""
"7154568","9.8293","0.0005","10.139","0.0005","15.9153","0.0007","90","","90","","90","","1586.11","0.13","150","2","150","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N S4 Ti -","- C15 H15 N S4 Ti -","- C60 H60 N4 S16 Ti4 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0271","0.0259","","","0.0663","0.0676","","","","","","0.722","","","","has coordinates","153274","2020-10-21","18:00:00",""
"7154569","10.4066","0.0003","7.3334","0.0002","12.2408","0.0004","90","","104.422","0.002","90","","904.73","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H5 N O S4 -","- C6 H5 N O S4 -","- C24 H20 N4 O4 S16 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0282","0.0256","","","0.0616","0.0627","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154570","9.5493","0.0005","8.4524","0.0005","14.3009","0.0008","90","","104.898","0.003","90","","1115.49","0.11","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 N O S4 -","- C10 H5 N O S4 -","- C40 H20 N4 O4 S16 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.037","0.0315","","","0.075","0.0782","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154571","8.5086","0.0016","9.106","0.003","11.589","0.002","90","","110.442","0.008","90","","841.4","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N O2 S3 -","- C6 H5 N O2 S3 -","- C24 H20 N4 O8 S12 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0384","0.033","","","0.0787","0.0816","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154572","7.3417","0.001","10.0649","0.0014","10.3982","0.0014","75.006","0.004","89.015","0.004","78.726","0.004","727.42","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F4 N O -","- C17 H13 F4 N O -","- C34 H26 F8 N2 O2 -","2","1","","Jana, Sadhan; Ashokan, Athira; Kumar, Shailesh; Verma, Ajay; Kumar, Sangit","Copper-catalyzed trifluoromethylation of alkenes: synthesis of trifluoromethylated benzoxazines.","Organic & biomolecular chemistry","2015","13","31","8411","8415","10.1039/c5ob01196e","","x-ray","0.71073","MoKα","","0.0819","0.0481","","","0.1194","0.1373","","","","","","1.033","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7154573","12.8017","0.0008","9.6398","0.0006","15.4464","0.001","90","","105.362","0.004","90","","1838.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F3 N O -","- C22 H16 F3 N O -","- C88 H64 F12 N4 O4 -","4","1","","Jana, Sadhan; Ashokan, Athira; Kumar, Shailesh; Verma, Ajay; Kumar, Sangit","Copper-catalyzed trifluoromethylation of alkenes: synthesis of trifluoromethylated benzoxazines.","Organic & biomolecular chemistry","2015","13","31","8411","8415","10.1039/c5ob01196e","","x-ray","0.71073","MoKα","","0.1246","0.0563","","","0.1264","0.1525","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154574","16.972","0.003","11.3201","0.0016","18.722","0.003","90","","98.676","0.005","90","","3555.8","1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 F3 N O -","- C22 H16 F3 N O -","- C176 H128 F24 N8 O8 -","8","2","","Jana, Sadhan; Ashokan, Athira; Kumar, Shailesh; Verma, Ajay; Kumar, Sangit","Copper-catalyzed trifluoromethylation of alkenes: synthesis of trifluoromethylated benzoxazines.","Organic & biomolecular chemistry","2015","13","31","8411","8415","10.1039/c5ob01196e","","x-ray","0.71073","MoKα","","0.1296","0.0842","","","0.2066","0.2331","","","","","","1.149","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154575","12.1151","0.0006","11.4278","0.0005","18.5077","0.0009","90","","93.294","0.002","90","","2558.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","OBR-C15H18N3O6P","","- C17 H20 Cl6 N3 O6 P -","- C17 H20 Cl6 N3 O6 P -","- C68 H80 Cl24 N12 O24 P4 -","4","1","","Shelke, Anil M.; Suryavanshi, Gurunath","An efficient one pot regioselective synthesis of a 3,3'-spiro-phosphonylpyrazole-oxindole framework via base mediated [1,3]-dipolar cycloaddition reaction of the Bestmann-Ohira reagent with methyleneindolinones.","Organic & biomolecular chemistry","2015","13","32","8669","8675","10.1039/c5ob01020a","","","0.71073","MoKα","","0.0999","0.0776","","","0.1672","0.1794","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154576","9.0122","0.0004","10.2941","0.0006","10.6266","0.0006","75.079","0.005","73.655","0.004","75.04","0.005","895.6","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 O4 S -","- C22 H20 O4 S -","- C44 H40 O8 S2 -","2","1","","Barrett, Matthew J.; Davies, Paul W.; Grainger, Richard S.","Regioselective functionalisation of dibenzothiophenes through gold-catalysed intermolecular alkyne oxyarylation.","Organic & biomolecular chemistry","2015","13","32","8676","8686","10.1039/c5ob01241d","","","1.54184","CuKα","","0.0309","0.029","","","0.0722","0.0733","","","","","","1.046","","","","has coordinates","153281","2020-10-21","18:00:00",""
"7154577","11.8946","0.0017","9.771","0.0006","14.6459","0.0014","90","","94.988","0.009","90","","1695.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 F3 -","- C22 H17 F3 -","- C88 H68 F12 -","4","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","0.71073","MoKα","","0.1158","0.0605","","","0.0984","0.1186","","","","","","0.981","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154578","9.335","0.0004","10.6357","0.0005","11.4303","0.0005","73.153","0.004","87.926","0.004","76.728","0.004","1056.57","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 Cl F3 -","- C26 H24 Cl F3 -","- C52 H48 Cl2 F6 -","2","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.54184","CuKα","","0.0428","0.0396","","","0.1067","0.1099","","","","","","1.046","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154579","9.177","0.0004","10.3545","0.0006","11.2833","0.0005","76.862","0.004","87.228","0.003","75.716","0.004","1011.8","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H25 F3 -","- C26 H25 F3 -","- C52 H50 F6 -","2","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","0.7107","MoKα","","0.0572","0.0435","","","0.1002","0.1075","","","","","","1.026","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154580","10.5842","0.0004","9.2772","0.0003","17.8208","0.0006","90","","90.018","0.003","90","","1749.86","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl F3 -","- C22 H16 Cl F3 -","- C88 H64 Cl4 F12 -","4","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.54184","CuKα","","0.0442","0.0356","","","0.0894","0.0983","","","","","","1.029","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154581","8.9801","0.0003","11.8644","0.0005","12.6622","0.0006","64.998","0.004","71.043","0.004","80.66","0.003","1155.85","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl F3 O4 -","- C26 H24 Cl F3 O4 -","- C52 H48 Cl2 F6 O8 -","2","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.54184","CuKα","","0.053","0.0424","","","0.1067","0.1106","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154582","14.1449","0.0003","7.958","0.00016","16.5726","0.0004","90","","99.274","0.002","90","","1841.11","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F3 O Si -","- C19 H21 F3 O Si -","- C76 H84 F12 O4 Si4 -","4","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.5418","CuKα","","0.0363","0.0327","","","0.0887","0.0933","","","","","","1.041","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154583","12.6814","0.0015","5.7264","0.0006","27.718","0.003","90","","99.174","0.005","90","","1987.1","0.4","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","2","","Veits, Gesine K.; Wenz, Donald R.; Palmer, Leoni I.; St Amant, André H; Hein, Jason E.; Read de Alaniz, Javier","Cascade rearrangement of furylcarbinols with hydroxylamines: practical access to densely functionalized cyclopentane derivatives.","Organic & biomolecular chemistry","2015","13","31","8465","8469","10.1039/c5ob00944h","","","0.71073","MoKα","","0.1211","0.0649","","","0.1268","0.1506","","","","","","1.001","","","","has coordinates","153268","2020-10-21","18:00:00",""
"7154584","15.3927","0.0007","11.141","0.0005","18.1915","0.0009","90","","104.29","0.0016","90","","3023.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Br2 S2 -","- C34 H32 Br2 S2 -","- C136 H128 Br8 S8 -","4","1","","Marin-Luna, Marta; Vidal, Angel; Bautista, Delia; Orenes, Raul-Angel; Alajarin, Mateo","Acid-promoted cycloisomerizations of phenylallenes bearing acetalic functions at the ortho position: a stereocontrolled entry to indeno-fused dioxepanes, dioxocanes and thioanalogues.","Organic & biomolecular chemistry","2015","13","31","8420","8424","10.1039/c5ob00897b","","","0.71073","MoKα","","0.0381","0.0292","","","0.0718","0.0758","","","","","","1.022","","","","has coordinates","153271","2020-10-21","18:00:00",""
"7154585","8.3105","0.0007","9.161","0.0008","17.2363","0.0015","90","","91.798","0.002","90","","1311.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Marin-Luna, Marta; Vidal, Angel; Bautista, Delia; Orenes, Raul-Angel; Alajarin, Mateo","Acid-promoted cycloisomerizations of phenylallenes bearing acetalic functions at the ortho position: a stereocontrolled entry to indeno-fused dioxepanes, dioxocanes and thioanalogues.","Organic & biomolecular chemistry","2015","13","31","8420","8424","10.1039/c5ob00897b","","","0.71073","MoKα","","0.0487","0.0453","","","0.1133","0.116","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154586","9.016","0.0009","12.6459","0.0013","12.1727","0.0012","90","","96.21","0.002","90","","1379.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Marin-Luna, Marta; Vidal, Angel; Bautista, Delia; Orenes, Raul-Angel; Alajarin, Mateo","Acid-promoted cycloisomerizations of phenylallenes bearing acetalic functions at the ortho position: a stereocontrolled entry to indeno-fused dioxepanes, dioxocanes and thioanalogues.","Organic & biomolecular chemistry","2015","13","31","8420","8424","10.1039/c5ob00897b","","","0.71073","MoKα","","0.0518","0.0451","","","0.1184","0.1235","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154587","8.629","0.002","10.44","0.003","12.379","0.004","80.505","0.011","76.238","0.011","65.983","0.009","986.5","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C44 H36 N4 O16 -","4","2","","Dai, Jie; Ren, Wenlong; Wang, Haining; Shi, Yian","A facile approach to β-amino acid derivatives via palladium-catalyzed hydrocarboxylation of enimides with formic acid.","Organic & biomolecular chemistry","2015","13","31","8429","8432","10.1039/c5ob01304f","","","0.71073","MoKα","","0.0553","0.0492","","","0.1175","0.1215","","","","","","1.127","","","","has coordinates","153267","2020-10-21","18:00:00",""
"7154588","15.407","0.0007","17.9","0.0009","22.8419","0.0011","95.841","0.001","109.235","0.001","99.182","0.001","5790.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N O5 S2 -","- C33 H28 N O5 S2 -","- C264 H224 N8 O40 S16 -","8","4","","Bounar, Haniya; Liu, Zhenhua; Zhang, Lin; Guan, Xiaoxue; Yang, Zonglian; Liao, Peiqiu; Bi, Xihe; Li, Xingqi","Silver-catalyzed cascade reaction of tosylmethyl isocyanide (TosMIC) with propargylic alcohols to (E)-vinyl sulfones: dual roles of TosMIC.","Organic & biomolecular chemistry","2015","13","32","8723","8728","10.1039/c5ob01129a","","","0.71073","MoKα","","0.1198","0.0711","","","0.1751","0.2115","","","","","","1.01","","","","has coordinates","153284","2020-10-21","18:00:00",""
"7154589","8.788","0.003","17.421","0.006","11.688","0.004","90","","109.885","0.004","90","","1682.7","1","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N-(3,5-dimethylphenyl)-2-(phenyldiazenyl)benzamide","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Geng, Xiaoyu; Wang, Congyang","Rhenium-catalyzed C-H aminocarbonylation of azobenzenes with isocyanates.","Organic & biomolecular chemistry","2015","13","28","7619","7623","10.1039/c5ob01121c","","","0.71073","MoKα","","0.1021","0.08","","","0.1504","0.1615","","","","","","1.24","","","","has coordinates","141633","2020-10-21","18:00:00",""
"7154590","24.909","0.002","9.2315","0.0008","6.9138","0.0006","90","","90","","90","","1589.8","0.2","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Subba Reddy, B. V.; Gopal Reddy, S.; Durgaprasad, M.; Bhadra, Manika Pal; Sridhar, B.","Domino Prins/pinacol reaction for the stereoselective synthesis of spiro[pyran-4,4'-quinoline]-2',3'-dione derivatives.","Organic & biomolecular chemistry","2015","13","32","8729","8733","10.1039/c5ob01077b","","","0.71073","MoKα","","0.0427","0.0404","","","0.1063","0.1087","","","","","","1.04","","","","has coordinates","153283","2020-10-21","18:00:00",""
"7154591","7.6266","0.0008","18.5193","0.0018","10.0793","0.001","90","","108.801","0.005","90","","1347.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Ruthenium-catalyzed cyclization of N-carbamoyl indolines with alkynes: an efficient route to pyrroloquinolinones.","Organic & biomolecular chemistry","2015","13","35","9276","9284","10.1039/c5ob01146a","","","1.54178","CuKα","","0.054","0.0405","","","0.1216","0.1389","","","","","","0.882","","","","has coordinates","155230","2020-10-21","18:00:00",""
"7154592","8.1792","0.0003","8.2361","0.0003","11.9209","0.0004","91.062","0.002","95.422","0.002","119.402","0.002","694.53","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Ruthenium-catalyzed cyclization of N-carbamoyl indolines with alkynes: an efficient route to pyrroloquinolinones.","Organic & biomolecular chemistry","2015","13","35","9276","9284","10.1039/c5ob01146a","","","1.54178","CuKα","","0.0551","0.0445","","","0.1168","0.1311","","","","","","0.639","","","","has coordinates","155230","2020-10-21","18:00:00",""
"7154593","14.356","0.004","8.145","0.002","16.636","0.004","90","","96.488","0.004","90","","1932.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br N3 O -","- C21 H22 Br N3 O -","- C84 H88 Br4 N12 O4 -","4","1","","Itoh, Kennosuke; Kato, Ryo; Kinugawa, Daito; Kamiya, Hideaki; Kudo, Ryuki; Hasegawa, Masayuki; Fujii, Hideaki; Suga, Hiroyuki","Photochemically-induced C-C bond formation between tertiary amines and nitrones.","Organic & biomolecular chemistry","2015","13","33","8919","8924","10.1039/c5ob01277e","","","0.71073","MoKα","","0.0445","0.0303","","","0.0712","0.0748","","","","","","1.204","","","","has coordinates","155241","2020-10-21","18:00:00",""
"7154594","10.8982","0.0005","37.3563","0.0016","17.593","0.0008","90","","99.613","0.002","90","","7061.8","0.5","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 -","- C30 H18 -","- C420 H252 -","14","3.5","","Lamm, Jan-Hendrik; Horstmann, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Zhabanov, Yuriy A.; Tverdova, Natalya V.; Otlyotov, Arseniy A.; Giricheva, Nina I.; Girichev, Georgiy V.","1,8-Bis(phenylethynyl)anthracene - gas and solid phase structures.","Organic & biomolecular chemistry","2015","13","33","8893","8905","10.1039/c5ob01078k","","","1.54178","CuKα","","0.0416","0.0361","","","0.0923","0.0964","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154595","10.3258","0.0009","17.5826","0.0015","13.7351","0.0012","90","","101.789","0.001","90","","2441.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-((p-tolylsulfinyl)amino)-2-(5,6,7-trimethoxy-2-methyl-1H-inden-3-yl)acetate","","- C24 H29 N O6 S -","- C24 H29 N O6 S -","- C96 H116 N4 O24 S4 -","4","1","","Sudhakar, Gangarajula; Reddy, Karla Janardhan; Nanubolu, Jagadesh Babu","Nazarov cyclization of dienylaziridines: synthesis of cyclopentadienyl/hydrinedienyl/indenyl glycines.","Organic & biomolecular chemistry","2015","13","33","8875","8885","10.1039/c5ob01219h","","","0.71073","MoKα","","0.0531","0.0481","","","0.1402","0.1481","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154596","11.1245","0.001","11.5825","0.0011","14.9885","0.0014","90","","107.083","0.003","90","","1846.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 F N2 O3 -","- C24 H15 F N2 O3 -","- C96 H60 F4 N8 O12 -","4","1","","Liao, Fu-Min; Liu, Yun-Lin; Yu, Jin-Sheng; Zhou, Feng; Zhou, Jian","An efficient catalyst-free Mukaiyama-aldol reaction of fluorinated enol silyl ethers with tryptanthrin.","Organic & biomolecular chemistry","2015","13","33","8906","8911","10.1039/c5ob01125f","","","0.71073","MoKα","","0.0844","0.0412","","","0.0819","0.1011","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154597","10.687","0.0004","9.1043","0.0003","21.0968","0.0006","90","","98.623","0.003","90","","2029.47","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(tert-butyl)-1-(4-chlorophenethyl)-5-oxo-2-(pyridin-3-yl)pyrrolidine-2-carboxamide","","- C22 H26 Cl N3 O2 -","- C22 H26 Cl N3 O2 -","- C88 H104 Cl4 N12 O8 -","4","1","","Polindara-García, Luis A; Montesinos-Miguel, Dario; Vazquez, Alfredo","An efficient microwave-assisted synthesis of cotinine and iso-cotinine analogs from an Ugi-4CR approach.","Organic & biomolecular chemistry","2015","13","34","9065","9071","10.1039/c5ob01170a","","x-ray","1.54184","CuKα","","0.0532","0.0409","","","0.1056","0.1276","","","","","","1.115","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154598","13.1515","0.0008","9.4791","0.0004","14.8569","0.0008","90","","90","","90","","1852.13","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(3S*,4aR*,8aS*)-8-hydroxy-2-(4-methoxyphenyl)-8a-methyl-3-phenyl-3,4,4a,5-tetrahydroisoquinoline-1,6(2H,8aH)-dione","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Medvedev, J. J.; Meleshina, M. V.; Panikorovskii, T. L.; Schneider, C.; Nikolaev, V. A.","Domino reactions of diazodicarbonyl compounds with α,β-unsaturated δ-amino esters: a convenient way towards 2-oxopiperidines, dihydropyridinones and isoquinolinediones.","Organic & biomolecular chemistry","2015","13","34","9107","9117","10.1039/c5ob01197c","","","0.7107","MoKα","","0.0518","0.0446","","","0.106","0.1129","","","","","","1.064","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154599","7.9798","0.0013","8.2157","0.0014","11.2639","0.0018","91.83","0.002","96.597","0.003","110.961","0.002","682.9","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 I N2 S -","- C14 H11 I N2 S -","- C28 H22 I2 N4 S2 -","2","1","","Liu, Shan; Xi, Hailing; Zhang, Jingjing; Wu, Xia; Gao, Qinghe; Wu, Anxin","Organopromoted direct synthesis of 6-iodo-3-methylthioimidazo[1,2-a]pyridines via convergent integration of three self-sorting domino sequences.","Organic & biomolecular chemistry","2015","13","33","8807","8811","10.1039/c5ob01313e","","","0.71073","MoKα","","0.0316","0.0296","","","0.0943","0.0967","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154600","10.412","0.003","7.85","0.003","17.427","0.006","90","","105.304","0.006","90","","1373.9","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H41 N O2 Se -","- C29 H41 N O2 Se -","- C58 H82 N2 O4 Se2 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0342","0.032","","","0.0835","0.0902","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154601","5.8067","0.0018","13.672","0.004","13.807","0.004","90","","90.852","0.006","90","","1096","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C50 H54 N2 O6 S2 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0302","0.0281","","","0.0747","0.0774","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154602","8.5898","0.0017","10.768","0.002","28.159","0.006","90","","90","","90","","2604.6","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O2 Se -","- C28 H37 N O2 Se -","- C112 H148 N4 O8 Se4 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.044","0.0394","","","0.1064","0.1096","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154603","12.295","0.002","13.5593","0.0019","15.728","0.003","90","","90","","90","","2622","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N O2 Se -","- C26 H41 N O2 Se -","- C104 H164 N4 O8 Se4 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0582","0.0356","","","0.0706","0.08","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154604","6.517","0.003","12.303","0.005","12.943","0.005","90","","100.402","0.007","90","","1020.7","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H35 N O2 -","- C22 H35 N O2 -","- C44 H70 N2 O4 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0287","0.0278","","","0.0728","0.0739","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154605","8.8571","0.0008","15.0597","0.0014","15.5921","0.0014","90","","90","","90","","2079.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl N O2 -","- C22 H32 Cl N O2 -","- C88 H128 Cl4 N4 O8 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0268","0.0249","","","0.0633","0.0649","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154606","8.7862","0.0003","20.9598","0.0007","8.5716","0.0003","90","","117.059","0.002","90","","1405.73","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2,2-dioxo-6-phenyl-1H,3H-pyrazolo[1,5-c][1,3]thiazole-7-carboxylate","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C56 H56 N8 O16 S4 -","4","1","","Lopes, Susana M. M.; Correia, Cátia F O; Nunes, Sandra C. C.; Pereira, Nelson A. M.; Ferreira, Ana R. F.; Sousa, Emanuel P.; Gomes, Clara S. B.; Salvador, Jorge A. R.; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Synthesis of chiral hexacyclic steroids via [8π + 2π] cycloaddition of diazafulvenium methides.","Organic & biomolecular chemistry","2015","13","34","9127","9139","10.1039/c5ob01110h","","x-ray","0.71073","MoKα","","0.0561","0.0408","","","0.1048","0.1105","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154607","12.8055","0.0017","14.5445","0.0019","14.594","0.002","98.06","0.006","99.289","0.007","115.517","0.006","2352.7","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(4aR,7aR,8aR)-Dimethyl 8-benzyl-5,7-dioxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-1H,3H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyridine-2,3-dicarboxylate","","- C26 H23 N3 O6 -","- C26 H23 N3 O6 -","- C104 H92 N12 O24 -","4","2","","Lopes, Susana M. M.; Correia, Cátia F O; Nunes, Sandra C. C.; Pereira, Nelson A. M.; Ferreira, Ana R. F.; Sousa, Emanuel P.; Gomes, Clara S. B.; Salvador, Jorge A. R.; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Synthesis of chiral hexacyclic steroids via [8π + 2π] cycloaddition of diazafulvenium methides.","Organic & biomolecular chemistry","2015","13","34","9127","9139","10.1039/c5ob01110h","","x-ray","0.71073","MoKα","","0.1744","0.0614","","","0.1206","0.1581","","","","","","0.872","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7154608","17.0052","0.0007","17.3045","0.0008","19.3461","0.0008","74.882","0.004","64.37","0.004","64.823","0.004","4624.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N6 O4 -","- C20 H14 N6 O4 -","- C200 H140 N60 O40 -","10","5","","Chen, Ping-Fan; Kuo, Kung-Kai; Vandavasi, Jaya Kishore; Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Wang, Jeh-Jeng","Metal-free cycloaddition to synthesize naphtho[2,3-d][1,2,3]triazole-4,9-diones.","Organic & biomolecular chemistry","2015","13","35","9261","9266","10.1039/c5ob01322d","","x-ray","0.71073","MoKα","","0.0904","0.053","","","0.1011","0.1183","","","","","","1.002","","","","has coordinates","155229","2020-10-21","18:00:00",""
"7154609","23.897","0.017","6.42","0.005","8.292","0.006","90","","95.275","0.011","90","","1266.8","1.6","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H9 N3 O2 -","- C16 H9 N3 O2 -","- C64 H36 N12 O8 -","4","1","","Chen, Ping-Fan; Kuo, Kung-Kai; Vandavasi, Jaya Kishore; Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Wang, Jeh-Jeng","Metal-free cycloaddition to synthesize naphtho[2,3-d][1,2,3]triazole-4,9-diones.","Organic & biomolecular chemistry","2015","13","35","9261","9266","10.1039/c5ob01322d","","","0.71073","MoKα","","0.0784","0.0462","","","0.1095","0.1313","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154610","16.3644","0.0006","15.9689","0.0006","12.8284","0.0005","90","","90","","90","","3352.3","0.2","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 N O9 P S -","- C34 H36 N O9 P S -","- C136 H144 N4 O36 P4 S4 -","4","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71073","MoKα","","0.0741","0.0494","","0.052","0.0512","0.0511","","","","","","1.0721","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154611","10.2628","0.0005","8.9164","0.0004","18.5939","0.0009","90","","105.023","0.005","90","","1643.32","0.14","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H40 N O9 P S -","- C31 H40 N O9 P S -","- C62 H80 N2 O18 P2 S2 -","2","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71069","MoKα","","0.0738","0.0511","","0.0546","0.0436","0.0406","","","","","","1.153","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154612","11.8008","0.0005","14.3566","0.0008","16.6799","0.0011","90","","90","","90","","2825.9","0.3","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N O8 P S -","- C27 H28 N O8 P S -","- C108 H112 N4 O32 P4 S4 -","4","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71069","MoKα","","0.1498","0.0788","","0.0806","0.0595","0.0536","","","","","","1.1191","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154613","6.9629","0.0013","10.231","0.003","14.781","0.002","102.726","0.018","97.404","0.016","94.658","0.018","1012","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N3 O4 S2 -","- C18 H21 N3 O4 S2 -","- C36 H42 N6 O8 S4 -","2","1","","Kumar, Virendra; Kumar, Ajit; Diwan, Uzra; Singh, Manish Kumar; Upadhyay, K. K.","A radical approach for fluorescent turn 'on' detection, differentiation and bioimaging of methanol.","Organic & biomolecular chemistry","2015","13","33","8822","8826","10.1039/c5ob01333j","","","0.71073","MoKα","","0.1294","0.0574","","","0.0556","0.0712","","","","","","0.96","","","","has coordinates","155242","2020-10-21","18:00:00",""
"7154614","7.621","0.002","13.163","0.004","23.299","0.007","90","","90","","90","","2337.2","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N2 O5 Se Si -","- C17 H28 N2 O5 Se Si -","- C68 H112 N8 O20 Se4 Si4 -","4","1","","Kogami, Masakazu; Koketsu, Mamoru","An efficient method for the synthesis of selenium modified nucleosides: its application in the synthesis of Se-adenosyl-l-selenomethionine (SeAM).","Organic & biomolecular chemistry","2015","13","36","9405","9417","10.1039/c5ob01316j","","","0.71075","MoKα","","0.1599","0.1062","","","0.2754","0.3156","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154615","12.239","0.002","15.019","0.003","20.059","0.003","90","","101.801","0.011","90","","3609.3","1.1","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6,15,22-Tri-tert-butyl-9,18,25-trimethoxy[3.3.1]metacyclophane-2,11- dione","","- C40 H52 O5 -","- C40 H52 O5 -","- C160 H208 O20 -","4","1","","Islam, Md Monarul; Tomiyasu, Hirotsugu; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris E.; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformational studies of chiral macrocyclic [1.1.1]metacyclophanes containing benzofuran rings.","Organic & biomolecular chemistry","2015","13","34","9055","9064","10.1039/c5ob01002k","","","1.54187","CuKα","","0.0485","0.0414","","","0.1096","0.1124","","","","","","1.05","","","","has coordinates,has disorder","155234","2020-10-21","18:00:00",""
"7154616","25.2718","0.0005","13.4859","0.0003","17.4972","0.0004","90","","90","","90","","5963.3","0.2","123","","123","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","15,35,55-tri-tert-butyl-12-hydroxy-1-(1,3)-benzena-3,5(2,7) benzofuranacyclohexaphane","","- C37 H42 O3 -","- C37 H42 O3 -","- C296 H336 O24 -","8","1","","Islam, Md Monarul; Tomiyasu, Hirotsugu; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris E.; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformational studies of chiral macrocyclic [1.1.1]metacyclophanes containing benzofuran rings.","Organic & biomolecular chemistry","2015","13","34","9055","9064","10.1039/c5ob01002k","","","1.54187","CuKα","","0.0651","0.0444","","","0.0938","0.1018","","","","","","1.016","","","","has coordinates","155234","2020-10-21","18:00:00",""
"7154617","17.5245","0.0003","13.6997","0.0003","26.7366","0.0005","90","","104.033","0.007","90","","6227.4","0.3","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","15,35,55-tri-tert-butyl-12-methoxy-1-(1,3)- benzena-3,5-(2,7)benzofurana-cyclohexaphane","","- C38 H44 O3 -","- C38 H44 O3 -","- C304 H352 O24 -","8","1","","Islam, Md Monarul; Tomiyasu, Hirotsugu; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris E.; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformational studies of chiral macrocyclic [1.1.1]metacyclophanes containing benzofuran rings.","Organic & biomolecular chemistry","2015","13","34","9055","9064","10.1039/c5ob01002k","","","1.54187","CuKα","","0.0777","0.0629","","","0.1541","0.1638","","","","","","1.041","","","","has coordinates","155234","2020-10-21","18:00:00",""
"7154618","9.661","0.01","18.921","0.019","35.7","0.04","90","","90","","90","","6526","12","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H50 O2 Si5 -","- C26 H50 O2 Si5 -","- C208 H400 O16 Si40 -","8","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.1718","0.0578","","","0.1258","0.1735","","","","","","0.944","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154619","11.587","0.009","12.882","0.01","13.076","0.01","89.35","0.009","65.871","0.009","74.849","0.009","1709","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H50 O Si5 -","- C30 H50 O Si5 -","- C60 H100 O2 Si10 -","2","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.0523","0.0407","","","0.1271","0.1422","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154620","9.7059","0.0011","12.3889","0.0014","14.2286","0.0016","93.485","0.002","91.21","0.002","97.443","0.002","1692.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H50 N2 O3 Si5 -","- C27 H50 N2 O3 Si5 -","- C54 H100 N4 O6 Si10 -","2","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.059","0.0418","","","0.126","0.1423","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154621","14.925","0.012","11.801","0.008","18.571","0.014","90","","110.765","0.016","90","","3058","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H50 N2 Si6 -","- C20 H50 N2 Si6 -","- C80 H200 N8 Si24 -","4","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.0768","0.0451","","","0.1153","0.134","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154622","10.2089","0.0008","6.5207","0.0006","13.9304","0.0011","90","","98.383","0.007","90","","917.43","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6aR,7S,10aS)-2-bromo-7-(4-chlorophenyl)-6a-nitro-7,8,10,10a-tetrahydro-6H-benzo[c]chromen-9(6aH)-one","","- C19 H15 Br Cl N O4 -","- C19 H15 Br Cl N O4 -","- C38 H30 Br2 Cl2 N2 O8 -","2","1","","Li, Jun-Hua; Du, Da-Ming","Enantioselective cascade double Michael addition of 3-nitro-2H-chromenes and acyclic enones: efficient synthesis of functionalized tricyclic chroman derivatives.","Organic & biomolecular chemistry","2015","13","37","9600","9609","10.1039/c5ob01211b","","","1.54184","CuKα","","0.1151","0.0687","","","0.1488","0.1798","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154623","6.4981","0.0019","11.985","0.004","23.813","0.007","90","","90","","90","","1854.5","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","sa3912","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C84 H80 Br4 N4 O12 -","4","1","","Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu","Organic base-promoted enantioselective electrophilic cyanation of β-keto esters by using chiral phase-transfer catalysts.","Organic & biomolecular chemistry","2015","13","33","8812","8816","10.1039/c5ob01301a","","","0.71073","MoKα","","0.0445","0.0407","","","0.0733","0.0747","","","","","","1.131","","","","has coordinates","155246","2020-10-21","18:00:00",""
"7154624","13.3258","0.0003","12.8123","0.0003","14.6052","0.0004","90","","116.613","0.0008","90","","2229.42","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 B2 F3 N2 O2 -","- C23 H29 B2 F3 N2 O2 -","- C92 H116 B8 F12 N8 O8 -","4","1","","Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena","Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.","Organic & biomolecular chemistry","2015","13","37","9659","9664","10.1039/c5ob01523e","","","0.71073","MoKα","","0.0507","0.0398","","","0.103","0.1098","","","","","","1.042","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154625","7.202","0.0009","39.014","0.004","13.9823","0.0017","90","","90.614","0.004","90","","3928.5","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H66 B2 N2 O2 -","- C43 H66 B2 N2 O2 -","- C172 H264 B8 N8 O8 -","4","2","","Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena","Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.","Organic & biomolecular chemistry","2015","13","37","9659","9664","10.1039/c5ob01523e","","","0.71073","MoKα","","0.0855","0.0639","","","0.1648","0.1817","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154626","16.4632","0.0013","10.963","0.0009","13.1045","0.0009","90","","99.031","0.003","90","","2335.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B2 N2 O2 -","- C26 H36 B2 N2 O2 -","- C104 H144 B8 N8 O8 -","4","1","","Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena","Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.","Organic & biomolecular chemistry","2015","13","37","9659","9664","10.1039/c5ob01523e","","","0.71073","MoKα","","0.0975","0.0476","","","0.1135","0.148","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154627","7.871","0.005","11.094","0.005","15.506","0.005","90","0.005","90","0.005","90","0.005","1354","1.1","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C14 H10 Br2 O3 -","- C14 H10 Br2 O3 -","- C56 H40 Br8 O12 -","4","1","","Choudhury, Sumit; Ahmad, Saeed; Khan, Faiz Ahmed","Effect of bridgehead substitution in the Grob fragmentation of norbornyl ketones: a new route to substituted halophenols.","Organic & biomolecular chemistry","2015","13","37","9686","9696","10.1039/c5ob01287b","","","0.71069","MoKα","","0.0828","0.0471","","","0.1135","0.1563","","","","","","1.045","","","","has coordinates","162206","2020-10-21","18:00:00",""
"7154628","14.39","0.003","9.587","0.0016","14.773","0.003","90","","107.651","0.002","90","","1942.1","0.7","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N3 O5 P -","- C19 H20 N3 O5 P -","- C76 H80 N12 O20 P4 -","4","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Gupta, Ekta; Kant, Ruchir; Mohanan, Kishor","Substrate-controlled product-selectivity in the reaction of the Bestmann-Ohira reagent with N-unprotected isatin-derived olefins.","Organic & biomolecular chemistry","2015","13","38","9783","9788","10.1039/c5ob01382h","","","0.71075","MoKα","","0.0441","0.0387","","","0.1107","0.114","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154629","8.955","0.002","9.519","0.002","12.242","0.003","90.177","0.003","94.21","0.003","116.002","0.004","934.7","0.4","293","2","293","2","","","","","","","see text","6","P -1","-P 1","2","","","","- C19 H15 F N3 O5 P -","- C19 H15 F N3 O5 P -","- C38 H30 F2 N6 O10 P2 -","2","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Gupta, Ekta; Kant, Ruchir; Mohanan, Kishor","Substrate-controlled product-selectivity in the reaction of the Bestmann-Ohira reagent with N-unprotected isatin-derived olefins.","Organic & biomolecular chemistry","2015","13","38","9783","9788","10.1039/c5ob01382h","","","0.71075","MoKα","","0.048","0.0414","","","0.1193","0.1235","","","","","","1.094","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7154630","8.2681","0.0005","7.5543","0.0005","23.4201","0.0017","90","","96.148","0.003","90","","1454.4","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H33 N O9 -","- C31 H33 N O9 -","- C62 H66 N2 O18 -","2","1","","Zhou, M.-J.; Bouazzaoui, S.; Jones, L. E.; Goodrich, P.; Bell, S. E. J.; Sheldrake, G. N.; Horton, P. N.; Coles, S. J.; Fletcher, N. C.","Isolation and structural determination of non-racemic tertiary cathinone derivatives.","Organic & biomolecular chemistry","2015","13","37","9629","9636","10.1039/c5ob01306b","","","0.71075","MoKα","","0.1535","0.0865","","","0.192","0.231","","","","","","1.037","","","","has coordinates","162181","2020-10-21","18:00:00",""
"7154631","6.306","0.004","8.935","0.006","13.518","0.009","90","","96.662","0.008","90","","756.5","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C28 H36 N4 O6 S2 -","2","1","","Gao, Ning; Zhao, Xiao-Ming; Cai, Cheng-Si; Cai, Jue-Wang","Enantioselective synthesis of monofluorinated allylic compounds: Pd-catalyzed asymmetric allylations of dimethyl 2-fluoromalonate using new N-sulfinyl-based ligands.","Organic & biomolecular chemistry","2015","13","37","9551","9558","10.1039/c5ob01434d","","","0.71073","MoKα","","0.0672","0.0442","","","0.0982","0.104","","","","","","0.912","","","","has coordinates","162201","2020-10-21","18:00:00",""
"7154632","11.651","0.004","5.9117","0.0018","14.797","0.005","90","","96.518","0.004","90","","1012.6","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br2 F O4 -","- C20 H17 Br2 F O4 -","- C40 H34 Br4 F2 O8 -","2","1","","Gao, Ning; Zhao, Xiao-Ming; Cai, Cheng-Si; Cai, Jue-Wang","Enantioselective synthesis of monofluorinated allylic compounds: Pd-catalyzed asymmetric allylations of dimethyl 2-fluoromalonate using new N-sulfinyl-based ligands.","Organic & biomolecular chemistry","2015","13","37","9551","9558","10.1039/c5ob01434d","","","0.71073","MoKα","","0.0514","0.0379","","","0.0932","0.0979","","","","","","1.051","","","","has coordinates","162201","2020-10-21","18:00:00",""
"7154633","9.603","0.0015","5.6386","0.0009","19.96","0.003","90","","92.827","0.002","90","","1079.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br2 O4 S2 -","- C20 H24 Br2 O4 S2 -","- C40 H48 Br4 O8 S4 -","2","0.5","","Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika","A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.","Organic & biomolecular chemistry","2015","13","36","9462","9470","10.1039/c5ob01135c","","","0.71073","MoKα","","0.0307","0.0266","","","0.0646","0.0666","","","","","","1.05","","","","has coordinates","155232","2020-10-21","18:00:00",""
"7154634","11.34","0.014","16.33","0.02","16.93","0.02","90","","99.38","0.02","90","","3093","7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl3 O5 P S2 -","- C27 H30 Cl3 O5 P S2 -","- C108 H120 Cl12 O20 P4 S8 -","4","1","","Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika","A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.","Organic & biomolecular chemistry","2015","13","36","9462","9470","10.1039/c5ob01135c","","","0.71073","MoKα","","0.0791","0.0518","","","0.1389","0.1577","","","","","","1.042","","","","has coordinates,has disorder","155232","2020-10-21","18:00:00",""
"7154635","3.7349","0.001","10.508","0.003","12.512","0.003","90","","96.366","0.004","90","","488","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H4 O3 S2 -","- C11 H4 O3 S2 -","- C22 H8 O6 S4 -","2","1","","Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika","A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.","Organic & biomolecular chemistry","2015","13","36","9462","9470","10.1039/c5ob01135c","","","0.71073","MoKα","","0.0439","0.0417","","","0.1019","0.1035","","","","","","1.136","","","","has coordinates","155232","2020-10-21","18:00:00",""
"7154636","8.104","0.0016","17.252","0.004","9.486","0.0019","90","","106.24","0.03","90","","1273.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","","Li, Jingfu; Chang, Wenju; Ren, Wenlong; Liu, Wei; Wang, Haining; Shi, Yian","A palladium-catalyzed enantioselective hydroesterification of alkenylphenols with phenyl formate. A facile approach to optically active dihydrocoumarins.","Organic & biomolecular chemistry","2015","13","41","10341","10347","10.1039/c5ob01431j","","","0.71073","MoKα","","0.1354","0.0968","","","0.2209","0.242","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154637","12.6131","0.0005","26.049","0.001","8.1912","0.0004","90","","108.884","0.002","90","","2546.43","0.19","156","2","155.86","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl3 N7 O10 -","- C19 H18 Cl3 N7 O10 -","- C76 H72 Cl12 N28 O40 -","4","1","","Kutty, Samuel K.; Barraud, Nicolas; Ho, Kitty K. K.; Iskander, George M.; Griffith, Renate; Rice, Scott A.; Bhadbhade, Mohan; Willcox, Mark D. P.; Black, David StC; Kumar, Naresh","Hybrids of acylated homoserine lactone and nitric oxide donors as inhibitors of quorum sensing and virulence factors in Pseudomonas aeruginosa.","Organic & biomolecular chemistry","2015","13","38","9850","9861","10.1039/c5ob01373a","","","0.71073","MoKα","","0.2858","0.2697","","","0.667","0.6748","","","","","","3.511","","","","has coordinates,has disorder","162150","2020-10-21","18:00:00",""
"7154638","10.0324","0.0006","5.2469","0.0002","16.142","0.0009","90","","101.826","0.003","90","","831.66","0.08","152","2","152","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N2 O6 -","- C6 H8 N2 O6 -","- C24 H32 N8 O24 -","4","1","","Kutty, Samuel K.; Barraud, Nicolas; Ho, Kitty K. K.; Iskander, George M.; Griffith, Renate; Rice, Scott A.; Bhadbhade, Mohan; Willcox, Mark D. P.; Black, David StC; Kumar, Naresh","Hybrids of acylated homoserine lactone and nitric oxide donors as inhibitors of quorum sensing and virulence factors in Pseudomonas aeruginosa.","Organic & biomolecular chemistry","2015","13","38","9850","9861","10.1039/c5ob01373a","","","0.71073","MoKα","","0.04","0.0322","","","0.0831","0.0889","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154639","13.823","0.004","7.673","0.002","27.213","0.007","90","","90","","90","","2886.3","1.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Nostodione A methyl ether","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C152 H104 N8 O24 -","8","1","","McNulty, James; Keskar, Kunal; Jenkins, Hilary A.; Werstiuk, Nick H.; Bordón, Claudia; Yolken, Robert; Jones-Brando, Lorraine","Synthesis of the cyanobacterial metabolite nostodione A, structural studies and potent antiparasitic activity against Toxoplasma gondii.","Organic & biomolecular chemistry","2015","13","39","10015","10024","10.1039/c5ob01506e","","","0.71073","MoKα","","0.1062","0.0557","","","0.1127","0.1316","","","","","","1.016","","","","has coordinates","162168","2020-10-21","18:00:00",""
"7154640","8.5794","0.0006","12.6291","0.0016","22.1208","0.0017","90","","91.615","0.007","90","","2395.8","0.4","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 F3 N O4 P S -","- C21 H27 F3 N O4 P S -","- C84 H108 F12 N4 O16 P4 S4 -","4","1","","Cytlak, T.; Saweliew, M.; Kubicki, M.; Koroniak, H.","Synthesis of trifluoromethyl γ-aminophosphonates by nucleophilic aziridine ring opening.","Organic & biomolecular chemistry","2015","13","39","10050","10059","10.1039/c5ob01411e","","","1.5418","CuKα","","0.0592","0.049","","","0.1367","0.1454","","","","","","1.031","","","","has coordinates","162159","2020-10-21","18:00:00",""
"7154641","16.654","0.004","5.0589","0.0013","21.395","0.006","90","","94.15","0.02","90","","1797.8","0.8","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 F3 N O4 P -","- C15 H21 F3 N O4 P -","- C60 H84 F12 N4 O16 P4 -","4","1","","Cytlak, T.; Saweliew, M.; Kubicki, M.; Koroniak, H.","Synthesis of trifluoromethyl γ-aminophosphonates by nucleophilic aziridine ring opening.","Organic & biomolecular chemistry","2015","13","39","10050","10059","10.1039/c5ob01411e","","","0.7107","MoKα","","0.2337","0.081","","","0.1727","0.2214","","","","","","0.882","","","","has coordinates","162159","2020-10-21","18:00:00",""
"7154642","6.3711","0.0001","12.1422","0.0003","27.2294","0.0007","90","","90","","90","","2106.44","0.08","100","2","100.15","","","","101.3","","","","synthetic","6","P 21 21 21","P 2ac 2ab","19","thymidine-LNA-3'-O-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane)","thymin-1-yl-2'-O,4'-C-methylene-β-D-ribofuranosyl-3'-O-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane)","","- C18 H25 N2 O7 P S2 -","- C18 H25 N2 O7 P S2 -","- C72 H100 N8 O28 P4 S8 -","4","1","","Jastrzębska, Katarzyna; Maciaszek, Anna; Dolot, Rafał; Bujacz, Grzegorz; Guga, Piotr","Thermal stability and conformation of antiparallel duplexes formed by P-stereodefined phosphorothioate DNA/LNA chimeric oligomers with DNA and RNA matrices.","Organic & biomolecular chemistry","2015","13","39","10032","10040","10.1039/c5ob01474c","","x-ray","1.54184","CuKα","","0.036","0.031","","","0.0726","0.075","","","","","","1.032","","","","has coordinates","162163","2020-10-21","18:00:00",""
"7154643","8.7847","0.001","10.1017","0.0009","17.1281","0.001","89.731","0.006","88.638","0.007","69.689","0.006","1425","0.2","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H47 N O3 -","- C30 H47 N O3 -","- C60 H94 N2 O6 -","2","1","","Kamath, Anushree; Fabritius, Charles-Henry; Philouze, Christian; Delair, Philippe","A new approach to the 8b-azaacenaphthylene ring system.","Organic & biomolecular chemistry","2015","13","38","9834","9843","10.1039/c5ob01013f","","x-ray","0.71073","MoKα","","0.0681","0.0497","","","0.1287","0.1477","","","","","","1.056","","","","has coordinates,has disorder","162141","2020-10-21","18:00:00",""
"7154644","8.3651","0.0017","10.416","0.002","21.073","0.004","103.176","0.013","92.751","0.015","74.496","0.015","1722.6","0.6","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H53 N O4 -","- C37 H53 N O4 -","- C74 H106 N2 O8 -","2","1","","Kamath, Anushree; Fabritius, Charles-Henry; Philouze, Christian; Delair, Philippe","A new approach to the 8b-azaacenaphthylene ring system.","Organic & biomolecular chemistry","2015","13","38","9834","9843","10.1039/c5ob01013f","","x-ray","1.54178","CuKα","","0.1091","0.0617","","","0.169","0.2104","","","","","","1.062","","","","has coordinates","162141","2020-10-21","18:00:00",""
"7154645","10.274","0.002","25.257","0.005","26.703","0.005","90","","90","","90","","6929","2","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H55 N O3 -","- C37 H55 N O3 -","- C296 H440 N8 O24 -","8","1","","Kamath, Anushree; Fabritius, Charles-Henry; Philouze, Christian; Delair, Philippe","A new approach to the 8b-azaacenaphthylene ring system.","Organic & biomolecular chemistry","2015","13","38","9834","9843","10.1039/c5ob01013f","","x-ray","0.71073","MoKα","","0.1599","0.099","","","0.2408","0.2808","","","","","","1.038","","","","has coordinates,has disorder","162141","2020-10-21","18:00:00",""
"7154646","11.3455","0.0012","10.2153","0.001","14.3393","0.0013","90","","94.725","0.005","90","","1656.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 B Br F7 N2 O -","- C16 H7 B Br F7 N2 O -","- C64 H28 B4 Br4 F28 N8 O4 -","4","1","","Raja Sekhar, Adiki; Kaloo, Masood Ayoub; Sankar, Jeyaraman","Dual-mode chemodosimetric response of dibromo-BODIPY with anions.","Organic & biomolecular chemistry","2015","13","40","10155","10161","10.1039/c5ob01386k","","","0.71073","MoKα","","0.041","0.0354","","","0.0898","0.0944","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154647","12.036","0.005","10.533","0.005","12.239","0.005","90","","94.749","0.01","90","","1546.3","1.2","100","2","100.15","","","","","","","","N/A","4","P 1 21 1","P 2yb","4","Fluoroalkene 11","3-?-(2?, 3?, 4?, 6?-?-Tetra-?-O-?-benzyl-?-α-?-D-?- galactopyranosyl)-?-3-?-R-?-fluoropropene","","- C37 H39 F O5 -","- C37 H39 F O5 -","- C74 H78 F2 O10 -","2","1","","Altiti, Ahmad S.; Bachan, S.; Alrowhani, W.; Mootoo, D. R.","An organocatalytic strategy for the stereoselective synthesis of C-galactosides with fluorine at the pseudoanomeric carbon.","Organic & biomolecular chemistry","2015","13","41","10328","10335","10.1039/c5ob01471a","","","0.71095","MoKα","","0.0928","0.0655","","","0.1604","0.1831","","","","","","0.9821","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7154648","18.6725","0.0014","9.6689","0.0007","19.3848","0.0014","90","","90","","90","","3499.8","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H14 Cl N O3 -","- C21 H14 Cl N O3 -","- C168 H112 Cl8 N8 O24 -","8","2","","Sun, Jinwei; Wang, Fuyao; Shen, Yongmiao; Zhi, Huizhen; Wu, Hui; Liu, Yun","Palladium-catalyzed direct and regioselective C-H acyloxylation of indolizines.","Organic & biomolecular chemistry","2015","13","40","10236","10243","10.1039/c5ob01359c","","","0.71073","MoKα","","0.046","0.04","","","0.1021","0.1088","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154649","8.3589","0.0001","20.9131","0.0003","17.1468","0.0004","90","","97.582","0.001","90","","2971.23","0.09","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 B F10 N -","- C33 H27 B F10 N -","- C132 H108 B4 F40 N4 -","4","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.0849","0.0581","","","0.1067","0.1195","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154650","8.9201","0.0002","10.7594","0.0003","25.6057","0.0007","90","","90.619","0.001","90","","2457.36","0.11","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 B F10 N O -","- C27 H24 B F10 N O -","- C108 H96 B4 F40 N4 O4 -","4","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.0682","0.0516","","","0.1123","0.1212","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154651","10.0839","0.0003","10.3125","0.0003","11.7098","0.0003","93.787","0.0013","92.769","0.0012","102.949","0.0012","1181.65","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 B F10 N -","- C27 H24 B F10 N -","- C54 H48 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","1.54178","CuKα","","0.045","0.0387","","","0.0984","0.103","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154652","9.0475","0.0002","10.2558","0.0002","14.7499","0.0005","84.788","0.001","79.791","0.001","76.629","0.002","1308.68","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 B F10 N -","- C28 H26 B F10 N -","- C56 H52 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.1011","0.0705","","","0.1356","0.156","","","","","","1.11","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154653","8.3829","0.0002","18.0928","0.0005","18.0057","0.0006","90","","95.814","0.001","90","","2716.88","0.13","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 B F10 N -","- C29 H24 B F10 N -","- C116 H96 B4 F40 N4 -","4","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.1102","0.0707","","","0.1269","0.1488","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154654","8.626","0.0005","18.2872","0.0012","21.3911","0.0014","90","","91.102","0.002","90","","3373.7","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 B F10 N O -","- C16 H8 B F10 N O -","- C128 H64 B8 F80 N8 O8 -","8","2","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.3246","0.1902","","","0.2615","0.3268","","","","","","1.247","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154655","8.0677","0.0003","9.7095","0.0004","18.3172","0.0007","81.567","0.002","85.147","0.001","70.608","0.001","1337.82","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 B F10 N -","- C27 H24 B F10 N -","- C54 H48 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","1.54178","CuKα","","0.0488","0.0423","","","0.1151","0.119","","","","","","1.047","","","","has coordinates","171353","2020-10-21","18:00:00",""
"7154656","9.0935","0.0005","9.5304","0.0005","11.4509","0.0007","70.278","0.002","74.54","0.002","65.394","0.002","840.08","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 B F10 N -","- C17 H10 B F10 N -","- C34 H20 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.0493","0.0362","","","0.0845","0.092","","","","","","1.063","","","","has coordinates","171353","2020-10-21","18:00:00",""
"7154657","11.4534","0.0008","11.6801","0.0009","14.4308","0.0011","96.466","0.005","102.806","0.004","90.975","0.004","1868.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cbz-(rac)-(αMe)ValAib4OtBu","racemic CbzMeValAib4OtBu","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C68 H110 N10 O16 -","2","1","","Pike, Sarah J.; Jones, Jennifer E.; Raftery, James; Clayden, Jonathan; Webb, Simon J.","Helical peptaibol mimics are better ionophores when racemic than when enantiopure.","Organic & biomolecular chemistry","2015","13","37","9580","9584","10.1039/c5ob01652e","","","1.54178","CuKα","","0.0631","0.0524","","","0.1417","0.1505","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154658","8.7294","0.0017","9.0226","0.0018","13.246","0.003","89.48","0.03","79.49","0.03","89.81","0.03","1025.7","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O -","- C27 H22 O -","- C54 H44 O2 -","2","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","0.71073","MoKα","","0.0615","0.0463","","","0.1254","0.1379","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154659","20.9391","0.0005","19.6321","0.0004","19.0212","0.0005","90","","99.008","0.002","90","","7722.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O -","- C25 H20 O -","- C400 H320 O16 -","16","4","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","1.54184","CuKα","","0.0778","0.0555","","","0.147","0.1639","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154660","40.689","0.0012","7.9939","0.0002","15.8777","0.0007","90","","101.669","0.003","90","","5057.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C256 H208 O32 -","8","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","1.54184","CuKα","","0.0747","0.0653","","","0.1978","0.2091","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154661","9.648","0.004","12.704","0.005","13.199","0.005","118.354","0.005","94.509","0.006","101.854","0.006","1363.9","0.9","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H30 O4 -","- C33 H30 O4 -","- C66 H60 O8 -","2","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","0.71073","MoKα","","0.1462","0.1102","","","0.3182","0.3477","","","","","","1.215","","","","has coordinates","162173","2020-10-21","18:00:00",""
"7154662","10.0941","0.0005","12.7419","0.0005","13.2345","0.0008","117.981","0.005","94.366","0.005","104.498","0.004","1417.55","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H32 O4 -","- C34 H32 O4 -","- C68 H64 O8 -","2","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","1.54184","CuKα","","0.0602","0.0497","","","0.1435","0.1563","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154663","9.999","0.003","16.21","0.005","16.317","0.005","90","","90","","90","","2644.7","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-N-(2-(phenylsulfonyl)ethylidene)morpholin-4-amine","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C96 H128 N16 O24 S8 -","8","1","","Zheng, Danqing; Kuang, Yunyan; Wu, Jie","A four-component reaction of aryldiazonium tetrafluoroborates, sulfur dioxide, 1,2-dibromoethane, and hydrazines.","Organic & biomolecular chemistry","2015","13","41","10370","10375","10.1039/c5ob01765c","","","0.71073","MoKα","","0.0721","0.0446","","","0.101","0.1077","","","","","","0.911","","","","has coordinates","171335","2020-10-21","18:00:00",""
"7154664","29.2646","0.0012","9.4866","0.0004","15.7986","0.0007","90","","103.661","0.002","90","","4262","0.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cl2 N2 O2 -","- C24 H19 Cl2 N2 O2 -","- C192 H152 Cl16 N16 O16 -","8","1","","Babu, K. Naresh; Kinthada, Lakshmana K.; Ghosh, Santanu; Bisai, Alakesh","Highly chemoselective synthesis of dimeric 2-oxindoles with a C-3/C-5' linkage via Friedel-Crafts alkylations of 2-oxindoles with 3-hydroxy-2-oxindoles.","Organic & biomolecular chemistry","2015","13","43","10641","10655","10.1039/c5ob01670c","","","0.71073","MoKα","","0.0913","0.0749","","","0.1293","0.1314","","","","","","3.455","","","","has coordinates","171346","2020-10-21","18:00:00",""
"7154665","9.4773","0.0019","9.4856","0.0015","12.418","0.003","82.847","0.009","79.354","0.01","76.208","0.009","1061.7","0.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C54 H46 N6 O4 -","2","1","","Babu, K. Naresh; Kinthada, Lakshmana K.; Ghosh, Santanu; Bisai, Alakesh","Highly chemoselective synthesis of dimeric 2-oxindoles with a C-3/C-5' linkage via Friedel-Crafts alkylations of 2-oxindoles with 3-hydroxy-2-oxindoles.","Organic & biomolecular chemistry","2015","13","43","10641","10655","10.1039/c5ob01670c","","","0.71073","MoKα","","0.1102","0.0544","","","0.144","0.1737","","","","","","1.014","","","","has coordinates","171346","2020-10-21","18:00:00",""
"7154666","15.8707","0.0003","37.2414","0.0007","21.2432","0.0004","90","","131.683","0.001","90","","9377.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H73.5 N O3 Si2 -","- C49.5 H73.5 N O3 Si2 -","- C396 H588 N8 O24 Si16 -","8","2","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0998","0.0619","","","0.1528","0.1738","","","","","","1.027","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154667","9.644","0.004","12.021","0.006","18.923","0.006","86.145","0.014","85.326","0.01","85.326","0.019","2175.1","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl-2-hydroxy-3-mesityl-1-methyl-4,9-bis((triisopropylsilyl)oxy)-2,3-dihydro-1H-benzo[f]isoindole-1-carboxylate","","- C43 H67 N O5 Si2 -","- C43 H67 N O5 Si2 -","- C86 H134 N2 O10 Si4 -","2","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.1103","0.0763","","","0.1937","0.2167","","","","","","1.034","","","","has coordinates","171347","2020-10-21","18:00:00",""
"7154668","8.7","0.0007","15.359","0.001","17.871","0.0011","67.097","0.004","89.688","0.004","79.278","0.004","2155.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","ethyl cis-3-mesityl-1-methyl-4,9-bis((triisopropylsilyl)oxy)-2,3-dihydro-1H-benzo[f]isoindole-1-carboxylate","","- C43 H67 N O4 Si2 -","- C43 H67 N O4 Si2 -","- C86 H134 N2 O8 Si4 -","2","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.1068","0.0748","","","0.1908","0.2104","","","","","","1.034","","","","has coordinates","171347","2020-10-21","18:00:00",""
"7154669","15.518","0.0004","12.321","0.0005","9.057","0.0008","90","","106.742","0.003","90","","1658.27","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Szpilman12","methyl 3-isopropyl-1-methyl-4,9-dioxo-2,3,4,9-tetrahydro-1H-benzo[f]isoindole-1-carboxylate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0573","0.047","","","0.1232","0.1301","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154670","9.081","0.0006","11.092","0.0006","20.597","0.001","90","","94.188","0.004","90","","2069.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl cis-4,7-dihydroxy-1-methyl-3-(naphthalen-1-yl)isoindoline-1-carboxylat","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0531","0.0442","","","0.1168","0.1229","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154671","11.171","0.0003","8.589","0.0003","19.728","0.0007","90","","95.532","0.0011","90","","1884.04","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Szpilman9","ethyl 3-(tert-butyl)-1-methyl-4,9-dioxo-2,3,4,9-tetrahydro-1H-benzo[f]isoindole-1-carboxylate","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0845","0.0577","","","0.1357","0.1491","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154672","7.736","0.002","12.285","0.002","14.643","0.003","71.82","0.02","88.31","0.02","73.55","0.02","1265.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Szpilman13 (Sukanta)","","","- C32 H34 N O -","- C32 H34 N O -","- C64 H68 N2 O2 -","2","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.1133","0.0494","","","0.1239","0.1399","","","","","","0.842","","","","has coordinates","171347","2020-10-21","18:00:00",""
"7154673","7.2796","0.0001","27.9338","0.0006","10.3113","0.0002","90","","106.824","0.001","90","","2007.03","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 I2 Mn N5 O2 -","- C13 H23 I2 Mn N5 O2 -","- C52 H92 I8 Mn4 N20 O8 -","4","1","","Hamal, Sunil; D'huys, Thomas; Rowley, William F.; Vermeire, Kurt; Aquaro, Stefano; Frost, Brian J.; Schols, Dominique; Bell, Thomas W.","Metal complexes of pyridine-fused macrocyclic polyamines targeting the chemokine receptor CXCR4.","Organic & biomolecular chemistry","2015","13","42","10517","10526","10.1039/c5ob01557j","","","0.71073","MoKα","","0.0566","0.0497","","","0.1199","0.1233","","","","","","1.118","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154674","14.5669","0.0009","18.4411","0.001","15.6178","0.0007","90","","90.728","0.002","90","","4195.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Cl4 Mn2 N14 O1.5 -","- C32 H56 Cl4 Mn2 N14 O1.5 -","- C128 H224 Cl16 Mn8 N56 O6 -","4","1","","Hamal, Sunil; D'huys, Thomas; Rowley, William F.; Vermeire, Kurt; Aquaro, Stefano; Frost, Brian J.; Schols, Dominique; Bell, Thomas W.","Metal complexes of pyridine-fused macrocyclic polyamines targeting the chemokine receptor CXCR4.","Organic & biomolecular chemistry","2015","13","42","10517","10526","10.1039/c5ob01557j","","","0.71073","MoKα","","0.117","0.0597","","","0.1166","0.1351","","","","","","0.975","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154675","33.9815","0.0007","12.1081","0.0003","25.8046","0.0005","90","","117.073","0.001","90","","9454","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H31.5 Cl3.5 Mn N5 O0.5 -","- C19.5 H31.5 Cl3.5 Mn N5 O0.5 -","- C312 H504 Cl56 Mn16 N80 O8 -","16","2","","Hamal, Sunil; D'huys, Thomas; Rowley, William F.; Vermeire, Kurt; Aquaro, Stefano; Frost, Brian J.; Schols, Dominique; Bell, Thomas W.","Metal complexes of pyridine-fused macrocyclic polyamines targeting the chemokine receptor CXCR4.","Organic & biomolecular chemistry","2015","13","42","10517","10526","10.1039/c5ob01557j","","","0.71073","MoKα","","0.0385","0.0313","","","0.0804","0.0843","","","","","","1.062","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154676","10.2636","0.0018","10.7862","0.0018","11.475","0.002","96.25","0.003","98.454","0.003","104.549","0.003","1202.1","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(?)-(3aR,9aR)-rel-3a,4,9,9a-tetrahydro-4-[(1R)-1-N-benzylaminoethyl]-2-methyl-,4,9[1',2']-benzeno-1H-benz[f]isoindole-1,3(2H)-dione","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.0633","0.0535","","","0.1572","0.1655","","","","","","1.06","","","","has coordinates","171355","2020-10-21","18:00:00",""
"7154677","15.275","0.003","14.422","0.002","17.487","0.003","90","","90","","90","","3852.3","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethyl-trifluoroacetamido]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C23 H18 F3 N2 O3 -","- C23 H18 F3 N2 O3 -","- C184 H144 F24 N16 O24 -","8","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.15","0.0652","","","0.1398","0.1705","","","","","","0.81","","","","has coordinates","171355","2020-10-21","18:00:00",""
"7154678","14.954","0.0012","9.4917","0.0008","16.5072","0.0013","90","","107.913","0.005","90","","2229.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethyl-tert-butylcarbamato]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.1228","0.0517","","","0.1162","0.1555","","","","","","1.06","","","","has coordinates","171355","2020-10-21","18:00:00",""
"7154679","17.583","0.002","11.5915","0.0014","17.893","0.002","90","","90","","90","","3646.8","0.7","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethylacetamido]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C184 H176 N16 O24 -","8","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.0897","0.0506","","","0.118","0.147","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154680","12.173","0.003","17.375","0.004","18.275","0.004","61.92","0.003","71.547","0.003","87.263","0.003","3211.2","1.3","100","2","100","2","","","","","","","no","3","P -1","-P 1","2","C18Pycage","","","- C70 H116 Si2 -","- C70 H116 Si2 -","- C140 H232 Si4 -","2","1","","Shionari, Hirokuni; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","A pyrene-bridged macrocage showing no excimer fluorescence.","Organic & biomolecular chemistry","2015","13","42","10511","10516","10.1039/c5ob01644d","","","0.71073","MoKα","","0.0688","0.0575","","","0.1454","0.1553","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154681","6.354","0.0012","16.626","0.003","9.3688","0.0017","90","","100.456","0.002","90","","973.3","0.3","100","2","100","2","","","","","","","no","3","P 1 21/c 1","-P 2ybc","14","2,7-TMSpyrene","2,7-bis(trimethylsilyl)pyrene","","- C22 H26 Si2 -","- C22 H26 Si2 -","- C44 H52 Si4 -","2","0.5","","Shionari, Hirokuni; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","A pyrene-bridged macrocage showing no excimer fluorescence.","Organic & biomolecular chemistry","2015","13","42","10511","10516","10.1039/c5ob01644d","","","0.71073","MoKα","","0.0375","0.0331","","","0.0875","0.0905","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154682","7.5806","0.0003","14.495","0.0005","6.3109","0.0002","90","","90","","90","","693.45","0.04","132","2","132","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H5 N5 S -","- C5 H5 N5 S -","- C20 H20 N20 S4 -","4","1","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0292","0.0261","","","0.0624","0.0641","","","","","","1.065","","","","has coordinates","171343","2020-10-21","18:00:00",""
"7154683","3.9589","0.0003","10.9827","0.0008","15.3508","0.0012","90","","93.0963","0.0019","90","","666.47","0.09","132","2","132","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N6 -","- C5 H6 N6 -","- C20 H24 N24 -","4","1","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0435","0.0358","","","0.1078","0.1149","","","","","","1.056","","","","has coordinates","171343","2020-10-21","18:00:00",""
"7154684","13.1418","0.001","5.9625","0.0005","6.768","0.0006","90","","90","","90","","530.33","0.08","132","2","132","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H3 N5 O -","- C4 H3 N5 O -","- C16 H12 N20 O4 -","4","0.5","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0674","0.0429","","","0.0993","0.1109","","","","","","1.053","","","","has coordinates","171343","2020-10-21","18:00:00",""
"7154685","9.528","0.003","7.509","0.002","11.706","0.004","90","","99.729","0.007","90","","825.5","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Br N O4 -","- C18 H16 Br N O4 -","- C36 H32 Br2 N2 O8 -","2","1","","Zhang, Zhi-Pei; Dong, Nan; Li, Xin; Cheng, Jin-Pei","Highly enantioselective Michael addition reactions of 2-substituted benzofuran-3(2H)-ones to nitroolefins.","Organic & biomolecular chemistry","2015","13","39","9943","9947","10.1039/c5ob01691f","","","0.71075","MoKα","","0.0225","0.0197","","","0.0366","0.0368","","","","","","0.874","","","","has coordinates","162155","2020-10-21","18:00:00",""
"7154686","15.973","0.003","8.5673","0.0015","28.865","0.005","90","","93.316","0.004","90","","3943.4","1.2","373","2","373","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Br2 N4 O4 -","- C48 H36 Br2 N4 O4 -","- C192 H144 Br8 N16 O16 -","4","1","","Khan, Rehan; Idris, Muazzam; Tuncel, Dönüs","Synthesis and investigation of singlet oxygen production efficiency of photosensitizers based on meso-phenyl-2,5-thienylene linked porphyrin oligomers and polymers.","Organic & biomolecular chemistry","2015","13","42","10496","10504","10.1039/c5ob01435b","","","0.71073","MoKα","","0.0693","0.0549","","","0.1148","0.1218","","","","","","1.119","","","","has coordinates","171358","2020-10-21","18:00:00",""
"7154687","23.99","0.03","16.08","0.03","10.433","0.015","90","","102.51","0.07","90","","3929","11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Br2 N4 O4 -","- C48 H36 Br2 N4 O4 -","- C192 H144 Br8 N16 O16 -","4","0.5","","Khan, Rehan; Idris, Muazzam; Tuncel, Dönüs","Synthesis and investigation of singlet oxygen production efficiency of photosensitizers based on meso-phenyl-2,5-thienylene linked porphyrin oligomers and polymers.","Organic & biomolecular chemistry","2015","13","42","10496","10504","10.1039/c5ob01435b","","","0.71073","MoKα","","0.1023","0.0895","","","0.2083","0.216","","","","","","1.195","","","","has coordinates","171358","2020-10-21","18:00:00",""
"7154688","22.4744","0.0009","49.168","0.002","12.4218","0.0005","90","","90","","90","","13726.4","1","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C624 H624 N144 O48 -","48","3","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","1.54178","CuKα","","0.0892","0.0601","","","0.1599","0.21","","","","","","0.833","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154689","9.1046","0.0002","10.2134","0.0002","19.7287","0.0005","90","","90.687","0.001","90","","1834.42","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C84 H84 N12 O6 -","6","3","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.0421","0.0367","","","0.0841","0.0931","","","","","","0.959","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7154690","14.2584","0.0005","14.3343","0.0005","11.7845","0.0004","90","","90","","90","","2408.57","0.14","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C112 H112 N16 O8 -","8","2","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.046","0.0381","","","0.0976","0.1018","","","","","","1.028","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7154691","16.085","0.0012","15.4499","0.0015","25.045","0.002","90","","101.694","0.004","90","","6094.8","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H67 Br N8 O8 -","- C65 H67 Br N8 O8 -","- C260 H268 Br4 N32 O32 -","4","0.5","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.0943","0.0701","","","0.1978","0.2204","","","","","","1","","","","has coordinates","171345","2020-10-21","18:00:00",""
"7154692","9.858","0.005","10.06","0.005","15.468","0.008","107.265","0.015","98.346","0.015","94.368","0.016","1437.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25 Cl N2 O3 S -","- C33 H25 Cl N2 O3 S -","- C66 H50 Cl2 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1205","0.0569","","","0.1365","0.1599","","","","","","1.018","","","","has coordinates,has disorder","171340","2020-10-21","18:00:00",""
"7154693","9.769","0.0011","13.1644","0.0013","14.4577","0.0014","68.08","0.003","77.97","0.003","75.448","0.003","1655.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H28 Cl2 N2 O3 S -","- C39 H28 Cl2 N2 O3 S -","- C78 H56 Cl4 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.096","0.0519","","","0.1239","0.1466","","","","","","1.054","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154694","9.7111","0.001","13.1409","0.0015","14.4778","0.0016","68.243","0.003","77.852","0.003","74.805","0.003","1642.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H25 Cl3 N2 O3 S -","- C38 H25 Cl3 N2 O3 S -","- C76 H50 Cl6 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1022","0.0534","","","0.1174","0.1357","","","","","","1.022","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154695","10.008","0.0012","13.0276","0.0014","14.4607","0.0016","69.088","0.003","75.86","0.003","75.069","0.003","1677.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 Cl N2 O4 S -","- C40 H31 Cl N2 O4 S -","- C80 H62 Cl2 N4 O8 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.0849","0.0482","","","0.1164","0.1362","","","","","","1.052","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154696","10.6152","0.0019","12.5567","0.0019","15.206","0.002","70.076","0.004","71.09","0.005","65.406","0.005","1692.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H28 Cl4 N2 O4 S -","- C35 H28 Cl4 N2 O4 S -","- C70 H56 Cl8 N4 O8 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1815","0.0781","","","0.1723","0.2204","","","","","","1.037","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154697","10.8287","0.0012","12.2767","0.0012","14.9417","0.0016","70.307","0.003","71.694","0.003","64.943","0.003","1659.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H28 Cl3 F N2 O4 S -","- C35 H28 Cl3 F N2 O4 S -","- C70 H56 Cl6 F2 N4 O8 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.101","0.0599","","","0.1586","0.1849","","","","","","1.036","","","","has coordinates,has disorder","171340","2020-10-21","18:00:00",""
"7154698","10.1987","0.0013","12.6875","0.0015","13.8047","0.0018","102.851","0.004","96.021","0.004","101.52","0.004","1685.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 Cl2 N2 O3 S -","- C35 H26 Cl2 N2 O3 S -","- C70 H52 Cl4 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1356","0.065","","","0.1658","0.1865","","","","","","1.05","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154699","17.53","0.003","9.8","0.002","26.749","0.005","90","","92.39","0.03","90","","4591.3","1.5","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C157 H59 Cl3 N2 -","- C157 H59 Cl3 N2 -","- C314 H118 Cl6 N4 -","2","1","","Zhang, Bolong; White, Jonathan M.; Jones, David J.; Wong, Wallace W. H.","Regioselective synthesis of fullerene multiadducts via tether-directed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2015","13","42","10505","10510","10.1039/c5ob01630d","","","0.71073","Synchrotron","","0.1687","0.1435","","","0.3772","0.4076","","","","","","1.579","","","","has coordinates","171354","2020-10-21","18:00:00",""
"7154700","7.467","0.0013","13.272","0.002","16.898","0.003","90","","90","","90","","1674.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O2 S -","- C20 H16 O2 S -","- C80 H64 O8 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0363","0.0318","","","0.0852","0.0889","","","","","","1.045","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154701","9.8536","0.0002","23.1341","0.0005","8.1728","0.0002","90","","91.599","0.0011","90","","1862.3","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O4 S -","- C22 H18 O4 S -","- C88 H72 O16 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0694","0.0438","","","0.1087","0.1216","","","","","","1.044","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154702","15.1983","0.0006","7.2853","0.0003","14.9398","0.0005","90","","98.879","0.002","90","","1634.37","0.11","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.045","0.0351","","","0.096","0.1041","","","","","","1.04","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154703","16.8761","0.0006","16.8184","0.0006","7.2259","0.0003","90","","90","","90","","2050.92","0.13","304","2","304","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 Cl N O2 S -","- C25 H18 Cl N O2 S -","- C100 H72 Cl4 N4 O8 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0343","0.0291","","","0.0739","0.0774","","","","","","1.05","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154704","16.864","0.003","7.2505","0.0013","32.735","0.006","90","","90","","90","","4002.6","1.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H16 Cl N O2 S -","- C25 H16 Cl N O2 S -","- C200 H128 Cl8 N8 O16 S8 -","8","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.2009","0.1412","","","0.3957","0.4273","","","","","","1.14","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154705","6.1577","0.001","7.3665","0.0013","11.253","0.002","90","","91.935","0.005","90","","510.15","0.15","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-3-(thiophen-3-yl)-1,3-dihydro-2-benzofuran-1-one","","- C12 H8 O2 S -","- C12 H8 O2 S -","- C24 H16 O4 S2 -","2","1","","Yohda, Masaaki; Yamamoto, Yasunori","Enantioselective addition of arylboronic acids to methyl 2-formylbenzoates by using a ruthenium/Me-BIPAM catalyst for synthesis of chiral 3-aryl-isobenzofuranones.","Organic & biomolecular chemistry","2015","13","44","10874","10880","10.1039/c5ob01661d","","","0.71075","MoKα","","","0.0442","","","","0.1171","","","","","","0.997","","","","has coordinates","171339","2020-10-21","18:00:00",""
"7154706","9.0781","0.0003","15.5615","0.0006","12.3439","0.0005","90","","95.119","0.001","90","","1736.85","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1 R,3a S,4 S,7 R,7a R)-2-benzoyl-N-(tert-butyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindole-1-carboxamide","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","de Graaff, C.; Bensch, L.; van Lint, Matthijs J.; Ruijter, E.; Orru, R. V. A.","IBX-mediated oxidation of unactivated cyclic amines: application in highly diastereoselective oxidative Ugi-type and aza-Friedel-Crafts reactions.","Organic & biomolecular chemistry","2015","13","40","10108","10112","10.1039/c5ob01519g","","","1.54184","CuKα","","0.0338","0.033","","","0.0809","0.0817","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154707","13.5456","0.0013","10.4106","0.001","27.394","0.003","90","","96.946","0.002","90","","3834.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-MeOH","","- C40 H35 Cl N10 O8.5 -","- C40 H35 Cl N10 O8.5 -","- C160 H140 Cl4 N40 O34 -","4","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.1096","0.0893","","","0.2289","0.2431","","","","","","1.087","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154708","13.4052","0.0015","10.3199","0.0012","28.307","0.003","90","","94.87","0.002","90","","3901.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","21-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39.001 H34.002 Cl2.002 N10 O9 -","- C156.004 H136.008 Cl8.008 N40 O36 -","4","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.1001","0.0845","","","0.2178","0.228","","","","","","1.11","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154709","13.4675","0.0016","10.3791","0.0012","13.7432","0.0016","90","","95.61","0.002","90","","1911.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","22-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0616","0.0532","","","0.1398","0.1496","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154710","13.5062","0.0016","10.3752","0.0012","13.7885","0.0016","90","","95.675","0.003","90","","1922.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","23-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0561","0.0517","","","0.135","0.139","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154711","13.4731","0.0013","10.3806","0.001","13.7581","0.0014","90","","95.674","0.002","90","","1914.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","24-H2O","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0586","0.0535","","","0.1419","0.1465","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154712","6.8637","0.001","11.7729","0.0016","13.271","0.0019","64.589","0.007","84.416","0.008","82.273","0.009","958.9","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H25 O -","- C25 H24 O2 -","- C50 H48 O4 -","2","1","","Rao, V. Kameswara; Kaswan, Pinku; Parang, Keykavous; Kumar, Anil","Indium triflate catalyzed microwave-assisted alkenylation of methoxyphenols: synthesis of indenes and chromenes.","Organic & biomolecular chemistry","2015","13","45","11072","11077","10.1039/c5ob01734c","","","0.71073","MoKα","","0.0612","0.044","","","0.1393","0.1513","","","","","","1.041","","","","has coordinates","171331","2020-10-21","18:00:00",""
"7154713","17.682","","10.244","","11.523","","90","","97.04","","90","","2071.48","","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Rao, V. Kameswara; Kaswan, Pinku; Parang, Keykavous; Kumar, Anil","Indium triflate catalyzed microwave-assisted alkenylation of methoxyphenols: synthesis of indenes and chromenes.","Organic & biomolecular chemistry","2015","13","45","11072","11077","10.1039/c5ob01734c","","","0.71073","MoKα","","0.0856","0.0389","","","0.0803","0.0898","","","","","","0.82","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154714","9.895","0.003","11.505","0.005","14.869","0.004","71.806","0.005","80.889","0.002","82.139","0.005","1580.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 F6 N5 O2 P -","- C36 H28 F6 N5 O2 P -","- C72 H56 F12 N10 O4 P2 -","2","1","","Kumar, Rahul; Sandhu, Sana; Hundal, Geeta; Singh, Prabhpreet; Walia, Amandeep; Vanita, Vanita; Kumar, Subodh","A catalytic chemodosimetric approach for detection of nanomolar cyanide ions in water, blood serum and live cell imaging.","Organic & biomolecular chemistry","2015","13","45","11129","11139","10.1039/c5ob01617g","","","0.71073","MoKα","","0.0756","0.0564","","","0.1374","0.149","","","","","","1.057","","","","has coordinates","171332","2020-10-21","18:00:00",""
"7154715","9.816","0.004","11.381","0.004","13.411","0.006","99.225","0.019","92.06","0.02","100.585","0.019","1450.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N3 O3 -","- C32 H23 N3 O3 -","- C64 H46 N6 O6 -","2","1","","Kumar, Rahul; Sandhu, Sana; Hundal, Geeta; Singh, Prabhpreet; Walia, Amandeep; Vanita, Vanita; Kumar, Subodh","A catalytic chemodosimetric approach for detection of nanomolar cyanide ions in water, blood serum and live cell imaging.","Organic & biomolecular chemistry","2015","13","45","11129","11139","10.1039/c5ob01617g","","","0.71073","MoKα","","0.0611","0.0431","","","0.1047","0.1103","","","","","","1.067","","","","has coordinates","171332","2020-10-21","18:00:00",""
"7154716","10.2728","0.0012","10.8678","0.0013","11.397","0.0013","110.392","0.005","108.076","0.005","91.105","0.005","1122.1","0.2","301.5","","301.5","","","","","","","","","4","P -1","-P 1","2","","methyl 3-(morpholino(phenyl)methyl)-2-phenylindolizine-1-carboxylate","","- C27 H26 N2 O3 -","- C27 H26 N2 O3 -","- C54 H52 N4 O6 -","2","1","","Jung, Youngeun; Kim, Ikyon","C3 functionalization of indolizines via In(iii)-catalyzed three-component reaction.","Organic & biomolecular chemistry","2015","13","45","10986","10994","10.1039/c5ob01657f","","","0.71073","MoKα","","0.0787","0.0479","","","0.1152","0.1309","","","","","","1.019","","","","has coordinates","171334","2020-10-21","18:00:00",""
"7154717","6.707","0.0001","9.455","0.0002","12.934","0.0003","110.616","0.001","95.007","0.001","95.594","0.001","757.49","0.03","293","2","293","2","","","","","","","","7","P -1","-P 1","2","BODIPY1","1-[4-(6-bromobenzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta-[c]quinolin-8-yl]ethanone","","- C16 H10 B Br F2 N2 O2 -","- C16 H10 B Br F2 N2 O2 -","- C32 H20 B2 Br2 F4 N4 O4 -","2","1","","Papalia, T.; Lappano, R.; Barattucci, A.; Pisano, A.; Bruno, G.; Santolla, M. F.; Campagna, S.; De Marco, P.; Puntoriero, F.; De Francesco, E. M.; Rosano, C.; Maggiolini, M.; Bonaccorsi, P.","A Bodipy as a luminescent probe for detection of the G protein estrogen receptor (GPER).","Organic & biomolecular chemistry","2015","13","42","10437","10441","10.1039/c5ob01827g","","","0.71073","MoKα","","0.0345","0.0265","","","0.0608","0.0638","","","","","","1.016","","","","has coordinates","171359","2020-10-21","18:00:00",""
"7154718","10.6388","0.0003","9.0437","0.0003","24.8594","0.0008","90","","90","","90","","2391.83","0.13","99.97","0.1","99.97","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H30 N2 O5 -","- C28 H30 N2 O5 -","- C112 H120 N8 O20 -","4","1","","Marrs, Calum N.; Evans, Nicholas H.","The rapid synthesis and dynamic behaviour of an isophthalamide [2]catenane.","Organic & biomolecular chemistry","2015","13","45","11021","11025","10.1039/c5ob01770j","","x-ray","1.54184","CuKα","","0.0298","0.0288","","","0.0707","0.072","","","","","","1.043","","","","has coordinates","171333","2020-10-21","18:00:00",""
"7154719","21.3381","0.0009","10.9654","0.0003","25.5553","0.0009","90","","113.186","0.005","90","","5496.5","0.4","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H61.56 Cl4.5 N4 O10 -","- C57.5 H61.561 Cl4.5 N4 O10 -","- C230 H246.244 Cl18 N16 O40 -","4","1","","Marrs, Calum N.; Evans, Nicholas H.","The rapid synthesis and dynamic behaviour of an isophthalamide [2]catenane.","Organic & biomolecular chemistry","2015","13","45","11021","11025","10.1039/c5ob01770j","","x-ray","1.54184","CuKα","","0.082","0.0504","","","0.1071","0.1225","","","","","","1.024","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154720","8.7569","0.0006","17.2402","0.0013","12.0556","0.0009","90","","103.439","0.004","90","","1770.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl2 Fe N3 O -","- C18 H14 Cl2 Fe N3 O -","- C72 H56 Cl8 Fe4 N12 O4 -","4","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.0647","0.0375","","","0.1098","0.1315","","","","","","0.89","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154721","8.5037","0.0011","8.8542","0.0013","13.785","0.002","90.32","0.007","103.174","0.006","101.734","0.006","988","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl2 Fe N3 O -","- C22 H16 Cl2 Fe N3 O -","- C44 H32 Cl4 Fe2 N6 O2 -","2","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.06","0.0405","","","0.1143","0.1382","","","","","","1.153","","","","has coordinates","171348","2020-10-21","18:00:00",""
"7154722","9.942","0.005","16.486","0.005","22.002","0.005","90","0.005","102.222","0.005","90","0.005","3524","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl3 Fe N6 O6 -","- C37 H30 Cl3 Fe N6 O6 -","- C148 H120 Cl12 Fe4 N24 O24 -","4","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.1034","0.0623","","","0.1638","0.1898","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154723","28.134","0.008","12.016","0.004","20.69","0.007","90","","97.965","0.011","90","","6927","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Fe N7 O6 -","- C38 H34 Fe N7 O6 -","- C304 H272 Fe8 N56 O48 -","8","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.0986","0.0623","","","0.1792","0.2055","","","","","","1.209","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154724","8.708","0.004","6.286","0.003","17.049","0.008","90","","92.583","0.007","90","","932.3","0.8","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C40 H38 Cl2 N4 O8 -","2","1","","Zhang, Chun-Lin; Wang, Dong-Ling; Chen, Kun-Quan; Ye, Song","N-Heterocyclic carbene-catalyzed [3 + 3] cyclocondensation of bromoenals with hydrazones: highly enantioselective synthesis of dihydropyridazones.","Organic & biomolecular chemistry","2015","13","46","11255","11262","10.1039/c5ob01748c","","","0.71073","MoKα","","0.0494","0.0452","","","0.1359","0.1396","","","","","","1.016","","","","has coordinates","171326","2020-10-21","18:00:00",""
"7154725","5.2823","0.0003","10.763","0.0007","27.6349","0.0017","90","","90","","90","","1571.14","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3R)-1-phenyl-3-(phenylamino)hexane-1,2-diol","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Luo, Lan; Yamamoto, Hisashi","Synthesis of virtually enantiopure aminodiols with three adjacent stereogenic centers by epoxidation and ring-opening.","Organic & biomolecular chemistry","2015","13","42","10466","10470","10.1039/c5ob01808k","","","1.54178","CuKα","","0.0661","0.051","","","0.1063","0.1134","","","","","","1.087","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154726","23.8959","0.0008","5.8737","0.0002","27.367","0.001","90","","111.579","0.0013","90","","3571.9","0.2","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F N2 -","- C23 H21 F N2 -","- C184 H168 F8 N16 -","8","2","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","anti-Selective aminofluorination of alkenes with amidines mediated by hypervalent iodine(iii) reagents.","Organic & biomolecular chemistry","2016","14","24","5481","5485","10.1039/c5ob01854d","","","0.71073","MoKα","","0.0846","0.0547","","","0.1238","0.1447","","","","","","1.035","","","","has coordinates","183760","2020-10-21","18:00:00",""
"7154727","8.59","0.0006","9.4711","0.0007","12.6798","0.001","107.793","0.003","92.053","0.003","114.166","0.003","880.65","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H34 B2 O4 -","- C45 H34 B2 O4 -","- C45 H34 B2 O4 -","1","0.5","","Zhu, Jianan; Wei, Ying; Lin, Dongqing; Ou, Changjin; Xie, Linghai; Zhao, Yu; Huang, Wei","One-pot synthesis of benzoxaborole derivatives from the palladium-catalyzed cross-coupling reaction of alkoxydiboron with unprotected o-bromobenzylalcohols.","Organic & biomolecular chemistry","2015","13","46","11362","11368","10.1039/c5ob01781e","","","0.71073","MoKα","","0.127","0.0531","","","0.0993","0.1261","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154728","12.2189","0.001","5.8949","0.0004","18.2917","0.0013","90","","105.995","0.002","90","","1266.53","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Br N5 -","- C10 H16 Br N5 -","- C40 H64 Br4 N20 -","4","1","","Zhang, Chen; Huang, Bo; Bao, Ai-Qing; Li, Xiao; Guo, Shunna; Zhang, Jin-Quan; Xu, Jun-Zhi; Zhang, Rihao; Cui, Dong-Mei","Copper-catalyzed arylation of biguanide derivatives via C-N cross-coupling reactions.","Organic & biomolecular chemistry","2015","13","47","11432","11437","10.1039/c5ob01258a","","","0.71073","MoKα","","0.1608","0.1344","","","0.4046","0.4318","","","","","","1.711","","","","has coordinates","171351","2020-10-21","18:00:00",""
"7154729","10.7823","0.0004","11.5658","0.0003","11.9326","0.0004","90","","90.08","0.003","90","","1488.06","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 I N5 O -","- C11 H18 I N5 O -","- C44 H72 I4 N20 O4 -","4","1","","Zhang, Chen; Huang, Bo; Bao, Ai-Qing; Li, Xiao; Guo, Shunna; Zhang, Jin-Quan; Xu, Jun-Zhi; Zhang, Rihao; Cui, Dong-Mei","Copper-catalyzed arylation of biguanide derivatives via C-N cross-coupling reactions.","Organic & biomolecular chemistry","2015","13","47","11432","11437","10.1039/c5ob01258a","","","0.71073","MoKα","","0.0337","0.0276","","","0.0634","0.0669","","","","","","1.001","","","","has coordinates","171351","2020-10-21","18:00:00",""
"7154730","7.0673","0.0014","14.647","0.003","15.48","0.003","90","","90","","90","","1602.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","1","","Disetti, Paolo; Moccia, Maria; Salazar Illera, Diana; Suresh, Surisetti; Adamo, Mauro F. A.","Catalytic enantioselective addition of isocyanoacetate to 3-methyl-4-nitro-5-styrylisoxazoles under phase transfer catalysis conditions.","Organic & biomolecular chemistry","2015","13","43","10609","10612","10.1039/c5ob01880c","","","0.71073","MoKα","","0.0338","0.0333","","","0.0928","0.0932","","","","","","1.05","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154731","19.1544","0.0007","28.1718","0.0011","19.2631","0.0007","90","","104.865","0.001","90","","10046.8","0.7","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H48 Cl2 N6 S2 -","- C53 H48 Cl2 N6 S2 -","- C424 H384 Cl16 N48 S16 -","8","1","","Maeda, Chihiro; Kurihara, Kosuke; Masuda, Motoki; Yoshioka, Naoki","Effects of cyano, ethynyl and ethylenedioxy groups on the photophysical properties of carbazole-based porphyrins.","Organic & biomolecular chemistry","2015","13","46","11286","11291","10.1039/c5ob01824b","","","0.71073","MoKα","","0.0982","0.0784","","","0.2188","0.2358","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154732","12.3573","0.0005","13.8029","0.0001","17.2234","0.0013","71.455","0.015","82.166","0.016","64.049","0.014","2504.3","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.58 H68.68 Cl0.95 N2 O4 S2 -","- C58.542 H68.598 Cl0.972 N2 O4 S2 -","- C117.084 H137.196 Cl1.944 N4 O8 S4 -","2","1","","Maeda, Chihiro; Kurihara, Kosuke; Masuda, Motoki; Yoshioka, Naoki","Effects of cyano, ethynyl and ethylenedioxy groups on the photophysical properties of carbazole-based porphyrins.","Organic & biomolecular chemistry","2015","13","46","11286","11291","10.1039/c5ob01824b","","","1.54187","CuKα","","0.0678","0.0584","","","0.1655","0.172","","","","","","1.052","","","","has coordinates,has disorder","171324","2020-10-21","18:00:00",""
"7154733","11.2256","0.0013","19.596","0.003","7.9601","0.0012","90","","90","","90","","1751","0.4","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H24 O Si -","- C20 H24 O Si -","- C80 H96 O4 Si4 -","4","1","","Rigsbee, E. M.; Zhou, C.; Rasik, C. M.; Spitz, A. Z.; Nichols, A. J.; Brown, M. K.","Lewis acid-promoted [2 + 2] cycloadditions of alkenes with aryl ketenes.","Organic & biomolecular chemistry","2016","14","24","5477","5480","10.1039/c5ob01837d","","","0.71073","MoKα","","0.0418","0.0354","","0.0944","0.0871","0.0944","","","","","","1.0075","","","","has coordinates","183767","2020-10-21","18:00:00",""
"7154734","15.2618","0.0006","13.0327","0.0005","17.7452","0.0008","90","","108.078","0.0012","90","","3355.3","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H26 Cu N2 O3 -","- C40 H26 Cu N2 O5.5 -","- C160 H104 Cu4 N8 O22 -","4","2","","Naganawa, Yuki; Aoyama, Tomotaka; Nishiyama, Hisao","Cu(ii)-catalyzed enantioselective oxygen atom transfer from oxaziridine to oxindole derivatives with chiral phenanthroline.","Organic & biomolecular chemistry","2015","13","47","11499","11506","10.1039/c5ob01840d","","","0.71073","MoKa","","0.0603","0.0577","","","0.1798","0.1826","","","","","","1.507","","","","has coordinates","171350","2020-10-21","18:00:00",""
"7154735","9.123","0.0018","14.399","0.003","15.26","0.003","90","","90","","90","","2004.6","0.7","297","","297","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O9 -","- C17 H23 N O9 -","- C68 H92 N4 O36 -","4","1","","Thomas, Baptiste; Pifferi, Carlo; Daskhan, Gour Chand; Fiore, Michele; Berthet, Nathalie; Renaudet, Olivier","Divergent and convergent synthesis of GalNAc-conjugated dendrimers using dual orthogonal ligations.","Organic & biomolecular chemistry","2015","13","47","11529","11538","10.1039/c5ob01870f","","x-ray","1.54184","Cukα","","0.0789","0.0456","","","0.1032","0.116","","","","","","1.085","","","","has coordinates","171352","2020-10-21","18:00:00",""
"7154736","10.3759","0.0006","5.9408","0.0003","37.263","0.003","90","","90","","90","","2296.9","0.3","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H28 N12 -","- C22 H28 N12 -","- C88 H112 N48 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Conformational promiscuity in triazolamers derived from quaternary amino acids mimics peptide behaviour.","Organic & biomolecular chemistry","2015","13","44","10797","10801","10.1039/c5ob01461a","","","0.71073","MoKα","","0.0589","0.0496","","","0.1208","0.1286","","","","","","1.041","","","","has coordinates","171414","2020-10-21","18:00:00",""
"7154737","5.8503","0.0009","11.3224","0.0012","24.444","0.004","90","","90.072","0.013","90","","1619.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H39 N15 O2 -","- C30 H39 N15 O2 -","- C60 H78 N30 O4 -","2","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Conformational promiscuity in triazolamers derived from quaternary amino acids mimics peptide behaviour.","Organic & biomolecular chemistry","2015","13","44","10797","10801","10.1039/c5ob01461a","","","0.71073","MoKα","","0.1158","0.0719","","","0.1638","0.183","","","","","","0.926","","","","has coordinates","171341","2020-10-21","18:00:00",""
"7154738","9.1205","0.0007","22.1481","0.0018","11.2162","0.001","90","","100.14","0.008","90","","2230.3","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O5 S -","- C25 H22 N2 O5 S -","- C100 H88 N8 O20 S4 -","4","1","","Bakthadoss, Manickam; Vinayagam, Varathan","A novel protocol for the facile construction of tetrahydroquinoline fused tricyclic frameworks via an intramolecular 1,3-dipolar nitrile oxide cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","39","10007","10014","10.1039/c5ob01060h","","","0.71073","MoKα","","0.1176","0.0641","","","0.1317","0.1605","","","","","","1.025","","","","has coordinates","206162","2020-10-21","18:00:00",""
"7154739","9.398","0.002","9.776","0.002","24.059","0.006","90","","90","","90","","2210.4","0.9","296","2","296","2","","","","","","","synthatic","6","P 21 21 21","P 2ac 2ab","19","3-(2-chlorophenyl)-5-tosyl-3,3a,4,5-tetrahydroisoxazolo [4,3-c] quinoline - 3a- carbonitrile","3-(2-chlorophenyl)-5-tosyl-3,3a,4,5-tetrahydroisoxazolo [4,3-c] quinoline - 3a- carbonitrile","","- C24 H18 Cl N3 O3 S -","- C24 H18 Cl N3 O3 S -","- C96 H72 Cl4 N12 O12 S4 -","4","1","","Bakthadoss, Manickam; Vinayagam, Varathan","A novel protocol for the facile construction of tetrahydroquinoline fused tricyclic frameworks via an intramolecular 1,3-dipolar nitrile oxide cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","39","10007","10014","10.1039/c5ob01060h","","","1.54178","CuKα","","0.09","0.0573","","","0.1529","0.1969","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154740","18.6953","0.0004","18.6953","0.0004","9.2303","0.0002","90","","90","","120","","2793.9","0.1","123","2","123","2","","","","","","","","4","P -3","-P 3","147","","","","- C21 H27 N O -","- C21 H27 N O -","- C126 H162 N6 O6 -","6","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","1.5418","CuKα","","0.0562","0.0477","","","0.1266","0.1352","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154741","23.0565","0.0017","27.3947","0.0017","11.6346","0.0009","90","","90","","90","","7348.7","0.9","123","2","123","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C21 H27 N O -","- C21 H27 N O -","- C336 H432 N16 O16 -","16","2","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0776","0.0511","","","0.0847","0.0942","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154742","17.524","0.002","6.4455","0.0006","19.9254","0.0016","90","","99.422","0.009","90","","2220.2","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 N O3 -","- C23 H35 N O3 -","- C92 H140 N4 O12 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","1.5418","CuKα","","0.1198","0.0759","","","0.1942","0.234","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154743","18.861","0.001","7.193","0.0003","13.7442","0.0006","90","","90","","90","","1864.64","0.15","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H28 Cl N O -","- C21 H28 Cl N O -","- C84 H112 Cl4 N4 O4 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0332","0.03","","","0.0691","0.0711","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154744","16.8197","0.0014","6.2849","0.0005","18.193","0.0014","90","","93.24","0.007","90","","1920.1","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 F3 N O1.5 -","- C21 H25 F3 N O1.5 -","- C84 H100 F12 N4 O6 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0727","0.0547","","","0.1108","0.1176","","","","","","1.144","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154745","17.8003","0.0004","6.1791","0.0002","17.0864","0.0003","90","","101.206","0.002","90","","1843.5","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 F3 N O -","- C21 H24 F3 N O -","- C84 H96 F12 N4 O4 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0506","0.0404","","","0.0932","0.0999","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154746","9.0335","0.0003","9.8976","0.0003","11.7319","0.0003","95.431","0.003","101.143","0.003","115.147","0.003","912.99","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 F3 N O -","- C21 H24 F3 N O -","- C42 H48 F6 N2 O2 -","2","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0439","0.0378","","","0.0956","0.1005","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154747","8.3916","0.0006","10.5116","0.0005","9.3538","0.0006","90","","101.449","0.006","90","","808.67","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 F3 N O -","- C7 H12 F3 N O -","- C28 H48 F12 N4 O4 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0678","0.0436","","","0.0946","0.1093","","","","","","1.051","","","","has coordinates","176190","2020-10-21","18:00:00",""
"7154748","18.151","0.004","9.375","0.002","20.204","0.004","90","","95.666","0.004","90","","3421.2","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 N3 O6 -","- C39 H35 N3 O6 -","- C156 H140 N12 O24 -","4","1","","Sarkar, Rajib; Chaudhuri, Tandrima; Karmakar, Animesh; Mukhopadhyay, Chhanda","Synthesis and photophysics of selective functionalized π-conjugated, blue light emitting, highly fluorescent C7-imidazo indolizine derivatives.","Organic & biomolecular chemistry","2015","13","48","11674","11686","10.1039/c5ob01646k","","","0.71073","MoKα","","0.0951","0.0666","","","0.2","0.2365","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154749","8.685","0.003","14.214","0.004","14.72","0.004","90.883","0.004","105.896","0.004","100.876","0.003","1711.9","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 Br N3 O6 -","- C35 H26 Br N3 O8 -","- C70 H52 Br2 N6 O16 -","2","1","","Sarkar, Rajib; Chaudhuri, Tandrima; Karmakar, Animesh; Mukhopadhyay, Chhanda","Synthesis and photophysics of selective functionalized π-conjugated, blue light emitting, highly fluorescent C7-imidazo indolizine derivatives.","Organic & biomolecular chemistry","2015","13","48","11674","11686","10.1039/c5ob01646k","","","0.71073","MoKα","","0.1335","0.1213","","","0.3624","0.3775","","","","","","1.779","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154750","23.3264","0.0013","8.0732","0.0005","10.6434","0.0006","90","","92.206","0.005","90","","2002.9","0.2","298","2","298","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Methyl 5-ethoxy-1-(4-fluorobenzyl)-3-(4-methoxyphenyl) -pyrrole-2-carboxylate","","- C22 H22 F N O4 -","- C22 H22 F N O4 -","- C88 H88 F4 N4 O16 -","4","1","","de la Cruz, Fabiola N.; López, Julio; Jiménez-Halla, J Óscar C; Flores-Álamo, Marcos; Tamaríz, Joaquín; Delgado, Francisco; Vázquez, Miguel A","Synthesis of novel polysubstituted N-benzyl-1H-pyrroles via a cascade reaction of alkynyl Fischer carbenes with α-imino glycine methyl esters.","Organic & biomolecular chemistry","2015","13","48","11753","11760","10.1039/c5ob01655j","","x-ray","0.71073","MoKα","","0.0749","0.0486","","","0.1156","0.1308","","","","","","1.026","","","","has coordinates","171328","2020-10-21","18:00:00",""
"7154751","14.9722","0.0005","15.3987","0.0005","21.4056","0.0006","96.271","0.002","101.891","0.002","99.527","0.002","4709.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H74 N2 O2 -","- C54 H74 N2 O2 -","- C216 H296 N8 O8 -","4","2","","Rawat, Varun; Press, Konstantin; Goldberg, Israel; Vigalok, Arkadi","Straightforward synthesis and catalytic applications of rigid N,O-type calixarene ligands.","Organic & biomolecular chemistry","2015","13","46","11189","11193","10.1039/c5ob01987g","","","0.71073","MoKα","","0.0682","0.0458","","","0.1126","0.1264","","","","","","0.993","","","","has coordinates","171325","2020-10-21","18:00:00",""
"7154752","14.4979","0.0013","12.8321","0.0012","30.827","0.003","90","","99.131","0.004","90","","5662.3","0.9","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 Cl2 N4 O2 Ti -","- C62 H70 Cl2 N4 O2 Ti -","- C248 H280 Cl8 N16 O8 Ti4 -","4","1","","Rawat, Varun; Press, Konstantin; Goldberg, Israel; Vigalok, Arkadi","Straightforward synthesis and catalytic applications of rigid N,O-type calixarene ligands.","Organic & biomolecular chemistry","2015","13","46","11189","11193","10.1039/c5ob01987g","","","0.71073","MoKα","","0.0616","0.0427","","","0.0949","0.1044","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154753","21.982","0.001","12.4352","0.0006","19.3445","0.0013","90","","123.724","0.001","90","","4398","0.4","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 N4 O2 -","- C50 H60 N4 O2 -","- C200 H240 N16 O8 -","4","0.5","","Rawat, Varun; Press, Konstantin; Goldberg, Israel; Vigalok, Arkadi","Straightforward synthesis and catalytic applications of rigid N,O-type calixarene ligands.","Organic & biomolecular chemistry","2015","13","46","11189","11193","10.1039/c5ob01987g","","","0.71073","MoKα","","0.0781","0.0705","","","0.208","0.2185","","","","","","0.984","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154754","8.8259","0.0013","14.64","0.002","19.755","0.003","90","","90","","90","","2552.6","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N O4 S -","- C27 H24 F3 N O4 S -","- C108 H96 F12 N4 O16 S4 -","4","1","","Zhao, Yingying; Wang, Haolong; Li, Xincheng; Wang, Dongping; Xin, Xiaoyi; Wan, Boshun","Selective synthesis of functionalized pyrroles from 3-aza-1,5-enynes.","Organic & biomolecular chemistry","2015","14","2","526","541","10.1039/c5ob01887k","","","0.71073","MoKα","","0.0472","0.0371","","","0.0961","0.102","","","","","","1.027","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7154755","7.7634","0.0011","12.5816","0.0016","17.744","0.002","74.284","0.003","88.867","0.003","82.156","0.003","1652.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","2","","Zhao, Yingying; Wang, Haolong; Li, Xincheng; Wang, Dongping; Xin, Xiaoyi; Wan, Boshun","Selective synthesis of functionalized pyrroles from 3-aza-1,5-enynes.","Organic & biomolecular chemistry","2015","14","2","526","541","10.1039/c5ob01887k","","","0.71073","MoKα","","0.076","0.0584","","","0.1561","0.1732","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154756","5.927","0.005","8.999","0.005","13.598","0.005","106.549","0.005","97.092","0.005","94.09","0.005","685.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dimethyl 5-chloro-2-(2-diazoacetyl)phenylphosphoramidate","","- C10 H11 Cl N3 O4 P -","- C10 H11 Cl N3 O4 P -","- C20 H22 Cl2 N6 O8 P2 -","2","1","","Pramanik, Mukund M. D.; Rastogi, Namrata","Synthesis of α-diazo-β-keto esters, phosphonates and sulfones via acylbenzotriazole-mediated acylation of a diazomethyl anion.","Organic & biomolecular chemistry","2015","13","47","11567","11571","10.1039/c5ob01975c","","","0.71069","MoKα","","0.1159","0.0565","","","0.1252","0.1463","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154757","12.82","0.0005","14.667","0.0007","12.6709","0.0007","90","","101.774","0.005","90","","2332.4","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[3+2] + DA product","compound 18","","- C26 H33 Cl O4 -","- C26 H33 Cl O4 -","- C104 H132 Cl4 O16 -","4","1","","Yang, Hongzhi; Liu, Xue; Li, Qingong; Li, Longbo; Zhang, Jing-Ren; Tang, Yefeng","Total synthesis and preliminary SAR study of (±)-merochlorins A and B.","Organic & biomolecular chemistry","2015","14","1","198","205","10.1039/c5ob01946j","","","0.7107","MoKα","","0.0833","0.0488","","","0.0944","0.1114","","","","","","1.03","","","","has coordinates","176199","2020-10-21","18:00:00",""
"7154758","9.418","0.002","10.301","0.003","10.919","0.003","75.398","0.015","77.071","0.016","72.538","0.015","965.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","[3+2] product","compound 8","","- C21 H27 Cl O2 -","- C21 H27 Cl O2 -","- C42 H54 Cl2 O4 -","2","1","","Yang, Hongzhi; Liu, Xue; Li, Qingong; Li, Longbo; Zhang, Jing-Ren; Tang, Yefeng","Total synthesis and preliminary SAR study of (±)-merochlorins A and B.","Organic & biomolecular chemistry","2015","14","1","198","205","10.1039/c5ob01946j","","","0.71073","MoKα","","0.0762","0.0654","","","0.1469","0.153","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154759","10.9164","0.0003","16.2651","0.0004","19.0039","0.0005","90","","93.2134","0.0009","90","","3368.96","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F6 N3 P -","- C36 H44 F6 N3 P -","- C144 H176 F24 N12 P4 -","4","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","0.71073","MoKα","","0.0533","0.0482","","","0.1204","0.1252","","","","","","1.059","","","","has coordinates,has disorder","176146","2020-10-21","18:00:00",""
"7154760","11.1337","0.0005","24.2066","0.001","15.0351","0.0006","90","","107.57","0.001","90","","3863.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H45 F6 N3 O6 S2 -","- C38 H45 F6 N3 O6 S2 -","- C152 H180 F24 N12 O24 S8 -","4","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","0.71073","MoKα","","0.052","0.0372","","","0.0899","0.0989","","","","","","1.039","","","","has coordinates","176146","2020-10-21","18:00:00",""
"7154761","10.9261","0.0005","12.7024","0.0005","17.0382","0.0007","90","","96.0531","0.0013","90","","2351.51","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Br0.68 Cl0.32 N2 O4 S2 -","- C22 H29 Br0.682 Cl0.319 N2 O4 S2 -","- C88 H116 Br2.728 Cl1.276 N8 O16 S8 -","4","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","1.54178","CuKα","","0.0505","0.0488","","","0.1115","0.1124","","","","","","1.098","","","","has coordinates,has disorder","176146","2020-10-21","18:00:00",""
"7154762","19.6192","0.0013","19.6192","0.0013","22.6973","0.0015","90","","90","","120","","7566","0.9","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H22 Br6 N3 -","- C8 H19 Br3.5 N3 -","- C144 H342 Br63 N54 -","18","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","0.71073","MoKα","","0.0547","0.045","","","0.1347","0.1404","","","","","","1.095","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154763","5.9435","0.0004","12.4041","0.0008","16.5108","0.0011","90","","92.519","0.004","90","","1216.06","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N4 O8 -","- C24 H26 N4 O8 -","- C48 H52 N8 O16 -","2","1","","Muthukumarasamy, Kalai Mangai; Handore, Kishor L.; Kakade, Dipti N.; Shinde, Madhuri V.; Ranjan, Shashi; Kumar, Naveen; Sehrawat, Seema; Sachidanandan, Chetana; Reddy, D. Srinivasa","Identification of noreremophilane-based inhibitors of angiogenesis using zebrafish assays.","Organic & biomolecular chemistry","2016","14","5","1569","1578","10.1039/c5ob01594d","","","0.71073","MoKα","","0.0702","0.0545","","","0.1114","0.1181","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154764","8.7898","0.0008","21.266","0.002","10.9725","0.0011","90","","106.651","0.002","90","","1965","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl N O2 -","- C24 H20 Cl N O2 -","- C96 H80 Cl4 N4 O8 -","4","1","","Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian","Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.","Organic & biomolecular chemistry","2015","14","2","564","569","10.1039/c5ob01950h","","","0.71073","MoKα","","0.0563","0.0397","","","0.1192","0.1344","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154765","15.3958","0.0019","9.1841","0.0011","16.013","0.002","90","","116.983","0.002","90","","2017.7","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C96 H80 Br4 N4 O8 -","4","1","","Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian","Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.","Organic & biomolecular chemistry","2015","14","2","564","569","10.1039/c5ob01950h","","","0.71073","MoKα","","0.0303","0.0268","","","0.0704","0.072","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154766","8.366","0.0006","11.2874","0.0008","12.1577","0.0009","86.279","0.002","71.427","0.001","82.812","0.002","1079.33","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N O2 S -","- C23 H22 Cl N O2 S -","- C46 H44 Cl2 N2 O4 S2 -","2","1","","Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian","Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.","Organic & biomolecular chemistry","2015","14","2","564","569","10.1039/c5ob01950h","","","0.71073","MoKα","","0.0532","0.0445","","","0.1293","0.1396","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154767","7.9496","0.0002","8.5205","0.0002","9.6732","0.0002","108.919","0.0009","98.719","0.001","103.047","0.001","585.57","0.02","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","","Yevglevskis, Maksims; Lee, Guat L.; Sun, Jenny; Zhou, Shiyi; Sun, Xiaolong; Kociok-Köhn, Gabriele; James, Tony D.; Woodman, Timothy J.; Lloyd, Matthew D.","A study on the AMACR catalysed elimination reaction and its application to inhibitor testing.","Organic & biomolecular chemistry","2015","14","2","612","622","10.1039/c5ob01541c","","","0.71073","MoKα","","0.064","0.0463","","","0.1216","0.1323","","","","","","1.063","","","","has coordinates","176140","2020-10-21","18:00:00",""
"7154768","21.832","0.002","5.1765","0.0005","18.5849","0.0019","90","","103.747","0.002","90","","2040.2","0.3","303.9","","303.9","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 Cl N2 O -","- C25 H19 Cl N2 O -","- C100 H76 Cl4 N8 O4 -","4","1","","Yang, Sai; Shen, Liu-Lan; Kim, Yoon-Jung; Jeong, Jin-Hyun","Effective and novel enantioselective preparation of pyranopyrazoles and pyranocoumarins that is catalyzed by a quinine-derived primary amine.","Organic & biomolecular chemistry","2015","14","2","623","630","10.1039/c5ob01656h","","","0.71073","MoKα","","0.1098","0.065","","","0.1376","0.1556","","","","","","1.064","","","","has coordinates,has disorder","176137","2020-10-21","18:00:00",""
"7154769","11.8867","0.0001","8.0556","0.0001","12.3853","0.0001","90","","99.064","0.001","90","","1171.14","0.02","130","0.1","130","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoyl-Oxyma","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Burugupalli, Satvika; Shah, Sayali; van der Peet, Phillip L.; Arora, Seep; White, Jonathan M.; Williams, Spencer J.","Investigation of benzoyloximes as benzoylating reagents: benzoyl-Oxyma as a selective benzoylating reagent.","Organic & biomolecular chemistry","2016","14","1","97","104","10.1039/c5ob02092a","","","1.5418","CuKα","","0.0355","0.0342","","","0.0955","0.0966","","","","","","1.065","","","","has coordinates","176198","2020-10-21","18:00:00",""
"7154770","5.902","0.0001","21.523","0.0003","11.2041","0.0002","90","","102.073","0.002","90","","1391.76","0.04","130","0.1","130","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoyl-tButylOxyma","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Burugupalli, Satvika; Shah, Sayali; van der Peet, Phillip L.; Arora, Seep; White, Jonathan M.; Williams, Spencer J.","Investigation of benzoyloximes as benzoylating reagents: benzoyl-Oxyma as a selective benzoylating reagent.","Organic & biomolecular chemistry","2016","14","1","97","104","10.1039/c5ob02092a","","","1.5418","CuKα","","0.0437","0.0392","","","0.0972","0.1018","","","","","","1.034","","","","has coordinates","176198","2020-10-21","18:00:00",""
"7154771","10.604","0.002","10.844","0.002","11.111","0.003","90","","100.939","0.005","90","","1254.4","0.5","93","","93","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","","Soeta, Takahiro; Takashita, Suguru; Sakata, Yoko; Ukaji, Yutaka","Phosphinic acid-promoted addition reaction of isocyanides to (Z)-hydroximoyl chlorides: efficient synthesis of α-(hydroxyimino)amides.","Organic & biomolecular chemistry","2015","14","2","694","700","10.1039/c5ob02032h","","","0.71073","MoKα","","0.0614","0.0533","","","0.1495","0.1622","","","","","","1.068","","","","has coordinates","176136","2020-10-21","18:00:00",""
"7154772","8.0622","0.0003","8.0832","0.0005","19.3119","0.0011","96.786","0.005","92.066","0.004","103.632","0.004","1211.84","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O3 S4 -","- C24 H24 O3 S4 -","- C48 H48 O6 S8 -","2","1","","Ramulu, B. Janaki; Koley, Suvajit; Singh, Maya Shankar","Metal-free Brønsted acid mediated synthesis of fully substituted thiophenes via chemo- and regioselective intramolecular cyclization of α,α'-bis(β-oxodithioesters) at room temperature.","Organic & biomolecular chemistry","2015","14","2","434","439","10.1039/c5ob02081f","","","0.71073","MoKα","","0.0797","0.0494","","","0.1407","0.1714","","","","","","0.874","","","","has coordinates","176139","2020-10-21","18:00:00",""
"7154773","5.206","0.003","14.978","0.009","16.033","0.009","90","","90","","90","","1250.2","1.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C44 H76 N4 O24 -","4","1","","Johnson, Sherida; Tanaka, Fujie","Direct synthesis of C-glycosides from unprotected 2-N-acyl-aldohexoses via aldol condensation-oxa-Michael reactions with unactivated ketones.","Organic & biomolecular chemistry","2016","14","1","259","264","10.1039/c5ob02094h","","","1.54187","CuKα","","0.0825","0.0609","","","0.1401","0.1544","","","","","","1.082","","","","has coordinates","176197","2020-10-21","18:00:00",""
"7154774","5.008","0.002","8.002","0.004","17.346","0.008","90","","95.347","0.005","90","","692.1","0.5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H21 N O7 -","- C11 H21 N O7 -","- C22 H42 N2 O14 -","2","1","","Johnson, Sherida; Tanaka, Fujie","Direct synthesis of C-glycosides from unprotected 2-N-acyl-aldohexoses via aldol condensation-oxa-Michael reactions with unactivated ketones.","Organic & biomolecular chemistry","2016","14","1","259","264","10.1039/c5ob02094h","","","0.71075","MoKα","","0.037","0.0332","","","0.0851","0.0877","","","","","","1.049","","","","has coordinates","176197","2020-10-21","18:00:00",""
"7154775","14.489","0.008","16.788","0.01","15.691","0.009","90","","97.627","0.009","90","","3783","4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H48 N6 O3 -","- C42 H48 N6 O3 -","- C168 H192 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.1542","0.0674","","","0.1246","0.1585","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154776","14.6367","0.0004","17.6967","0.0004","15.064","0.0004","90","","94.45","0.002","90","","3890.13","0.17","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 F3 N6 O3 -","- C42 H45 F3 N6 O3 -","- C168 H180 F12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0788","0.0524","","","0.1087","0.1214","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154777","14.606","0.0004","18.7364","0.0005","14.7922","0.0004","90","","92.42","0.002","90","","4044.48","0.19","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 Cl3 N6 O3 -","- C42 H45 Cl3 N6 O3 -","- C168 H180 Cl12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0717","0.049","","","0.0997","0.1088","","","","","","0.994","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154778","14.5208","0.0002","19.0262","0.0003","14.9678","0.0002","90","","91.832","0.001","90","","4133.12","0.1","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 Br3 N6 O3 -","- C42 H45 Br3 N6 O3 -","- C168 H180 Br12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.0257","0.0255","","","0.0672","0.0674","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154779","11.231","0.0003","16.5478","0.0004","16.658","0.0004","60.773","0.002","70.814","0.002","73.664","0.002","2524.11","0.12","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C47 H59 N6 O6.5 -","- C47 H59 N6 O6.5 -","- C94 H118 N12 O13 -","2","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.0569","0.054","","","0.1516","0.1559","","","","","","1.058","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7154780","18.74","0.003","18.74","0.003","22.056","0.003","90","","90","","120","","6708.1","1.8","100","2","100","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- C54 H72 N6 O3 -","- C54 H72 N6 O3 -","- C216 H288 N24 O12 -","4","0.333333","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0465","0.0427","","","0.1151","0.1172","","","","","","1.096","","","","has coordinates","176144","2020-10-21","18:00:00",""
"7154781","18.64","0.003","18.64","","22.083","0.003","90","","90","","120","","6644.8","1.4","100","2","100","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- C54 H72 N6 O3 -","- C54 H72 N6 O3 -","- C216 H288 N24 O12 -","4","0.333333","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0677","0.051","","","0.1206","0.1271","","","","","","1.058","","","","has coordinates","176144","2020-10-21","18:00:00",""
"7154782","14.177","0.002","21.094","0.003","32.557","0.004","90","","90","","90","","9736","2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H102 Cl8 N6 O4 -","- C104 H102 Cl8 N6 O4 -","- C416 H408 Cl32 N24 O16 -","4","1","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54187","CuKα","","0.0614","0.0582","","","0.1704","0.1755","","","","","","1.046","","","","has coordinates","176144","2020-10-21","18:00:00",""
"7154783","15.145","0.0004","21.42","0.0004","25.216","0.0006","90","","90","","90","","8180.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C100.5 H92.25 N6.75 O3 -","- C100.5 H92.25 N6.75 O3 -","- C402 H369 N27 O12 -","4","1","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.08","0.0542","","","0.1304","0.145","","","","","","1.034","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154784","5.391","0.0006","5.4434","0.0006","11.1433","0.0012","84.283","0.008","78.772","0.009","68.545","0.007","298.37","0.06","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","3-fluorobicyclo[1.1.1]pentane-1-carboxylic acid","","- C6 H7 F O2 -","- C6 H7 F O2 -","- C12 H14 F2 O4 -","2","1","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0884","0.0567","","","0.1333","0.1499","","","","","","1.041","","","","has coordinates","171330","2020-10-21","18:00:00",""
"7154785","18.9983","0.0006","11.2142","0.0003","20.2881","0.0007","90","","90","","90","","4322.4","0.2","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tert-butyl (3-fluorobicyclo[1.1.1]pentan-1-yl)carbamate","","- C10 H16 F N O2 -","- C10 H16 F N O2 -","- C160 H256 F16 N16 O32 -","16","2","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0755","0.0456","","","0.1013","0.1183","","","","","","1.019","","","","has coordinates,has disorder","171330","2020-10-21","18:00:00",""
"7154786","20.8723","0.0011","5.5406","0.0003","9.5443","0.0005","90","","90","","90","","1103.75","0.1","153","2","153","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1,3-bis(3-fluorobicyclo[1.1.1]pentan-1-yl)urea","","- C11 H14 F2 N2 O -","- C11 H14 F2 N2 O -","- C44 H56 F8 N8 O4 -","4","0.5","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0712","0.0428","","","0.0958","0.1129","","","","","","1.037","","","","has coordinates,has disorder","171330","2020-10-21","18:00:00",""
"7154787","10.5994","0.0008","14.6173","0.0014","16.0206","0.0013","91.305","0.003","90.921","0.003","103.62","0.004","2411.1","0.4","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H30 S18 -","- C42 H30 S18 -","- C84 H60 S36 -","2","1","","Parker, Christian R.; Lincke, Kasper; Christensen, Mikkel A.; Lušpai, Karol; Rapta, Peter; Sørensen, Thomas Just; Morsing, Thorbjørn J; Du, Lin; Kjaergaard, Henrik G.; Hammerich, Ole; Diederich, François; Nielsen, Mogens Brøndsted","On the association of neutral and cationic tris(tetrathiafulvaleno)dodecadehydro[18]annulenes.","Organic & biomolecular chemistry","2015","14","2","425","429","10.1039/c5ob02087e","","","0.71073","MoKα","","0.1132","0.052","","","0.0798","0.0966","","","","","","1.0012","","","","has coordinates","176138","2020-10-21","18:00:00",""
"7154788","9.1961","0.0006","9.1334","0.0006","17.5805","0.0011","90","","97.135","0.002","90","","1465.18","0.16","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H22 F4 O2 -","- C14 H22 F4 O2 -","- C56 H88 F16 O8 -","4","2","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","1.54187","CuKα","","","0.0495","","","","0.1415","","","","","","1.058","","","","has coordinates","176193","2020-10-21","18:00:00",""
"7154789","5.3073","0.0014","10.169","0.003","26.061","0.007","90","","90","","90","","1406.5","0.7","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 F2 O2 -","- C14 H24 F2 O2 -","- C56 H96 F8 O8 -","4","1","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","0.71075","MoKα","","","0.0351","","","","0.0843","","","","","","1.026","","","","has coordinates","176193","2020-10-21","18:00:00",""
"7154790","7.7556","0.0012","10.679","0.0015","9.8996","0.0016","90","","107.033","0.004","90","","783.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C30 H50 N2 O6 -","2","1","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","1.54187","CuKα","","0.0485","0.0478","","","0.1168","0.1176","","","","","","0.891","","","","has coordinates","176193","2020-10-21","18:00:00",""
"7154791","11.707","0.005","6.566","0.005","12.828","0.005","90","0","102.872","0.005","90","0","961.3","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","Coffinet, Michaël; Lamy, Samantha; Jaroschik, Florian; Vasse, Jean-Luc","Cyclopent-2-enylaluminium as allylzinc precursor for the diastereoselective allylmetallation of non-racemic imines: applications to the synthesis of enantiomerically enriched heterocycles.","Organic & biomolecular chemistry","2015","14","1","69","73","10.1039/c5ob02184g","","","1.54178","CuKα","","0.0277","0.0274","","","0.0691","0.0695","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154792","10.585","0.005","6.81","0.005","13.05","0.005","90","0","109.415","0.005","90","0","887.2","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C42 H50 N2 O4 -","2","1","","Coffinet, Michaël; Lamy, Samantha; Jaroschik, Florian; Vasse, Jean-Luc","Cyclopent-2-enylaluminium as allylzinc precursor for the diastereoselective allylmetallation of non-racemic imines: applications to the synthesis of enantiomerically enriched heterocycles.","Organic & biomolecular chemistry","2015","14","1","69","73","10.1039/c5ob02184g","","","1.54178","CuKα","","0.0266","0.0257","","","0.0663","0.0674","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154793","9.1914","0.0002","17.0779","0.0003","10.5669","0.0002","90","","98.692","0.002","90","","1639.63","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Monomethyl (S)-pyrrolidin-2-ylmethyl 3-bromobenzoate-(1R,2R)-1-(3,4,5-trimethoxyphenyl)-6,7-methylenedioxy-1,2-dihydronaphthalene-2,3-dicarboxylate amide ester","","- C35 H34 Br N O10 -","- C35 H34 Br N O10 -","- C70 H68 Br2 N2 O20 -","2","1","","Lisiecki, Kamil; Krawczyk, Krzysztof K.; Roszkowski, Piotr; Maurin, Jan K.; Czarnocki, Zbigniew","Formal synthesis of (-)-podophyllotoxin through the photocyclization of an axially chiral 3,4-bisbenzylidene succinate amide ester - a flow photochemistry approach.","Organic & biomolecular chemistry","2015","14","2","460","469","10.1039/c5ob01844g","","","1.54184","CuKα","","0.0822","0.059","","","0.1468","0.1643","","","","","","1.032","","","","has coordinates","176143","2020-10-21","18:00:00",""
"7154794","3.9823","0.0006","11.7455","0.0017","16.58","0.002","86.931","0.003","84.919","0.003","89.788","0.003","771.36","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3a","","- C18 H13 Cl N2 O -","- C18 H13 Cl N2 O -","- C36 H26 Cl2 N4 O2 -","2","1","","Li, Lei; Wang, Qian; Liu, Pei; Meng, Hua; Kan, Xing-Lan; Liu, Qun; Zhao, Yu-Long","DBU-mediated metal-free oxidative cyanation of α-amino carbonyl compounds: using molecular oxygen as the oxidant.","Organic & biomolecular chemistry","2016","14","1","165","171","10.1039/c5ob01690h","","","0.71073","MoKα","","0.0814","0.0509","","","0.1354","0.1617","","","","","","1.019","","","","has coordinates","176201","2020-10-21","18:00:00",""
"7154795","8.046","0.006","9.777","0.007","10.002","0.007","112.309","0.011","91.342","0.011","95.164","0.012","723.5","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 I N2 O3 -","- C14 H13 I N2 O3 -","- C28 H26 I2 N4 O6 -","2","1","","Sun, Meng; Chen, Xiangxiang; Zhang, Liang; Sun, Wei; Wang, Zhe; Guo, Peiyu; Li, Ya-Min; Yang, Xiao-Juan","Efficient, versatile and practical palladium-catalyzed highly regioselective ortho-halogenation of azoxybenzenes.","Organic & biomolecular chemistry","2015","14","1","323","329","10.1039/c5ob02153g","","","0.71073","MoKα","","0.0627","0.0467","","","0.1318","0.1911","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154796","15.2163","0.0004","29.527","0.0015","20.3699","0.001","90","","92.916","0.003","90","","9140.2","0.7","123","2","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89.62 H124.18 Cl7.05 N6 O10 -","- C89.612 H124.183 Cl7.041 N6 O10 -","- C358.448 H496.732 Cl28.164 N24 O40 -","4","1","","Lascaux, Angélique; Leener, Gaël De; Fusaro, Luca; Topić, Filip; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan","Selective recognition of neutral guests in an aqueous medium by a biomimetic calix[6]cryptamide receptor.","Organic & biomolecular chemistry","2015","14","2","738","746","10.1039/c5ob02067k","","","0.71073","MoKα","","0.2346","0.0878","","","0.1596","0.2164","","","","","","1.011","","","","has coordinates,has disorder","176145","2020-10-21","18:00:00",""
"7154797","15.2333","0.0007","29.5603","0.0013","20.3969","0.0005","90","","92.992","0.002","90","","9172.2","0.6","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88.35 H120.9 Cl7.34 N6 O10.32 -","- C88.353 H120.897 Cl7.335 N6 O10.318 -","- C353.412 H483.588 Cl29.34 N24 O41.272 -","4","1","","Lascaux, Angélique; Leener, Gaël De; Fusaro, Luca; Topić, Filip; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan","Selective recognition of neutral guests in an aqueous medium by a biomimetic calix[6]cryptamide receptor.","Organic & biomolecular chemistry","2015","14","2","738","746","10.1039/c5ob02067k","","","0.71073","MoKα","","0.2857","0.1139","","","0.2254","0.3056","","","","","","1.021","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154798","13.6571","0.0012","7.7611","0.0007","14.968","0.0014","90","","91.63","0.002","90","","1585.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","V, Vijay; Karkhelikar, Manjusha V.; Sridhar, B.; Mirzadeh, Nedaossadat; Bhargava, Suresh; Likhar, Pravin R.","Electronically modified amine substituted alkynols for regio-selective synthesis of dihydrofuran derivatives.","Organic & biomolecular chemistry","2016","14","1","288","295","10.1039/c5ob02033f","","","0.71073","MoKα","","0.132","0.0975","","","0.1684","0.1823","","","","","","1.242","","","","has coordinates","176189","2020-10-21","18:00:00",""
"7154799","13.7811","0.0012","13.3475","0.0011","16.9711","0.0015","90","","90","","90","","3121.7","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 I N O2 -","- C17 H14 I N O2 -","- C136 H112 I8 N8 O16 -","8","1","","V, Vijay; Karkhelikar, Manjusha V.; Sridhar, B.; Mirzadeh, Nedaossadat; Bhargava, Suresh; Likhar, Pravin R.","Electronically modified amine substituted alkynols for regio-selective synthesis of dihydrofuran derivatives.","Organic & biomolecular chemistry","2016","14","1","288","295","10.1039/c5ob02033f","","","0.71073","MoKα","","0.0633","0.0462","","","0.1092","0.1189","","","","","","1.054","","","","has coordinates","176189","2020-10-21","18:00:00",""
"7154800","6.9535","0.0001","8.5937","0.0001","30.8423","0.0005","90","","90","","90","","1843.02","0.05","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzene","2,5-Dimethyl-1-[4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)phenyl]-1H-pyrrole","","- C23 H22 N2 -","- C23 H22 N2 -","- C92 H88 N8 -","4","1","","Kim, Byeong Hyo; Bae, Seolhee; Go, Ahra; Lee, Hyunseung; Gong, Cheoloh; Lee, Byung Min","Synthesis of two distinct pyrrole moiety-containing arenes from nitroanilines using Paal-Knorr followed by an indium-mediated reaction.","Organic & biomolecular chemistry","2015","14","1","265","276","10.1039/c5ob02101d","","","0.71073","MoKα","","0.0512","0.0404","","","0.108","0.116","","","","","","1.038","","","","has coordinates","176191","2020-10-21","18:00:00",""
"7154801","6.82581","0.00005","12.0234","0.00007","14.6468","0.00009","90","","90","","90","","1202.06","0.013","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2R,7S,8aS)-1,2,7-trihydroxy-5,5-dimethyloctahydro-1H-indolizin-4-ium chloride","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","","Malinowski, Maciej; Rowicki, Tomasz; Guzik, Patrycja; Gryszel, Maciej; Łapczyński, Sebastian; Wielechowska, Monika; Czerwińska, Karolina; Madura, Izabela; Sas, Wojciech","[1,4]-sigmatropic rearrangement of chiral nitrones and their utilization in the synthesis of new iminosugars.","Organic & biomolecular chemistry","2015","14","2","470","482","10.1039/c5ob01432h","","x-ray","1.54184","CuKα","","0.022","0.0217","","","0.0578","0.058","","","","","","1.034","","","","has coordinates","176141","2020-10-21","18:00:00",""
"7154802","7.96665","0.00007","10.06647","0.0001","31.833","0.0003","90","","90","","90","","2552.88","0.04","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2-((tert-butyldimethylsilyl)oxy)-1-((4R,5S)-5-((4S,6S)-2',2'-dimethyl-7-oxa-1-azaspiro[bicyclo[2.2.1]heptane-2,5'-[1,3]dioxan]-6-yl)-2,2-dimethyl-1,3-dioxolan-4-yl)ethanol","","- C23 H43 N O7 Si -","- C23 H43 N O7 Si -","- C92 H172 N4 O28 Si4 -","4","1","","Malinowski, Maciej; Rowicki, Tomasz; Guzik, Patrycja; Gryszel, Maciej; Łapczyński, Sebastian; Wielechowska, Monika; Czerwińska, Karolina; Madura, Izabela; Sas, Wojciech","[1,4]-sigmatropic rearrangement of chiral nitrones and their utilization in the synthesis of new iminosugars.","Organic & biomolecular chemistry","2015","14","2","470","482","10.1039/c5ob01432h","","","1.54184","CuKα","","0.0286","0.0278","","","0.0713","0.072","","","","","","1.041","","","","has coordinates","176141","2020-10-21","18:00:00",""
"7154803","7.824","0.0005","13.359","0.0005","20.5454","0.0009","90","","90","","90","","2147.42","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O8 -","- C19 H24 N2 O8 -","- C76 H96 N8 O32 -","4","1","","Suresh Kumar, A.; Prabhakar Reddy, T.; Madhavachary, R.; Ramachary, Dhevalapally B.","Rawal's catalyst as an effective stimulant for the highly asymmetric Michael addition of β-keto esters to functionally rich nitro-olefins.","Organic & biomolecular chemistry","2016","14","24","5494","5499","10.1039/c5ob02178b","","x-ray","1.54184","CuKα","","0.0967","0.0562","","","0.1147","0.1372","","","","","","0.996","","","","has coordinates","183763","2020-10-21","18:00:00",""
"7154804","9.4301","0.0006","9.8683","0.0006","11.5227","0.0008","81.308","0.002","68.13","0.002","68.113","0.002","923.3","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O8 -","- C22 H18 O8 -","- C44 H36 O16 -","2","1","","Li, Zhongzhou; Su, Hui; Yu, Weiwei; Li, Xinjun; Cheng, Hao; Liu, Mingyao; Pang, Xiufeng; Zou, Xinzhuo","Design, synthesis and anticancer activities of novel otobain derivatives.","Organic & biomolecular chemistry","2015","14","1","277","287","10.1039/c5ob02176f","","","0.71073","MoKα","","0.0527","0.0403","","","0.1065","0.1185","","","","","","1.08","","","","has coordinates","176194","2020-10-21","18:00:00",""
"7154805","8.8536","0.0005","11.684","0.0007","16.873","0.001","90","","98.782","0.002","90","","1724.97","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O6 -","- C20 H15 N3 O6 -","- C80 H60 N12 O24 -","4","1","","Li, Zhongzhou; Su, Hui; Yu, Weiwei; Li, Xinjun; Cheng, Hao; Liu, Mingyao; Pang, Xiufeng; Zou, Xinzhuo","Design, synthesis and anticancer activities of novel otobain derivatives.","Organic & biomolecular chemistry","2015","14","1","277","287","10.1039/c5ob02176f","","","0.71073","MoKα","","0.0528","0.0354","","","0.0758","0.0854","","","","","","1.037","","","","has coordinates","176194","2020-10-21","18:00:00",""
"7154806","12.9877","0.0003","7.4549","0.0002","31.4842","0.0009","90","","90","","90","","3048.36","0.14","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C136 H112 N16 O32 -","8","1","","Wang, Bin; Chen, Ying; Zhou, Ling; Wang, Jianwu; Xu, Zhenghu","Zn/Sc bimetallic relay catalysis: one pot cycloisomerization/carbonyl-ene reaction toward oxazole derivatives.","Organic & biomolecular chemistry","2016","14","3","826","829","10.1039/c5ob02158h","","","0.71073","MoKα","","0.1119","0.0892","","","0.2516","0.2703","","","","","","1.054","","","","has coordinates","176161","2020-10-21","18:00:00",""
"7154807","24.317","0.0011","13.776","0.0006","67.036","0.003","90","","91.6033","0.0013","90","","22447.7","1.7","100","2","100","2","","","","","","","soft coral","3","C 1 2 1","C 2y","5","","Isodecaryiol","","- C20 H34 O2 -","- C20 H34 O2 -","- C960 H1632 O96 -","48","12","","Rahelivao, Marie Pascaline; Gruner, Margit; Lübken, Tilo; Islamov, Daut; Kataeva, Olga; Andriamanantoanina, Hanta; Bauer, Ingmar; Knölker, Hans-Joachim","Chemical constituents of the soft corals Sinularia vanderlandi and Sinularia gravis from the coast of Madagascar.","Organic & biomolecular chemistry","2016","14","3","989","1001","10.1039/c5ob02280k","","x-ray","1.54178","CuKα","","0.0354","0.0347","","","0.1178","0.1187","","","","","","1.098","","","","has coordinates","176160","2020-10-21","18:00:00",""
"7154808","7.6694","0.0008","8.4024","0.0008","15.7611","0.0016","89.92","0.0019","88.182","0.002","88.417","0.0019","1014.77","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(cyclopropylmethylene)-2-methylisoindolin-1-one","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","2","","Munoz, Socrates B.; Aloia, Alexandra N.; Moore, Alexander K.; Papp, Attila; Mathew, Thomas; Fustero, Santos; Olah, George A.; Surya Prakash, G. K.","Synthesis of 3-substituted isoindolin-1-ones via a tandem desilylation, cross-coupling, hydroamidation sequence under aqueous phase-transfer conditions.","Organic & biomolecular chemistry","2016","14","1","85","92","10.1039/c5ob02187a","","","0.71073","MoKα","","0.0565","0.0428","","","0.1032","0.1121","","","","","","1.019","","","","has coordinates","176192","2020-10-21","18:00:00",""
"7154809","11.9196","0.0005","14.6868","0.0007","6.4","0.0003","90","","96.769","0.001","90","","1112.58","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-Benzylideneisoindolin-1-one","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Munoz, Socrates B.; Aloia, Alexandra N.; Moore, Alexander K.; Papp, Attila; Mathew, Thomas; Fustero, Santos; Olah, George A.; Surya Prakash, G. K.","Synthesis of 3-substituted isoindolin-1-ones via a tandem desilylation, cross-coupling, hydroamidation sequence under aqueous phase-transfer conditions.","Organic & biomolecular chemistry","2016","14","1","85","92","10.1039/c5ob02187a","","","0.71073","MoKα","","0.0513","0.0424","","","0.1159","0.1216","","","","","","1.064","","","","has coordinates","176192","2020-10-21","18:00:00",""
"7154810","21.688","0.006","17.152","0.004","22.729","0.005","90","","115.043","0.003","90","","7660","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H77 Br2 Cl3 N14 O24 -","- C65 H77 Br2 Cl3 N14 O24 -","- C260 H308 Br8 Cl12 N56 O96 -","4","1","","Wang, Xu-Dong; Li, Sen; Ao, Yu-Fei; Wang, Qi-Qiang; Huang, Zhi-Tang; Wang, De-Xian","Oxacalix[2]arene[2]triazine based ion-pair transporters.","Organic & biomolecular chemistry","2016","14","1","330","334","10.1039/c5ob02291f","","","0.71073","MoKα","","0.1745","0.1495","","","0.3675","0.3798","","","","","","1.882","","","","has coordinates,has disorder","176200","2020-10-21","18:00:00",""
"7154811","9.547","0.003","7.151","0.0019","12.171","0.003","90","","111.479","0.003","90","","773.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N -","- C17 H20 Cl N -","- C34 H40 Cl2 N2 -","2","1","","Chen, Yunwei; Sun, Xiang; Wu, Ningjie; Li, Jingbai; Jin, Shengnan; Zhong, Yongliang; Liu, Zirui; Rogachev, Andrey; Chong, Hyun-Soon","Synthetic and theoretical investigation on the one-pot halogenation of β-amino alcohols and nucleophilic ring opening of aziridinium ions.","Organic & biomolecular chemistry","2016","14","3","920","939","10.1039/c5ob01692d","","","0.71073","MoKα","","0.0322","0.0293","","","0.0702","0.0722","","","","","","1.03","","","","has coordinates","176165","2020-10-21","18:00:00",""
"7154812","16.2077","0.0003","8.43855","0.00016","12.5611","0.0003","90","","90","","90","","1717.98","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H23 O P -","- C20 H23 O P -","- C80 H92 O4 P4 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Synthesis of 1,4-dihydrophosphinoline 1-oxides by acid-promoted cyclization of 1-(diphenylphosphoryl)allenes.","Organic & biomolecular chemistry","2016","14","4","1370","1381","10.1039/c5ob02143j","","","1.54184","CuKα","","0.0538","0.0535","","","0.1355","0.136","","","","","","1.091","","","","has coordinates","176151","2020-10-21","18:00:00",""
"7154813","11.5236","0.0015","7.0451","0.0009","19.746","0.003","90","","104.565","0.001","90","","1551.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,8-Dimethoxy-1,6b-dimethyl-1a,6b-dihydro-1H- benzofuro[2,3-b]indole","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Chai, Zhuo; Chen, Jia-Nan; Liu, Zhen; Li, Xue-Fei; Yang, Pei-Jun; Hu, Ji-Ping; Yang, Gaosheng","[3 + 2]-Annulations of N-alkyl-3-substituted indoles with quinone monoketals catalysed by Brønsted acids.","Organic & biomolecular chemistry","2016","14","3","1024","1030","10.1039/c5ob01876e","","","0.71073","MoKα","","0.0552","0.0432","","","0.1132","0.1222","","","","","","1.038","","","","has coordinates","176163","2020-10-21","18:00:00",""
"7154814","8.241","0.003","9.598","0.004","25.276","0.01","90","","99.148","0.006","90","","1973.8","1.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br Cl O3 -","- C20 H19 Br Cl O3 -","- C80 H76 Br4 Cl4 O12 -","4","1","","Anugu, Raghunath Reddy; Mainkar, Prathama S.; Sridhar, Balasubramanian; Chandrasekhar, Srivari","The Ireland-Claisen rearrangement strategy towards the synthesis of the schizophrenia drug, (+)-asenapine.","Organic & biomolecular chemistry","2016","14","4","1332","1337","10.1039/c5ob02047f","","","0.71073","MoKα","","0.1841","0.1232","","","0.3237","0.3589","","","","","","1.169","","","","has coordinates","176158","2020-10-21","18:00:00",""
"7154815","5.8334","0.0005","10.9763","0.0009","24.922","0.002","90","","90","","90","","1595.7","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","aks_i_282_01","","- C15 H16 N4 O4 S -","- C15 H16 N4 O4 S -","- C60 H64 N16 O16 S4 -","4","1","","Simlandy, Amit K.; Mukherjee, Santanu","Catalytic asymmetric formal γ-allylation of deconjugated butenolides.","Organic & biomolecular chemistry","2016","14","24","5659","5664","10.1039/c5ob02362a","","","0.71073","MoKα","","0.06","0.0448","","","0.0726","0.0754","","","","","","1.081","","","","has coordinates","183757","2020-10-21","18:00:00",""
"7154816","8.1772","0.0005","9.7706","0.0005","13.9947","0.0008","70.184","0.002","73.97","0.002","83.379","0.002","1010.72","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","AKS_I_393_01","","- C20 H17 Br N4 O4 S -","- C20 H17 Br N4 O4 S -","- C40 H34 Br2 N8 O8 S2 -","2","1","","Simlandy, Amit K.; Mukherjee, Santanu","Catalytic asymmetric formal γ-allylation of deconjugated butenolides.","Organic & biomolecular chemistry","2016","14","24","5659","5664","10.1039/c5ob02362a","","x-ray","0.71073","MoKα","","0.0437","0.0303","","","0.0599","0.0628","","","","","","1.025","","","","has coordinates","183757","2020-10-21","18:00:00",""
"7154817","7.2632","0.0002","14.5322","0.0004","16.5698","0.0006","90","","91.431","0.001","90","","1748.4","0.09","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(1E,4Z)-1-(9-ethyl-9H-carbazol-3-yl)-6,6,6-trifluoro-5-hydroxyhexa-1,4-dien-3-one","","- C20 H16 F3 N O2 -","- C20 H16 F3 N O2 -","- C80 H64 F12 N4 O8 -","4","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.1311","0.0676","","","0.1843","0.2309","","","","","","1.103","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154818","22.4771","0.0008","12.8997","0.0008","15.6366","0.0008","90","","132.732","0.005","90","","3330.2","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","(E)-2,2-difluoro-6-(2-(6-methoxynaphthalen-2-yl)vinyl)-4-(trifluoromethyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C17 H12 B F5 O3 -","- C17 H12 B F5 O3 -","- C136 H96 B8 F40 O24 -","8","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.1608","0.0612","","","0.1417","0.1897","","","","","","1.03","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154819","11.5387","0.0004","9.8453","0.0004","19.8519","0.0009","90","","117.76","0.001","90","","1995.65","0.14","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(E)-2,2-difluoro-4-isobutyl-6-(2-(pyren-1-yl)vinyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C25 H21 B F2 O2 -","- C25 H21 B F2 O2 -","- C100 H84 B4 F8 O8 -","4","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.2017","0.0796","","","0.2015","0.2477","","","","","","0.976","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154820","21.523","0.001","13.3264","0.0009","14.604","0.001","90","","95.233","0.007","90","","4171.3","0.4","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","(E)-2,2-difluoro-6-(2-(pyren-1-yl)vinyl)-4-(trifluoromethyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C22.12 H12 B Cl0.38 F5 O2 -","- C22.175 H12 B Cl0.35 F5 O2 -","- C177.4 H96 B8 Cl2.8 F40 O16 -","8","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.2664","0.111","","","0.2749","0.3379","","","","","","0.922","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154821","8.058","0.0002","11.8497","0.0003","17.433","0.0005","90","","104.565","0.001","90","","1611.09","0.07","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","(E)-2,2-difluoro-6-(4-(methylthio)styryl)-4-phenyl-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C18 H15 B F2 O2 S -","- C18 H15 B F2 O2 S -","- C72 H60 B4 F8 O8 S4 -","4","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.0964","0.0501","","","0.1161","0.1385","","","","","","1.04","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154822","8.3507","0.0013","8.6494","0.0014","9.0014","0.0015","79.307","0.003","84.564","0.003","79.146","0.003","626.23","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O3 S -","- C12 H14 N2 O3 S -","- C24 H28 N4 O6 S2 -","2","1","","Shen, Mei-Hua; Xu, Ke; Sun, Chu-Han; Xu, Hua-Dong","Facile synthesis of aza-spirocyclopropanyl oxindoles by the reaction of 3-(2-bromoethyl)-indole with 2,3-dimethylimidazole-1-sulfonyl azide triflate.","Organic & biomolecular chemistry","2016","14","4","1272","1276","10.1039/c5ob02192h","","","0.71073","MoKα","","0.0457","0.0422","","","0.1353","0.1468","","","","","","1.113","","","","has coordinates","176150","2020-10-21","18:00:00",""
"7154823","11.562","0.006","6.267","0.002","19.695","0.01","90","","95.75","0.03","90","","1419.9","1.1","173","","173","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C15 H18 F4 O -","- C15 H18 F4 O -","- C60 H72 F16 O4 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0274","0.0264","","","0.0688","0.0694","","","","","","0.982","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154824","22.574","0.002","6.3537","0.0008","19.1603","0.0019","90","","90","","90","","2748.1","0.5","125","","125","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H18 F4 O -","- C15 H18 F4 O -","- C120 H144 F32 O8 -","8","2","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.1709","0.1577","","","0.3205","0.3507","","","","","","1.547","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154825","6.192","0.005","13.935","0.009","10.252","0.008","90","","106.98","0.02","90","","846","1.1","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 F4 O -","- C8 H12 F4 O -","- C32 H48 F16 O4 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.0672","0.0595","","","0.1484","0.1562","","","","","","0.969","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154826","18.859","0.013","10.647","0.007","8.927","0.006","90","","90","","90","","1792","2","125","","125","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H12 F4 O -","- C8 H12 F4 O -","- C64 H96 F32 O8 -","8","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.1454","0.1118","","","0.3106","0.3346","","","","","","1.108","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154827","10.4475","0.0014","11.766","0.002","16.901","0.002","90","","100.766","0.003","90","","2041","0.5","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 F4 N2 O2 -","- C21 H26 F4 N2 O2 -","- C84 H104 F16 N8 O8 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.047","0.0466","","","0.1067","0.1077","","","","","","1.002","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154828","12.108","0.003","13.669","0.004","16.043","0.004","102.251","0.003","91.947","0.005","114.376","0.005","2341.3","1.1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 F4 N2 O2 -","- C26 H28 F4 N2 O2 -","- C104 H112 F16 N8 O8 -","4","2","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0775","0.0584","","","0.1483","0.1555","","","","","","0.94","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154829","10.0424","0.0016","10.27","0.002","10.882","0.002","83.19","0.03","64.29","0.02","74.1","0.02","972.5","0.4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 F4 N O3 -","- C20 H25 F4 N O3 -","- C40 H50 F8 N2 O6 -","2","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0507","0.0422","","","0.1081","0.1116","","","","","","0.87","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154830","8.5702","0.0017","21.691","0.004","11.256","0.002","90","","90.986","0.004","90","","2092.1","0.7","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F4 N2 O2 -","- C21 H23 F4 N2 O2 -","- C84 H92 F16 N8 O8 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0902","0.0722","","","0.1929","0.2041","","","","","","1.022","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154831","11.187","0.006","11.294","0.005","12.18","0.006","92.707","0.004","116.606","0.005","116.789","0.005","1166.9","1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 F4 N2 O2 -","- C26 H28 F4 N2 O2 -","- C52 H56 F8 N4 O4 -","2","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.1158","0.0563","","","0.1364","0.1701","","","","","","0.906","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154832","9.768","0.003","10.296","0.003","22.978","0.006","90","","90","","90","","2310.9","1.1","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 F4 N2 O3 -","- C25 H28 F4 N2 O3 -","- C100 H112 F16 N8 O12 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.079","0.0684","","","0.1943","0.2044","","","","","","0.831","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154833","12.2153","0.0002","13.5599","0.0002","18.6521","0.0003","95.666","0.001","104.369","0.001","107.679","0.001","2800.32","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-methoxypyrido[2',3':4,5]pyrrolo[1,2-<i>f</i>]phenanthridine","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","4","","Ngo, Thang Ngoc; Janert, Frank; Ehlers, Peter; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Lochbrunner, Stefan; Langer, Peter","Pd(0)-catalyzed domino C-N coupling/hydroamination/C-H arylation reactions: efficient synthesis and photophysical properties of azaindolo[1,2-f]phenanthridines.","Organic & biomolecular chemistry","2016","14","4","1293","1301","10.1039/c5ob02274f","","","0.71073","MoKα","","0.0795","0.0501","","","0.1251","0.1469","","","","","","1.009","","","","has coordinates","176156","2020-10-21","18:00:00",""
"7154834","36.552","0.003","21.7842","0.0015","28.274","0.002","90","","109.553","0.001","90","","21215","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","CB SG-2-161B","","- C75 H132 Cl N20 Na4 O48 S5 -","- C75 H90 N20 O27.96 S5 -","- C600 H720 N160 O223.68 S40 -","8","1","","Ganapati, Shweta; Zavalij, Peter Y.; Eikermann, Matthias; Isaacs, Lyle","In Vitro selectivity of an acyclic cucurbit[n]uril molecular container towards neuromuscular blocking agents relative to commonly used drugs.","Organic & biomolecular chemistry","2016","14","4","1277","1287","10.1039/c5ob02356d","","","0.71073","MoKα","","0.1118","0.0817","","","0.1773","0.1949","","","","","","1.055","","","","has coordinates,has disorder","176147","2020-10-21","18:00:00",""
"7154835","13.4868","0.0014","15.2064","0.0016","17.7733","0.0019","90","","107.75","0.002","90","","3471.5","0.6","294","2","294","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H25 Cl F6 N2 O2 Pt S2 -","- C35 H25 Cl F6 N2 O2 Pt S2 -","- C140 H100 Cl4 F24 N8 O8 Pt4 S8 -","4","1","","Kamal, Ahmed; Ashraf, Md; Basha, Shaik Thokhir; Ali Hussaini, S. M.; Singh, Shamshair; Vishnuvardhan, M. V. P. S.; Kiran, Boppana; Sridhar, Balasubramanian","Design, synthesis and antiproliferative activity of the new conjugates of E7010 and resveratrol as tubulin polymerization inhibitors.","Organic & biomolecular chemistry","2016","14","4","1382","1394","10.1039/c5ob02022k","","","0.71073","MoKα","","0.0338","0.0293","","","0.0735","0.0774","","","","","","1.018","","","","has coordinates","176154","2020-10-21","18:00:00",""
"7154836","12.0003","0.0005","5.4759","0.0002","17.9308","0.0008","90","","92.31","0.002","90","","1177.32","0.08","150","","150","","","","","","","","syn","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 F N O -","- C16 H12 F N O -","- C64 H48 F4 N4 O4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0756","0.0492","","0.1498","0.1253","0.1498","","","","","","1.0312","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154837","6.5458","0.0001","8.4459","0.0002","13.2079","0.0003","90","","99.9683","0.0009","90","","719.18","0.03","150","","150","","","","","","","","syn","3","P 1 21 1","P 2yb","4","","","","- C19 H21 N -","- C19 H21 N -","- C38 H42 N2 -","2","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0335","0.0314","","0.0803","0.077","0.0803","","","","","","0.9287","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154838","9.4554","0.0001","10.6808","0.0002","12.7524","0.0002","90","","92.8615","0.0007","90","","1286.27","0.03","150","","150","","","","","","","","syn","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0496","0.04","","0.1138","0.0982","0.0937","","","","","","0.8803","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154839","6.019","0.0001","8.0659","0.0002","23.9029","0.0005","90","","91.3683","0.0011","90","","1160.12","0.04","150","","150","","","","","","","","Syn","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0608","0.0452","","0.116","0.1052","0.116","","","","","","0.9517","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154840","8.8066","0.0001","13.3703","0.0002","12.5739","0.0002","90","","105.106","0.0005","90","","1429.38","0.04","150","","150","","","","","","","","syn","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 Br N -","- C18 H14 Br N -","- C72 H56 Br4 N4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0371","0.0326","","0.0772","0.073","0.0772","","","","","","0.8809","","","","has coordinates","176164","2020-10-21","18:00:00",""
"7154841","12.5638","0.0005","13.9738","0.0005","18.3524","0.0006","87.76","0.002","87.387","0.002","89.741","0.002","3216.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H46 N9 O0.5 -","- C33 H46 N9 O0.5 -","- C132 H184 N36 O2 -","4","2","","Lippe, Jan; Seichter, Wilhelm; Mazik, Monika","Improved binding affinity and interesting selectivities of aminopyrimidine-bearing carbohydrate receptors in comparison with their aminopyridine analogues.","Organic & biomolecular chemistry","2015","13","48","11622","11632","10.1039/c5ob01757b","","","0.71073","MoKα","","0.065","0.0475","","","0.1178","0.1298","","","","","","1.032","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7154842","9.7878","0.0008","10.215","0.0008","12.0649","0.001","93.455","0.002","95.974","0.002","109.227","0.002","1127.05","0.16","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","18b","","- C21 H29 F3 N2 O5 -","- C21 H29 F3 N2 O5 -","- C42 H58 F6 N4 O10 -","2","1","","Lesma, Giordano; Bassanini, Ivan; Bortolozzi, Roberta; Colletto, Chiara; Bai, Ruoli; Hamel, Ernest; Meneghetti, Fiorella; Rainoldi, Giulia; Stucchi, Mattia; Sacchetti, Alessandro; Silvani, Alessandra; Viola, Giampietro","Complementary isonitrile-based multicomponent reactions for the synthesis of diversified cytotoxic hemiasterlin analogues.","Organic & biomolecular chemistry","2015","13","48","11633","11644","10.1039/c5ob01882j","","x-ray","0.71073","MoKα","","0.0604","0.0527","","","0.153","0.1633","","","","","","1.063","","","","has coordinates","170886","2020-10-21","18:00:00",""
"7154843","11.71049","0.00013","11.80555","0.00011","52.7036","0.0005","90","","90","","90","","7286.21","0.13","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5e","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C320 H400 N16 O32 -","16","4","","Wu, Shaotong; Yin, Qianqian; Zhao, Liang; Fan, Ningning; Tang, Xiaowan; Zhao, Jianxiong; Sheng, Tao; Guo, Ying; Tian, Chao; Zhang, Zhili; Xu, Weisi; Liu, Zhenming; Jiang, Shibo; Ma, Liying; Liu, Junyi; Wang, Xiaowei","A stereo configuration-activity study of 3-iodo-4-(2-methylcyclohexyloxy)-6-phenethylpyridin-2(2H)-ones as potency inhibitors of HIV-1 variants.","Organic & biomolecular chemistry","2016","14","4","1413","1420","10.1039/c5ob02154e","","","1.54184","CuKα","","0.0451","0.0433","","","0.1111","0.1131","","","","","","1.044","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7154844","11.1239","0.0003","8.9956","0.0002","15.6586","0.0004","90","","105.218","0.002","90","","1511.95","0.07","289","2","289","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Bai, Mei; You, Yong; Chen, Yong-Zheng; Xiang, Guang-Yan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","An unprecedented protocol for the synthesis of 3-hydroxy-3-phenacyloxindole derivatives with indolin-2-ones and α-substituted ketones.","Organic & biomolecular chemistry","2016","14","4","1395","1401","10.1039/c5ob02391b","","","1.54184","CuKα","","0.045","0.0422","","","0.1106","0.1128","","","","","","1.065","","","","has coordinates","176152","2020-10-21","18:00:00",""
"7154845","5.8682","0.0004","15.5218","0.0014","14.1795","0.0013","90","","92.445","0.001","90","","1290.36","0.19","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H37 O2 P S -","- C31 H37 O2 P S -","- C62 H74 O4 P2 S2 -","2","1","","Yao, Lan; Liu, Li-Juan; Xu, Zhong-Yuan; Nie, Shao-Zhen; Xiao, Xiao-Qing; Zhao, Chang-Qiu","Variable mechanism of nucleophilic substitution of P-stereogenic phosphoryl chloride with alkynyl metallic reagents.","Organic & biomolecular chemistry","2016","14","5","1702","1706","10.1039/c5ob01871d","","","0.71073","MoKα","","0.2086","0.1142","","","0.2511","0.3049","","","","","","0.919","","","","has coordinates","176178","2020-10-21","18:00:00",""
"7154846","11.6441","0.0004","19.004","0.0011","15.7545","0.0008","90","","104.803","0.003","90","","3370.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl N4 O5 -","- C36 H39 Cl N4 O5 -","- C144 H156 Cl4 N16 O20 -","4","1","","Temprano, Álvaro G; Monleón, Laura M; Rubio, Omayra H.; Rubio, Luis Simón; Pérez, Asunción B; Sanz, Francisca; Morán, Joaquín R","A highly selective receptor for zwitterionic proline.","Organic & biomolecular chemistry","2016","14","4","1325","1331","10.1039/c5ob02387d","","","1.54178","CuKα","","0.1818","0.1032","","","0.2658","0.3048","","","","","","1.104","","","","has coordinates","176159","2020-10-21","18:00:00",""
"7154847","8.4156","0.0005","11.6638","0.0008","14.9936","0.0008","87.286","0.005","83.22","0.004","82.716","0.005","1448.87","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 Cl N4 O4 -","- C32 H33 Cl N4 O4 -","- C64 H66 Cl2 N8 O8 -","2","1","","Temprano, Álvaro G; Monleón, Laura M; Rubio, Omayra H.; Rubio, Luis Simón; Pérez, Asunción B; Sanz, Francisca; Morán, Joaquín R","A highly selective receptor for zwitterionic proline.","Organic & biomolecular chemistry","2016","14","4","1325","1331","10.1039/c5ob02387d","","","1.54178","CuKα","","0.2429","0.1298","","","0.3206","0.4035","","","","","","2.257","","","","has coordinates","176159","2020-10-21","18:00:00",""
"7154848","10.0374","0.0001","12.6398","0.0001","21.0812","0.0002","90","","90","","90","","2674.59","0.04","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","LM-56","compound 1","","- C28 H38 O11 -","- C28 H38 O11 -","- C112 H152 O44 -","4","1","","An, Fa-Liang; Luo, Jun; Wang, Xiao-Bing; Yang, Ming-Hua; Kong, Ling-Yi","Trichiconlides A and B: two novel limonoids from the fruits of Trichilia connaroides.","Organic & biomolecular chemistry","2016","14","4","1231","1235","10.1039/c5ob02300a","","","1.54184","CuKα","","0.0395","0.0393","","","0.111","0.1114","","","","","","1.078","","","","has coordinates,has disorder","176157","2020-10-21","18:00:00",""
"7154849","8.1681","0.0014","11.8","0.002","12.478","0.002","114.931","0.003","91.661","0.003","99.121","0.003","1070.6","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 F3 N O6 S -","- C19 H22 F3 N O6 S -","- C38 H44 F6 N2 O12 S2 -","2","1","","Liu, Yufen; Du, Yanlong; Yu, Aimin; Mu, Haifeng; Meng, Xiangtai","DABCO-catalyzed unusual [4 + 2] cycloaddition reaction: non-substituted allenoate acts as a four-carbon synthon and facile synthesis of spirooxindoles.","Organic & biomolecular chemistry","2016","14","4","1226","1230","10.1039/c5ob02383a","","","0.71073","MoKα","","0.1053","0.0605","","","0.1631","0.1914","","","","","","1.044","","","","has coordinates","176153","2020-10-21","18:00:00",""
"7154850","17.0861","0.0005","17.2584","0.0007","17.3652","0.0007","66.864","0.004","87.873","0.003","66.771","0.003","4284.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Br N O6 -","- C22 H24 Br N O6 -","- C176 H192 Br8 N8 O48 -","8","4","","Liu, Yufen; Du, Yanlong; Yu, Aimin; Mu, Haifeng; Meng, Xiangtai","DABCO-catalyzed unusual [4 + 2] cycloaddition reaction: non-substituted allenoate acts as a four-carbon synthon and facile synthesis of spirooxindoles.","Organic & biomolecular chemistry","2016","14","4","1226","1230","10.1039/c5ob02383a","","","1.54184","CuKα","","0.0593","0.0495","","","0.125","0.1299","","","","","","0.959","","","","has coordinates,has disorder","176153","2020-10-21","18:00:00",""
"7154851","10.0957","0.0006","10.7765","0.0006","18.4533","0.0011","95.177","0.001","90.51","0.001","94.559","0.001","1992.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C84 H92 N4 O24 -","4","2","","Liu, Yufen; Du, Yanlong; Yu, Aimin; Mu, Haifeng; Meng, Xiangtai","DABCO-catalyzed unusual [4 + 2] cycloaddition reaction: non-substituted allenoate acts as a four-carbon synthon and facile synthesis of spirooxindoles.","Organic & biomolecular chemistry","2016","14","4","1226","1230","10.1039/c5ob02383a","","","0.71073","MoKα","","0.0579","0.0415","","","0.0892","0.0982","","","","","","1.015","","","","has coordinates,has disorder","176153","2020-10-21","18:00:00",""
"7154852","6.95182","0.00016","12.228","0.0003","30.5046","0.0006","90","","95.654","0.002","90","","2580.48","0.1","110.05","0.1","110.05","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(3aRS,5aRS,9aRS,9bRS)-5a-methyl-3,9-dimethylenedecahydronaphtho[1,2-b]furan-2(9bH)-one","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","2","","Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P.","A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products.","Organic & biomolecular chemistry","2016","14","5","1641","1645","10.1039/c5ob02579f","","x-ray","1.54184","CuKα","","0.0633","0.0487","","","0.1285","0.1362","","","","","","1.039","","","","has coordinates","176187","2020-10-21","18:00:00",""
"7154853","7.4631","0.0004","8.1068","0.0004","10.7071","0.0005","89.047","0.004","89.71","0.004","89.044","0.004","647.61","0.06","132","30","132","30","","","","","","","","3","P -1","-P 1","2","","(3aRS,5aRS,9aSR,9bRS)-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P.","A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products.","Organic & biomolecular chemistry","2016","14","5","1641","1645","10.1039/c5ob02579f","","x-ray","1.54181","CuKα","","0.0439","0.0395","","","0.108","0.1119","","","","","","1.05","","","","has coordinates,has disorder","176187","2020-10-21","18:00:00",""
"7154854","23.0721","0.001","6.5804","0.0002","26.2324","0.0011","90","","117.509","0.005","90","","3532.4","0.3","110.05","0.1","110.05","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4aSR,8SR,8aSR)-8-((tert-butyldimethylsilyl)oxy)-4a-methyloctahydronaphthalen-1(2H)-one","","- C17 H32 O2 Si -","- C17 H32 O2 Si -","- C136 H256 O16 Si8 -","8","1","","Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P.","A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products.","Organic & biomolecular chemistry","2016","14","5","1641","1645","10.1039/c5ob02579f","","x-ray","1.54184","CuKα","","0.0386","0.0349","","","0.0925","0.0961","","","","","","1.043","","","","has coordinates","176187","2020-10-21","18:00:00",""
"7154855","9.7918","0.0015","10.8744","0.0017","17.136","0.003","90","","90","","90","","1824.6","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O4 -","- C20 H16 Br N O4 -","- C80 H64 Br4 N4 O16 -","4","1","","Zhu, Ling; Yu, Chenxia; Li, Tuanjie; Wang, Yuhong; Lu, Yinan; Wang, Wenjing; Yao, Changsheng","N-Heterocyclic carbene-catalyzed [4 + 2] cyclization of α,β-unsaturated carboxylic acids bearing γ-H with isatins: an enantioselective synthesis of spirocyclic oxindole-dihydropyranones.","Organic & biomolecular chemistry","2016","14","4","1485","1491","10.1039/c5ob02160j","","","0.71073","MoKα","","0.0347","0.0284","","","0.0742","0.077","","","","","","1.053","","","","has coordinates","176155","2020-10-21","18:00:00",""
"7154856","6.8943","0.0002","11.6898","0.0004","32.2785","0.0011","90","","90","","90","","2601.42","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Suprasterol analog","","- C27 H46 O4 -","- C27 H46 O4 -","- C108 H184 O16 -","4","1","","Kulesza, Urszula; Plum, Lori A.; DeLuca, Hector F.; Mouriño, Antonio; Sicinski, Rafal R.","A new suprasterol by photochemical reaction of 1α,25-dihydroxy-9-methylene-19-norvitamin D3.","Organic & biomolecular chemistry","2016","14","5","1646","1652","10.1039/c5ob01896j","","","0.71073","MoKα","","0.0592","0.043","","","0.0914","0.099","","","","","","1.04","","","","has coordinates","176180","2020-10-21","18:00:00",""
"7154857","21.0057","0.0003","4.0646","0.0001","12.0663","0.0002","90","","90","","90","","1030.22","0.03","200","0.1","200","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N5 S -","- C9 H11 N5 S -","- C36 H44 N20 S4 -","4","1","","Murray, Paul M.; Bellany, Fiona; Benhamou, Laure; Bučar, Dejan-Krešimir; Tabor, Alethea B.; Sheppard, Tom D.","The application of design of experiments (DoE) reaction optimisation and solvent selection in the development of new synthetic chemistry.","Organic & biomolecular chemistry","2016","14","8","2373","2384","10.1039/c5ob01892g","","x-ray","1.54184","CuKα","","0.0272","0.0261","","","0.0674","0.0684","","","","","","1.063","","","","has coordinates","177919","2020-10-21","18:00:00",""
"7154858","7.5439","0.0001","23.345","0.0004","5.8584","0.0001","90","","96.946","0.002","90","","1024.16","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N5 S -","- C9 H11 N5 S -","- C36 H44 N20 S4 -","4","1","","Murray, Paul M.; Bellany, Fiona; Benhamou, Laure; Bučar, Dejan-Krešimir; Tabor, Alethea B.; Sheppard, Tom D.","The application of design of experiments (DoE) reaction optimisation and solvent selection in the development of new synthetic chemistry.","Organic & biomolecular chemistry","2016","14","8","2373","2384","10.1039/c5ob01892g","","x-ray","1.54184","CuKα","","0.0339","0.0314","","","0.0843","0.0875","","","","","","1.046","","","","has coordinates","177919","2020-10-21","18:00:00",""
"7154859","16.6008","0.0008","13.5612","0.0007","21.8151","0.0011","90","","106.926","0.001","90","","4698.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-3-chloro-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((phenylthio)imino)-3,4,5,6,7,8-hexahydro-2H-chromene-3-carbonitrile","","- C24 H20 Cl2 N2 O2 S -","- C24 H20 Cl2 N2 O2 S -","- C192 H160 Cl16 N16 O16 S8 -","8","2","","Kale, Ashok; Chennapuram, Madhu; Bingi, Chiranjeevi; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","One pot oxidative N-S bond formation to access 2-sulfenylimine chromenes.","Organic & biomolecular chemistry","2015","14","2","582","589","10.1039/c5ob01790d","","","0.71073","MoKα","","0.0842","0.0633","","","0.1341","0.1452","","","","","","1.128","","","","has coordinates","172040","2020-10-21","18:00:00",""
"7154860","16.6528","0.0007","6.6881","0.0003","13.5348","0.0006","90","","113.809","0.002","90","","1379.16","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3'-carbonylbis(4<i>H</i>-chromen-4-one)","","- C19 H10 O5 -","- C19 H10 O5 -","- C76 H40 O20 -","4","1","","Miliutina, Mariia; Ejaz, Syeda Abida; Iaroshenko, Viktor O.; Villinger, Alexander; Iqbal, Jamshed; Langer, Peter","Synthesis of 3,3'-carbonyl-bis(chromones) and their activity as mammalian alkaline phosphatase inhibitors.","Organic & biomolecular chemistry","2015","14","2","495","502","10.1039/c5ob01350j","","","0.71073","MoKα","","0.0484","0.041","","","0.1032","0.1076","","","","","","1.021","","","","has coordinates","172041","2020-10-21","18:00:00",""
"7154861","6.9459","0.0003","8.6534","0.0004","14.8426","0.0007","74.281","0.002","81.211","0.002","68.824","0.002","799.27","0.06","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","3,3'-carbonylbis(6-methoxy-4<i>H</i>-chromen-4-one)","","- C21 H14 O7 -","- C21 H14 O7 -","- C42 H28 O14 -","2","1","","Miliutina, Mariia; Ejaz, Syeda Abida; Iaroshenko, Viktor O.; Villinger, Alexander; Iqbal, Jamshed; Langer, Peter","Synthesis of 3,3'-carbonyl-bis(chromones) and their activity as mammalian alkaline phosphatase inhibitors.","Organic & biomolecular chemistry","2015","14","2","495","502","10.1039/c5ob01350j","","","0.71073","MoKα","","0.0491","0.0387","","","0.0984","0.1057","","","","","","1.062","","","","has coordinates","172041","2020-10-21","18:00:00",""
"7154862","4.7377","0.0005","21.5338","0.0019","10.5144","0.0008","90","","101.413","0.009","90","","1051.48","0.17","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Imidacloprid-olefin","","","- C9 H8 Cl N5 O2 -","- C9 H8 Cl N5 O2 -","- C36 H32 Cl4 N20 O8 -","4","1","","Fusetto, Roberto; White, Jonathan M.; Hutton, Craig A.; O'Hair, Richard A J","Structure of olefin-imidacloprid and gas-phase fragmentation chemistry of its protonated form.","Organic & biomolecular chemistry","2016","14","5","1715","1726","10.1039/c5ob02371h","","","1.5418","CuKα","","0.0654","0.0525","","","0.1398","0.1554","","","","","","1.091","","","","has coordinates","176175","2020-10-21","18:00:00",""
"7154863","6.892","0.0014","16.172","0.003","25.048","0.006","90","","100.1","0.03","90","","2748.5","1","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 N2 -","- C38 H26 N2 -","- C152 H104 N8 -","4","1","","Ge, Qingmei; Li, Bin; Wang, Baiquan","Synthesis of substituted benzo[ij]imidazo[2,1,5-de]quinolizine by rhodium(iii)-catalyzed multiple C-H activation and annulations.","Organic & biomolecular chemistry","2016","14","5","1814","1821","10.1039/c5ob02515j","","","0.71073","MoKα","","0.0989","0.0668","","","0.1513","0.169","","","","","","1.064","","","","has coordinates,has disorder","176176","2020-10-21","18:00:00",""
"7154864","16.4941","0.0007","16.4941","0.0007","24.5221","0.0009","90","","90","","90","","6671.4","0.5","100","0.1","100","0.1","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C69 H78 Cl2 N4 O14 -","- C69 H78 Cl2 N4 O14 -","- C276 H312 Cl8 N16 O56 -","4","0.5","","Grzybowski, Marek; Jeżewski, Artur; Deperasińska, Irena; Friese, Daniel H.; Banasiewicz, Marzena; Hugues, Vincent; Kozankiewicz, Bolesław; Blanchard-Desce, Mireille; Gryko, Daniel T.","Solvatofluorochromic, non-centrosymmetric π-expanded diketopyrrolopyrrole.","Organic & biomolecular chemistry","2016","14","6","2025","2033","10.1039/c5ob02583d","","","1.54184","CuKα","","0.1402","0.0749","","","0.1875","0.2164","","","","","","0.961","","","","has coordinates","176172","2020-10-21","18:00:00",""
"7154865","8.894","0.003","8.626","0.003","23.755","0.009","90","","99.61","0.007","90","","1796.9","1.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Mayakrishnan, Sivakalai; Arun, Yuvaraj; Balachandran, Chandrasekar; Emi, Nobuhiko; Muralidharan, Doraiswamy; Perumal, Paramasivan Thirumalai","Synthesis of cinnolines via Rh(iii)-catalysed dehydrogenative C-H/N-H functionalization: aggregation induced emission and cell imaging.","Organic & biomolecular chemistry","2016","14","6","1958","1968","10.1039/c5ob02045j","","","0.71073","MoKα","","0.0986","0.0524","","","0.125","0.147","","","","","","1.004","","","","has coordinates","176173","2020-10-21","18:00:00",""
"7154866","12.02","0.003","12.515","0.005","15.361","0.005","89.45","0.02","69.94","0.014","72.86","0.016","2063.4","1.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H36 Cl N3 O3 -","- C43 H36 Cl N3 O3 -","- C86 H72 Cl2 N6 O6 -","2","2","","Huang, Huicai; Bihani, Manisha; Zhao, John C.-G.","Stereoselective synthesis of spirooxindole derivatives using an organocatalyzed tandem Michael-Michael reaction.","Organic & biomolecular chemistry","2016","14","5","1755","1763","10.1039/c5ob02348c","","","0.71073","MoKα","","0.1406","0.1237","","","0.3204","0.3419","","","","","","1.954","","","","has coordinates","176179","2020-10-21","18:00:00",""
"7154867","9.9232","0.0013","21.836","0.002","11.4086","0.0013","90","","96.272","0.004","90","","2457.3","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 O3 P -","- C31 H27 O3 P -","- C124 H108 O12 P4 -","4","1","","Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.","Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.","Organic & biomolecular chemistry","2016","14","5","1794","1804","10.1039/c5ob02467f","","","0.71075","MoKα","","0.0523","0.0484","","","0.1405","0.143","","","","","","1.041","","","","has coordinates","176181","2020-10-21","18:00:00",""
"7154868","11.829","0.003","11.011","0.003","16.248","0.004","90","","93.341","0.007","90","","2112.7","0.9","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 O2 P -","- C26 H27 O2 P -","- C104 H108 O8 P4 -","4","1","","Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.","Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.","Organic & biomolecular chemistry","2016","14","5","1794","1804","10.1039/c5ob02467f","","","0.71075","MoKα","","0.041","0.0369","","","0.109","0.1113","","","","","","1.078","","","","has coordinates","176181","2020-10-21","18:00:00",""
"7154869","9.345","0.004","10.512","0.003","14.341","0.004","98.497","0.002","106.816","0.011","110.513","0.008","1213.3","0.7","125","","125","","","","","","","","","4","P 1","P 1","1","","","","- C28 H29 O5 P -","- C28 H29 O5 P -","- C56 H58 O10 P2 -","2","2","","Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.","Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.","Organic & biomolecular chemistry","2016","14","5","1794","1804","10.1039/c5ob02467f","","","1.54187","CuKα","","0.0589","0.057","","","0.1352","0.1371","","","","","","1.027","","","","has coordinates","176181","2020-10-21","18:00:00",""
"7154870","10.0529","0.0007","10.0781","0.0008","13.2162","0.0009","79.723","0.005","74.59","0.006","72.609","0.007","1224.69","0.16","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","(rac)-(5S,6S,7S,8R)-Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-5-(3,4,5-trimethoxyphenyl) -7-( dimethoxyphosphoryl)-, methyl ester","","- C24 H29 O11 P -","- C24 H29 O11 P -","- C48 H58 O22 P2 -","2","1","","Koprowski, Marek; Bałczewski, Piotr; Owsianik, Krzysztof; Różycka-Sokołowska, Ewa; Marciniak, Bernard","Total synthesis of (±)-epithuriferic acid methyl ester via Diels-Alder reaction.","Organic & biomolecular chemistry","2016","14","5","1822","1830","10.1039/c5ob02368h","","x-ray","1.54184","CuKα","","0.0663","0.0589","","","0.1887","0.2115","","","","","","1.156","","","","has coordinates","176185","2020-10-21","18:00:00",""
"7154871","10.9953","0.0004","27.3594","0.0008","9.1869","0.0004","90","","111.321","0.004","90","","2574.5","0.18","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(rac)-(5R,6R,7S,8R)-5,8-Epoxynaphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-7-(dimethoxyphosphoryl) -5-(3,4,5-trimethoxyphenyl)-, methyl ester","","- C24 H27 O11 P -","- C24 H27 O11 P -","- C96 H108 O44 P4 -","4","1","","Koprowski, Marek; Bałczewski, Piotr; Owsianik, Krzysztof; Różycka-Sokołowska, Ewa; Marciniak, Bernard","Total synthesis of (±)-epithuriferic acid methyl ester via Diels-Alder reaction.","Organic & biomolecular chemistry","2016","14","5","1822","1830","10.1039/c5ob02368h","","","0.71073","MoKα","","0.0664","0.0599","","","0.1806","0.1879","","","","","","1.076","","","","has coordinates,has disorder","176185","2020-10-21","18:00:00",""
"7154872","9.9116","0.0019","24.089","0.004","12.239","0.002","90","","95.877","0.003","90","","2906.8","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(N-Cbz-D-Ser-L-Ala-N-Me-L-Cys-N-Me-D-Val)2 (Serine-hydroxy)-Dilactone Disulfide","","- C52 H74 N8 O16 S2 -","- C52 H74 N8 O16 S2 -","- C104 H148 N16 O32 S4 -","2","1","","Hattori, Kozo; Koike, Kota; Okuda, Kensuke; Hirayama, Tasuku; Ebihara, Masahiro; Takenaka, Mei; Nagasawa, Hideko","Solution-phase synthesis and biological evaluation of triostin A and its analogues.","Organic & biomolecular chemistry","2016","14","6","2090","2111","10.1039/c5ob02505b","","","0.71075","MoKα","","0.1015","0.0604","","","0.0976","0.1139","","","","","","1.079","","","","has coordinates,has disorder","176167","2020-10-21","18:00:00",""
"7154873","15.515","0.004","17.783","0.005","22.102","0.006","90","","90","","90","","6098","3","138","2","138","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-(Quinoxaline-2-carbonyl)-D-Ser-L-Ala-N-Me-L-Cys-N-Me-D-Val]2 (Serine-hydroxy)-Dilactone Disulfide","","- C50 H68 N12 O15 S2 -","- C50 H62 N12 O15 S2 -","- C200 H248 N48 O60 S8 -","4","1","","Hattori, Kozo; Koike, Kota; Okuda, Kensuke; Hirayama, Tasuku; Ebihara, Masahiro; Takenaka, Mei; Nagasawa, Hideko","Solution-phase synthesis and biological evaluation of triostin A and its analogues.","Organic & biomolecular chemistry","2016","14","6","2090","2111","10.1039/c5ob02505b","","","0.71075","MoKα","","0.2746","0.1654","","","0.372","0.4402","","","","","","1.098","","","","has coordinates","176167","2020-10-21","18:00:00",""
"7154874","9.2664","0.0007","23.3329","0.0017","14.1502","0.0011","90","","107.667","0.002","90","","2915.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 N3 O2 -","- C34 H37 N3 O2 -","- C136 H148 N12 O8 -","4","1","","Biswal, Biswonath; Mallick, Debajani; Bag, Bamaprasad","Signaling preferences of substituted pyrrole coupled six-membered rhodamine spirocyclic probes for Hg(2+) ion detection.","Organic & biomolecular chemistry","2016","14","7","2241","2248","10.1039/c5ob02606g","","","0.71073","MoKα","","0.1674","0.0872","","","0.2039","0.25","","","","","","1.044","","","","has coordinates","177899","2020-10-21","18:00:00",""
"7154875","11.9899","0.0009","12.8443","0.0013","13.7345","0.0009","106.461","0.007","90.28","0.006","95.846","0.007","2016.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O5 -","- C25 H17 N O5 -","- C100 H68 N4 O20 -","4","2","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","1.54184","CuKα","","0.1308","0.0947","","","0.2736","0.3265","","","","","","1.043","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7154876","9.1585","0.0003","15.4867","0.0004","15.0435","0.0004","90","","107.598","0.003","90","","2033.84","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H17 N O5 -","- C25 H17 N O5 -","- C100 H68 N4 O20 -","4","2","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","0.71073","MoKα","","0.0675","0.047","","","0.1211","0.1394","","","","","","1.097","","","","has coordinates","176169","2020-10-21","18:00:00",""
"7154877","9.2495","0.001","8.8594","0.0007","26.022","0.003","90","","115.322","0.012","90","","1927.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","0.71073","MoKα","","0.0991","0.0685","","","0.2078","0.258","","","","","","1.108","","","","has coordinates","176169","2020-10-21","18:00:00",""
"7154878","8.3205","0.0003","26.25","0.001","8.5535","0.0003","90","","100.859","0.004","90","","1834.74","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N O4 -","- C22 H18 F N O4 -","- C88 H72 F4 N4 O16 -","4","1","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","0.71073","MoKα","","0.0788","0.0597","","","0.1934","0.2293","","","","","","1.163","","","","has coordinates","176169","2020-10-21","18:00:00",""
"7154879","8.9739","0.0013","9.832","0.0014","11.477","0.0016","108.891","0.003","91.301","0.003","95.799","0.003","951.5","0.2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","ritmc11","","","- C20 H21 Cl O2 Si -","- C20 H21 Cl O2 Si -","- C40 H42 Cl2 O4 Si2 -","2","1","","Thomas, Thomas J.; Merritt, Benjamin A.; Lemma, Betsegaw E.; McKoy, Adina M.; Nguyen, Tri; Swenson, Andrew K.; Mills, Jeffrey L.; Coleman, Michael G.","Cyclopropenation of internal alkynylsilanes and diazoacetates catalyzed by copper(i) N-heterocyclic carbene complexes.","Organic & biomolecular chemistry","2016","14","5","1742","1747","10.1039/c5ob02259b","","","0.71073","MoKα","","0.0417","0.0334","","","0.093","0.0985","","","","","","1.041","","","","has coordinates","176177","2020-10-21","18:00:00",""
"7154880","9.3651","0.0003","19.533","0.0006","12.7944","0.0004","90","","109.83","0.001","90","","2201.68","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 N5 O5 S3 -","- C17 H27 N5 O5 S3 -","- C68 H108 N20 O20 S12 -","4","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0433","0.0321","","","0.0782","0.0835","","","","","","1.021","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154881","8.9413","0.0004","11.7201","0.0005","13.5584","0.0006","95.727","0.001","94.027","0.001","105.992","0.001","1351.91","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Cl2 N3 O7 S2 -","- C24 H29 Cl2 N3 O7 S2 -","- C48 H58 Cl4 N6 O14 S4 -","2","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0358","0.0307","","","0.0766","0.0801","","","","","","0.993","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154882","8.9873","0.0005","11.099","0.0006","13.0584","0.0007","70.595","0.001","76.291","0.001","83.975","0.002","1193.09","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N3 O6 S2 -","- C23 H27 N3 O6 S2 -","- C46 H54 N6 O12 S4 -","2","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0502","0.0379","","","0.1018","0.1091","","","","","","1.016","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154883","11.7894","0.0015","14.752","0.002","14.5737","0.0019","90","","113.86","","90","","2318","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N3 O6 S2 -","- C23 H27 N3 O6 S2 -","- C92 H108 N12 O24 S8 -","4","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0761","0.0391","","","0.0681","0.0748","","","","","","0.816","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154884","12.9462","0.0007","14.7915","0.0007","21.2167","0.0008","90","","90","","90","","4062.9","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N3 O6 S -","- C18 H23 N3 O6 S -","- C144 H184 N24 O48 S8 -","8","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0996","0.0565","","","0.1307","0.1488","","","","","","1.062","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154885","8.926","0.0008","15.4665","0.0007","17.789","0.0015","90","","99.9","0.003","90","","2419.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N4 O3 S -","- C27 H28 N4 O3 S -","- C108 H112 N16 O12 S4 -","4","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.1628","0.0734","","","0.1359","0.1645","","","","","","1.015","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154886","22.546","0.014","9.314","0.01","10.283","0.009","90","","98.43","0.06","90","","2136","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O3 -","- C25 H30 N2 O3 -","- C100 H120 N8 O12 -","4","1","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.0697","0.0415","","","0.0902","0.0974","","","","","","0.869","","","","has coordinates","176168","2020-10-21","18:00:00",""
"7154887","12.1292","0.0018","14.039","0.002","12.6549","0.0019","90","","115.27","0.003","90","","1948.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 N O4 Si -","- C17 H31 N O4 Si -","- C68 H124 N4 O16 Si4 -","4","1","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.0645","0.0408","","","0.0901","0.0961","","","","","","0.896","","","","has coordinates","176168","2020-10-21","18:00:00",""
"7154888","10.4841","0.0007","13.2138","0.0009","33.919","0.002","90","","93.494","0.001","90","","4690.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C208 H264 N8 O40 -","8","2","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.094","0.0449","","","0.0962","0.1167","","","","","","0.87","","","","has coordinates","176168","2020-10-21","18:00:00",""
"7154889","11.874","0.003","18.239","0.004","9.829","0.002","90","","94.881","0.004","90","","2120.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C96 H112 N8 O12 -","4","1","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.1041","0.0534","","","0.0905","0.1032","","","","","","0.928","","","","has coordinates","176168","2020-10-21","18:00:00",""
"7154890","13.818","0.002","14.714","0.002","14.863","0.003","76.01","0.004","82.84","0.004","70.291","0.003","2757.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N3 O7 S -","- C30 H30 N3 O7 S -","- C120 H120 N12 O28 S4 -","4","2","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.2054","0.0668","","","0.1249","0.2176","","","","","","0.82","","","","has coordinates,has disorder","176168","2020-10-21","18:00:00",""
"7154891","12.5236","0.0003","7.538","0.0002","12.9539","0.0003","90","","92.676","0.002","90","","1221.55","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 S2 -","- C24 H30 N2 O6 S2 -","- C48 H60 N4 O12 S4 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0556","0.0482","","","0.1157","0.123","","","","","","1.037","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154892","13.1356","0.0002","7.0352","0.0001","14.6189","0.0002","90","","112.865","0.0008","90","","1244.81","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 S2 -","- C24 H30 N2 O6 S2 -","- C48 H60 N4 O12 S4 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0546","0.0474","","","0.1106","0.13","","","","","","1.28","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154893","8.1388","0.0002","9.6226","0.0002","9.754","0.0002","117.197","0.0015","112.306","0.0017","92.1331","0.0015","607.64","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C28 H22 N2 O4 S2 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0415","0.0347","","","0.0909","0.0958","","","","","","1.046","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154894","4.7902","0.0001","12.6722","0.0002","16.8843","0.0003","90","","90","","90","","1024.92","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","1.54184","CuKα","","0.044","0.0418","","","0.1174","0.1206","","","","","","1.062","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154895","27.353","0.006","10.741","0.002","26.149","0.005","90","","107.5","0.03","90","","7327","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetrabutylammonium di(bis(diphenylphosphino)methane)hexacyanodimolybdate .dihydrate.2 acetonitrile","","- C76 H90 Mo2 N9 O2 P4 -","- C76 H90 Mo2 N9 O2 P4 -","- C304 H360 Mo8 N36 O8 P16 -","4","0.5","","Badigenchala, Sindhura; Rajeshkumar, Venkatachalam; Sekar, Govindasamy","Iodine mediated intramolecular C2-amidative cyclization of indoles: a facile access to indole fused tetracycles.","Organic & biomolecular chemistry","2016","14","7","2297","2305","10.1039/c5ob02449h","","","0.71073","MoKα","","0.0995","0.0602","","","0.1166","0.1311","","","","","","1.052","","","","has coordinates","177905","2020-10-21","18:00:00",""
"7154896","12.1784","0.0003","10.455","0.0002","22.4818","0.0004","90","","99.8798","0.0018","90","","2820.05","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H88 O11 Si -","- C55 H88 O11 Si -","- C110 H176 O22 Si2 -","2","1","","Zhang, Wenxuan; Wu, Jun; Li, Bo; Wu, Hongna; Wang, Liu; Hao, Jie; Wu, Song; Zhou, Qi","Structure-activity & structure-toxicity relationship study of salinomycin diastereoisomers and their benzoylated derivatives.","Organic & biomolecular chemistry","2016","14","10","2840","2845","10.1039/c5ob02303c","","x-ray","1.54184","CuKα","","0.0541","0.0447","","","0.1202","0.1312","","","","","","1.021","","","","has coordinates","177910","2020-10-21","18:00:00",""
"7154897","12.087","0.003","21.192","0.005","12.419","0.003","90","","93.461","0.005","90","","3175.3","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H28 N3 O6 P -","- C36 H28 N3 O6 P -","- C144 H112 N12 O24 P4 -","4","1","","Chuang, Shih-Ching; Sung, Shih-Ping; Deng, Jie-Cheng; Chiou, Mong-Feng; Hsu, Day-Shin","Multicomponent reactions of phosphines, enynedioates and benzylidene malononitriles generated highly substituted cyclopentenes through an unexpected phosphine α-addition-δ-evolvement of an anion pathway.","Organic & biomolecular chemistry","2016","14","7","2306","2317","10.1039/c5ob02445e","","","0.71073","MoKα","","0.0269","0.0259","","","0.0619","0.0627","","","","","","1.031","","","","has coordinates","177906","2020-10-21","18:00:00",""
"7154898","10.4651","0.0007","27.3604","0.0018","11.6914","0.0009","90","","112.634","0.002","90","","3089.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N3 O6 P -","- C36 H28 N3 O6 P -","- C144 H112 N12 O24 P4 -","4","1","","Chuang, Shih-Ching; Sung, Shih-Ping; Deng, Jie-Cheng; Chiou, Mong-Feng; Hsu, Day-Shin","Multicomponent reactions of phosphines, enynedioates and benzylidene malononitriles generated highly substituted cyclopentenes through an unexpected phosphine α-addition-δ-evolvement of an anion pathway.","Organic & biomolecular chemistry","2016","14","7","2306","2317","10.1039/c5ob02445e","","","0.71073","MoKα","","0.0635","0.0424","","","0.1242","0.162","","","","","","1.106","","","","has coordinates","177906","2020-10-21","18:00:00",""
"7154899","9.6198","0.0008","11.1689","0.0009","13.4682","0.0006","113.744","0.006","93.929","0.005","90.612","0.007","1320.3","0.18","251","18","251","18","","","","","","","","5","P -1","-P 1","2","","spiroindolopyrrole","","- C32 H24 Br N3 O3 -","- C32 H24 Br N3 O3 -","- C64 H48 Br2 N6 O6 -","2","1","","Muthusamy, Sengodagounder; Kumar, Singaravelan Ganesh","Copper(i) catalyzed diastereoselective multicomponent synthesis of spiroindolo-pyrrolidines/-imidazolidines/-triazolidines from diazoamides via azomethine ylides.","Organic & biomolecular chemistry","2016","14","7","2228","2240","10.1039/c5ob02322j","","","0.7107","MoKα","","0.0877","0.0513","","","0.1299","0.162","","","","","","0.883","","","","has coordinates","177900","2020-10-21","18:00:00",""
"7154900","13.4366","0.0009","9.3183","0.0006","23.8673","0.0016","90","","91.562","0.001","90","","2987.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","spiroindoloimidazolidine","imidazolidine","","- C36 H31 N3 O3 S -","- C36 H31 N3 O3 S -","- C144 H124 N12 O12 S4 -","4","1","","Muthusamy, Sengodagounder; Kumar, Singaravelan Ganesh","Copper(i) catalyzed diastereoselective multicomponent synthesis of spiroindolo-pyrrolidines/-imidazolidines/-triazolidines from diazoamides via azomethine ylides.","Organic & biomolecular chemistry","2016","14","7","2228","2240","10.1039/c5ob02322j","","","0.71073","MoKα","","0.0633","0.05","","","0.1323","0.1412","","","","","","1.032","","","","has coordinates","177900","2020-10-21","18:00:00",""
"7154901","7.1207","0.0005","7.6201","0.0005","25.3427","0.0017","90","","96.993","0.001","90","","1364.88","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-(hydroxymethyl)phenyl)-2-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","x-ray","0.71073","MoKα","","0.0391","0.0376","","","0.107","0.1085","","","","","","1.1","","","","has coordinates","176174","2020-10-21","18:00:00",""
"7154902","5.8608","0.0011","13.688","0.003","27.498","0.005","90","","90","","90","","2206","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-N-(2-(((1-(Naphthalen-2-yl)ethyl)imino)methyl)phenyl)-2-naphthamide","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C120 H96 N8 O4 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","x-ray","0.71073","MoKα","","0.1676","0.1288","","","0.2958","0.3111","","","","","","1.075","","","","has coordinates","176174","2020-10-21","18:00:00",""
"7154903","24.4271","0.0014","3.7892","0.0003","14.3031","0.0007","90","","90","","90","","1323.88","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-formylphenyl)-2-naphthamide","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","","0.71073","MoKα","","0.0457","0.0372","","","0.0934","0.097","","","","","","1.06","","","","has coordinates","176174","2020-10-21","18:00:00",""
"7154904","11.98","0.003","13.777","0.003","14.492","0.003","83.296","0.005","80.97","0.005","87.489","0.005","2345.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H21 Cl2 N2 O3.5 -","- C25.5 H21 Cl2 N2 O3.5 -","- C102 H84 Cl8 N8 O14 -","4","2","","Zhao, Yulei; Duan, Qizhao; Zhou, Yuanyuan; Yao, Qiyi; Li, Yanzhong","Gold-catalyzed chemo- and diastereoselective C(sp(2))-H functionalization of enaminones for the synthesis of pyrrolo[3,4-c]-quinolin-1-one derivatives.","Organic & biomolecular chemistry","2016","14","7","2177","2181","10.1039/c5ob02556g","","","0.71073","MoKα","","0.1326","0.0787","","","0.1858","0.2211","","","","","","1.005","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7154905","7.0166","0.0005","13.28","0.0009","13.9998","0.001","66.514","0.001","85.309","0.001","89.301","0.001","1192.13","0.15","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Cl5 N2 O2 -","- C25 H17 Cl5 N2 O2 -","- C50 H34 Cl10 N4 O4 -","2","1","","Zhao, Yulei; Duan, Qizhao; Zhou, Yuanyuan; Yao, Qiyi; Li, Yanzhong","Gold-catalyzed chemo- and diastereoselective C(sp(2))-H functionalization of enaminones for the synthesis of pyrrolo[3,4-c]-quinolin-1-one derivatives.","Organic & biomolecular chemistry","2016","14","7","2177","2181","10.1039/c5ob02556g","","","0.71073","MoKα","","0.0681","0.0537","","","0.1357","0.1467","","","","","","1.053","","","","has coordinates","177903","2020-10-21","18:00:00",""
"7154906","10.8633","0.0016","11.9397","0.0018","12.4101","0.0019","88.791","0.002","73.634","0.002","78.963","0.002","1514.9","0.4","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C31 H41 N3 O5 S -","- C31 H41 N3 O5 S -","- C62 H82 N6 O10 S2 -","2","1","","Andreini, Manuel; Chapellas, Fabien; Diab, Sonia; Pasturaud, Karine; Piettre, Serge R.; Legros, Julien; Chataigner, Isabelle","Addition of 4-(cyclohex-1-en-1-yl)morpholine on 3-nitroindole: an unprecedented dearomatizing process.","Organic & biomolecular chemistry","2016","14","10","2833","2839","10.1039/c5ob02595h","","x-ray","0.71073","MoKα","","0.0755","0.0641","","","0.1804","0.1921","","","","","","1.024","","","","has coordinates","177914","2020-10-21","18:00:00",""
"7154907","15.3949","0.0014","9.5101","0.0009","16.3426","0.0015","90","","110.86","0.002","90","","2235.8","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C96 H104 N8 O16 S4 -","4","1","","Andreini, Manuel; Chapellas, Fabien; Diab, Sonia; Pasturaud, Karine; Piettre, Serge R.; Legros, Julien; Chataigner, Isabelle","Addition of 4-(cyclohex-1-en-1-yl)morpholine on 3-nitroindole: an unprecedented dearomatizing process.","Organic & biomolecular chemistry","2016","14","10","2833","2839","10.1039/c5ob02595h","","x-ray","0.71073","MoKα","","0.067","0.0545","","","0.1323","0.1416","","","","","","0.95","","","","has coordinates","177914","2020-10-21","18:00:00",""
"7154908","10.4217","0.0009","10.697","0.0009","11.331","0.001","68.223","0.001","65.391","0.001","66.066","0.001","1018.2","0.15","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C44 H44 N4 O12 -","2","1","","Andreini, Manuel; Chapellas, Fabien; Diab, Sonia; Pasturaud, Karine; Piettre, Serge R.; Legros, Julien; Chataigner, Isabelle","Addition of 4-(cyclohex-1-en-1-yl)morpholine on 3-nitroindole: an unprecedented dearomatizing process.","Organic & biomolecular chemistry","2016","14","10","2833","2839","10.1039/c5ob02595h","","x-ray","0.71073","MoKα","","0.0589","0.0491","","","0.1214","0.1288","","","","","","1.05","","","","has coordinates","177914","2020-10-21","18:00:00",""
"7154909","20.7675","0.0011","9.1432","0.0004","22.9483","0.0013","90","","90","","90","","4357.5","0.4","122","2","122","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C240 H160 N16 -","8","1","","Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.","Organic & biomolecular chemistry","2016","14","8","2403","2412","10.1039/c5ob02523k","","x-ray","0.71073","MoKα","","0.0682","0.0396","","","0.0814","0.0923","","","","","","1.032","","","","has coordinates","177918","2020-10-21","18:00:00",""
"7154910","8.4949","0.0003","9.3648","0.0004","13.7906","0.0006","109.695","0.0014","101.587","0.0012","94.8212","0.0013","998.07","0.07","122","","122","","","","","","","","","3","P -1","-P 1","2","","2,3,7-triphenylazulene-1-carbonitrile","","- C29 H19 N -","- C29 H19 N -","- C58 H38 N2 -","2","1","","Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.","Organic & biomolecular chemistry","2016","14","8","2403","2412","10.1039/c5ob02523k","","x-ray","0.71073","MoKα","","0.0757","0.0492","","","0.1197","0.1334","","","","","","1.023","","","","has coordinates","177918","2020-10-21","18:00:00",""
"7154911","7.8828","0.0006","19.5599","0.0018","15.6723","0.0015","90","","99.621","0.003","90","","2382.5","0.4","122","2","122","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 N Si -","- C28 H31 N Si -","- C112 H124 N4 Si4 -","4","1","","Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.","Organic & biomolecular chemistry","2016","14","8","2403","2412","10.1039/c5ob02523k","","","0.71073","MoKα","","0.0612","0.0402","","","0.1126","0.1301","","","","","","0.941","","","","has coordinates","177918","2020-10-21","18:00:00",""
"7154912","12.438","0.007","11.805","0.007","8.68","0.004","90","","105.022","0.011","90","","1230.9","1.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl-a-hydroxy(quinoline-2-yl)propanoate","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Kumar, Rakesh; Kumar, Inder; Sharma, Ritika; Sharma, Upendra","Catalyst and solvent-free alkylation of quinoline N-oxides with olefins: A direct access to quinoline-substituted α-hydroxy carboxylic derivatives.","Organic & biomolecular chemistry","2016","14","9","2613","2617","10.1039/c5ob02600h","","","1.5419","CuKα","","","0.0496","","","","0.1532","","","","","","1.134","","","","has coordinates","177931","2020-10-21","18:00:00",""
"7154913","7.1213","0.0003","8.9288","0.0003","29.9909","0.0012","90","","90","","90","","1906.96","0.13","105","","105","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19.35 H24.7 N2 O8 -","- C19.35 H24.7 N2 O8 -","- C77.4 H98.8 N8 O32 -","4","1","","Giacometti, Robert D.; Salinas, Juan C.; Østergaard, Michael E; Swayze, Eric E.; Seth, Punit P.; Hanessian, Stephen","Design, synthesis, and duplex-stabilizing properties of conformationally constrained tricyclic analogues of LNA.","Organic & biomolecular chemistry","2016","14","6","2034","2040","10.1039/c5ob02576a","","x-ray","1.34139","GaKα","","0.0436","0.0422","","","0.1084","0.1096","","","","","","1.096","","","","has coordinates,has disorder","176170","2020-10-21","18:00:00",""
"7154914","14.2003","0.0003","7.6452","0.0002","17.2049","0.0004","90","","113.49","0.001","90","","1713.05","0.07","100.15","","100.15","","","","","","","","Synthesized by the authors. See text.","4","P 1 21 1","P 2yb","4","","","","- C40 H35 N3 O10 -","- C40 H35 N3 O10 -","- C80 H70 N6 O20 -","2","1","","Giacometti, Robert D.; Salinas, Juan C.; Østergaard, Michael E; Swayze, Eric E.; Seth, Punit P.; Hanessian, Stephen","Design, synthesis, and duplex-stabilizing properties of conformationally constrained tricyclic analogues of LNA.","Organic & biomolecular chemistry","2016","14","6","2034","2040","10.1039/c5ob02576a","","x-ray","1.54178","CuKα","","0.0693","0.0555","","","0.1381","0.1437","","","","","","0.974","","","","has coordinates,has disorder","176170","2020-10-21","18:00:00",""
"7154915","8.8629","0.001","9.1256","0.001","10.0677","0.0011","64.158","0.002","68.43","0.002","81.687","0.002","681.4","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Cl N2 S -","- C15 H13 Cl N2 S -","- C30 H26 Cl2 N4 S2 -","2","1","","Ravi, Chitrakar; Chandra Mohan, Darapaneni; Adimurthy, Subbarayappa","Dual role of p-tosylchloride: copper-catalyzed sulfenylation and metal free methylthiolation of imidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","7","2282","2290","10.1039/c5ob02475g","","","0.71073","MoKα","","0.0352","0.0341","","","0.0917","0.0926","","","","","","1.084","","","","has coordinates","177904","2020-10-21","18:00:00",""
"7154916","9.1243","0.0003","11.1741","0.0003","13.3627","0.0005","90","","103.947","0.0013","90","","1322.24","0.08","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(4bS,4b1S,6R,7S,7aR,12bS)-7-(benzyloxy)-6-((benzyloxy)methyl)-4b1,6,7,7a,12b,13-hexahydro-4bH-benzo[h]chromeno[2,3,4-de]chromene","","- C33 H31 N O4 -","- C33 H31 N O4 -","- C66 H62 N2 O8 -","2","1","","Moshapo, Paseka T.; Sokamisa, Mokela; Mmutlane, Edwin M.; Mampa, Richard M.; Kinfe, Henok H.","A convenient domino Ferrier rearrangement-intramolecular cyclization for the synthesis of novel benzopyran-fused pyranoquinolines.","Organic & biomolecular chemistry","2016","14","24","5627","5638","10.1039/c5ob02536b","","","0.71073","MoKα","","0.0554","0.0404","","","0.0949","0.106","","","","","","1.097","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7154917","5.9198","0.0002","8.4943","0.0004","26.9054","0.0011","90","","90","","90","","1352.93","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br O S2 -","- C14 H11 Br O S2 -","- C56 H44 Br4 O4 S8 -","4","1","","Yu, Jin-Sheng; Wu, Wen-Biao; Zhou, Feng","The first catalytic asymmetric thioacetalization by chiral phosphoric acid catalysis.","Organic & biomolecular chemistry","2016","14","7","2205","2209","10.1039/c5ob02495a","","","0.71073","MoKα","","0.0316","0.0266","","","0.0608","0.063","","","","","","1.037","","","","has coordinates","177901","2020-10-21","18:00:00",""
"7154918","11.116","0.003","11.26","0.003","11.711","0.003","63.523","0.015","71.584","0.017","69.128","0.017","1204.2","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C54 H60 N4 O10 -","2","1","","Mane, Vaijinath; Pandey, Jyoti; Ayyagari, Narasihmam; Dey, Chandan; Kale, Raju; Namboothiri, Irishi N. N.","Synthesis of hydrazinoheterocycles from Morita-Baylis-Hillman adducts of nitroalkenes with azodicarboxylates.","Organic & biomolecular chemistry","2016","14","8","2427","2438","10.1039/c5ob02656c","","","0.71075","MoKα","","0.0527","0.0421","","","0.0969","0.1031","","","","","","1.04","","","","has coordinates","177924","2020-10-21","18:00:00",""
"7154919","9.777","0.005","10.159","0.005","10.306","0.005","102.265","0.007","100.48","0.006","90.508","0.008","982.4","0.8","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H27 N3 O6 -","- C16 H27 N3 O6 -","- C32 H54 N6 O12 -","2","1","","Mane, Vaijinath; Pandey, Jyoti; Ayyagari, Narasihmam; Dey, Chandan; Kale, Raju; Namboothiri, Irishi N. N.","Synthesis of hydrazinoheterocycles from Morita-Baylis-Hillman adducts of nitroalkenes with azodicarboxylates.","Organic & biomolecular chemistry","2016","14","8","2427","2438","10.1039/c5ob02656c","","","0.7107","MoKα","","","0.0518","","","","0.167","","","","","","0.733","","","","has coordinates","177924","2020-10-21","18:00:00",""
"7154920","8.0789","0.0005","5.2425","0.0005","31.267","0.002","90","","95.173","0.005","90","","1318.88","0.17","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 F2 -","- C14 H10 Br2 F2 -","- C56 H40 Br8 F8 -","4","1","","Galán, Elena; Perrin, Mickael L.; Lutz, Martin; van der Zant, Herre S. J.; Grozema, Ferdinand C.; Eelkema, Rienk","Synthesis of 1,2-biphenylethane based single-molecule diodes.","Organic & biomolecular chemistry","2016","14","8","2439","2443","10.1039/c6ob00008h","","","0.71073","MoKα","","0.0821","0.0675","","","0.1836","0.194","","","","","","1.18","","","","has coordinates","177917","2020-10-21","18:00:00",""
"7154921","6.4983","0.0017","10.457","0.003","27.274","0.007","90","","90","","90","","1853.3","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 I N O5 -","- C16 H20 I N O5 -","- C64 H80 I4 N4 O20 -","4","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.0905","0.0454","","","0.0756","0.0924","","","","","","1.017","","","","has coordinates","177902","2020-10-21","18:00:00",""
"7154922","9.834","0.0009","8.999","0.0008","14.7646","0.0014","90","","106.422","0.0014","90","","1253.3","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 I N O6 -","- C27 H26 I N O6 -","- C54 H52 I2 N2 O12 -","2","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.0352","0.0281","","","0.059","0.0626","","","","","","1.017","","","","has coordinates","177902","2020-10-21","18:00:00",""
"7154923","6.5131","0.0013","16.581","0.003","8.9446","0.0018","90","","95.961","0.003","90","","960.7","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 I N O5 -","- C17 H22 I N O5 -","- C34 H44 I2 N2 O10 -","2","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.048","0.0374","","","0.0725","0.0765","","","","","","0.964","","","","has coordinates","177902","2020-10-21","18:00:00",""
"7154924","9.9601","0.0008","10.8355","0.0007","23.6278","0.0013","90","","90","","90","","2550","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C112 H108 N4 O20 S4 -","4","1","","Li, Ji-Yao; Li, Zhi-Long; Zhao, Wei-Wei; Liu, Yan-Kai; Tong, Zhi-Ping; Tan, Rui","One-pot, highly efficient, asymmetric synthesis of ring-fused piperidine derivatives bearing N,O- or N,N-acetal moieties.","Organic & biomolecular chemistry","2016","14","8","2444","2453","10.1039/c5ob02571k","","","1.54184","CuKα","","0.0585","0.0479","","","0.1291","0.1383","","","","","","1.071","","","","has coordinates","177922","2020-10-21","18:00:00",""
"7154925","10.0985","0.0008","14.8716","0.0011","17.4835","0.0013","90","","90","","90","","2625.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N O5 S -","- C28 H31 N O5 S -","- C112 H124 N4 O20 S4 -","4","1","","Li, Ji-Yao; Li, Zhi-Long; Zhao, Wei-Wei; Liu, Yan-Kai; Tong, Zhi-Ping; Tan, Rui","One-pot, highly efficient, asymmetric synthesis of ring-fused piperidine derivatives bearing N,O- or N,N-acetal moieties.","Organic & biomolecular chemistry","2016","14","8","2444","2453","10.1039/c5ob02571k","","","0.71073","MoKα","","0.0364","0.0333","","","0.089","0.093","","","","","","1.043","","","","has coordinates,has disorder","177922","2020-10-21","18:00:00",""
"7154926","6.3758","0.0002","10.5378","0.0004","23.8709","0.0009","90","","90","","90","","1603.81","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-2-(4-phenylpiperidin-1-yl)-1,2-dihydronaphthalen-1-ol","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Xu, Xin; Chen, Jingchao; He, Zhenxiu; Zhou, Yongyun; Fan, Baomin","Rhodium-catalyzed asymmetric ring opening reaction of oxabenzonorbornadienes with amines using ZnI2 as the activator.","Organic & biomolecular chemistry","2016","14","8","2480","2486","10.1039/c5ob02331a","","","1.54178","CuKα","","0.0537","0.0536","","","0.1553","0.1554","","","","","","1.111","","","","has coordinates","177923","2020-10-21","18:00:00",""
"7154927","10.508","0.0011","35.761","0.004","9.515","0.0016","90","","107.758","0.006","90","","3405.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 F Fe N O2 -","- C20 H20 F Fe N O2 -","- C160 H160 F8 Fe8 N8 O16 -","8","2","","Gee, Yi Sing; Goertz, Neils J. M.; Gardiner, Michael G.; Hyland, Christopher J. T.","Oxidative ring-opening of ferrocenylcyclopropylamines to N-ferrocenylmethyl β-hydroxyamides.","Organic & biomolecular chemistry","2016","14","8","2498","2503","10.1039/c5ob02577j","","","0.7108","Synchrotron","","0.077","0.0624","","","0.1389","0.1474","","","","","","1.076","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7154928","15.109","0.003","14.423","0.003","17.631","0.004","90","","106.507","0.003","90","","3683.7","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3g","","- C36 H29 Cl2 N O4 S -","- C36 H29 Cl2 N O4 S -","- C144 H116 Cl8 N4 O16 S4 -","4","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0937","0.0524","","","0.1542","0.1706","","","","","","1.009","","","","has coordinates","177916","2020-10-21","18:00:00",""
"7154929","11.3232","0.0012","12.1598","0.0013","12.2434","0.0013","77.456","0.001","86.223","0.001","69.24","0.001","1538.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5","","- C34 H35 N O4 S -","- C34 H35 N O4 S -","- C68 H70 N2 O8 S2 -","2","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0934","0.0582","","","0.1578","0.1809","","","","","","1.032","","","","has coordinates","177916","2020-10-21","18:00:00",""
"7154930","23.7576","0.0014","12.0212","0.0007","21.1978","0.0013","90","","107.987","0.001","90","","5758.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6","","- C34 H33 N O4 S -","- C34 H33 N O4 S -","- C272 H264 N8 O32 S8 -","8","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0614","0.0417","","","0.1095","0.1233","","","","","","1.022","","","","has coordinates","177916","2020-10-21","18:00:00",""
"7154931","10.4254","0.0008","10.7238","0.0008","15.1044","0.0011","76.055","0.001","80.857","0.001","63.868","0.001","1468.68","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","7","","- C37 H29 N O5 S -","- C37 H29 N O5 S -","- C74 H58 N2 O10 S2 -","2","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0789","0.0479","","","0.1335","0.154","","","","","","1.035","","","","has coordinates","177916","2020-10-21","18:00:00",""
"7154932","16.478","0.0012","7.1238","0.0005","17.2258","0.0012","90","","101.934","0.004","90","","1978.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bodipy","","","- C21 H26 B F2 N3 O -","- C21 H26 B F2 N3 O -","- C84 H104 B4 F8 N12 O4 -","4","1","","Aydın Tekdaş, Duygu; Viswanathan, Geetha; Zehra Topal, Sevinc; Looi, Chung Yeng; Wong, Won Fen; Min Yi Tan, Grace; Zorlu, Yunus; Gürek, Ayşe Gül; Lee, Hong Boon; Dumoulin, Fabienne","Antimicrobial activity of a quaternized BODIPY against Staphylococcus strains.","Organic & biomolecular chemistry","2016","14","9","2665","2670","10.1039/c5ob02477c","","","0.71073","MoKα","","0.07","0.0525","","","0.1449","0.1582","","","","","","1.04","","","","has coordinates","177930","2020-10-21","18:00:00",""
"7154933","8.515","0.0005","9.7941","0.0006","17.2071","0.001","76.58","0.003","76.491","0.003","75.658","0.004","1328.51","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Bodipy","","","- C23 H29 B Cl2 F2 I N3 -","- C23 H29 B Cl2 F2 I N3 -","- C46 H58 B2 Cl4 F4 I2 N6 -","2","1","","Aydın Tekdaş, Duygu; Viswanathan, Geetha; Zehra Topal, Sevinc; Looi, Chung Yeng; Wong, Won Fen; Min Yi Tan, Grace; Zorlu, Yunus; Gürek, Ayşe Gül; Lee, Hong Boon; Dumoulin, Fabienne","Antimicrobial activity of a quaternized BODIPY against Staphylococcus strains.","Organic & biomolecular chemistry","2016","14","9","2665","2670","10.1039/c5ob02477c","","","0.71073","MoKα","","0.1216","0.0852","","","0.21","0.2288","","","","","","1.091","","","","has coordinates","177930","2020-10-21","18:00:00",""
"7154934","6.8808","0.0005","8.3233","0.0006","30.274","0.002","90","","95.36","0.003","90","","1726.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bodipy","","","- C19 H18 B F2 N3 O2 -","- C19 H18 B F2 N3 O2 -","- C76 H72 B4 F8 N12 O8 -","4","1","","Aydın Tekdaş, Duygu; Viswanathan, Geetha; Zehra Topal, Sevinc; Looi, Chung Yeng; Wong, Won Fen; Min Yi Tan, Grace; Zorlu, Yunus; Gürek, Ayşe Gül; Lee, Hong Boon; Dumoulin, Fabienne","Antimicrobial activity of a quaternized BODIPY against Staphylococcus strains.","Organic & biomolecular chemistry","2016","14","9","2665","2670","10.1039/c5ob02477c","","","0.71073","MoKα","","0.0434","0.0405","","","0.1008","0.1023","","","","","","1.133","","","","has coordinates","177930","2020-10-21","18:00:00",""
"7154935","10.721","0.0007","20.3638","0.001","12.6324","0.0009","90","","112.71","0.008","90","","2544.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl2 F12 N6 P2 Rh2 -","- C42 H56 Cl2 F12 N6 P2 Rh2 -","- C84 H112 Cl4 F24 N12 P4 Rh4 -","2","0.5","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0642","0.0444","","","0.1067","0.1223","","","","","","1.043","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154936","7.7291","0.0004","15.0891","0.0006","21.358","0.001","90","","90","","90","","2490.9","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl F6 N4 P Rh -","- C20 H27 Cl F6 N4 P Rh -","- C80 H108 Cl4 F24 N16 P4 Rh4 -","4","1","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0448","0.0392","","","0.0965","0.1004","","","","","","1.05","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154937","14.8991","0.0004","15.3359","0.0005","22.4136","0.0009","90","","90","","90","","5121.3","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Cl F6 N4 P Rh -","- C21 H29 Cl F6 N4 P Rh -","- C168 H232 Cl8 F48 N32 P8 Rh8 -","8","1","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0653","0.0477","","","0.118","0.1374","","","","","","1.051","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154938","5.6624","0.0004","13.0517","0.0009","15.2377","0.0008","90","","100.888","0.004","90","","1105.85","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Bichovski, Plamen; Haas, Thomas M.; Keller, Manfred; Streuff, Jan","Direct conjugate alkylation of α,β-unsaturated carbonyls by Ti(III)-catalysed reductive umpolung of simple activated alkenes.","Organic & biomolecular chemistry","2016","14","24","5673","5682","10.1039/c5ob02631h","","","0.71073","MoKα","","0.0572","0.0402","","","0.0892","0.0952","","","","","","1.051","","","","has coordinates","183766","2020-10-21","18:00:00",""
"7154939","9.4307","0.0006","17.1837","0.0005","11.8533","0.0006","90","","91.937","0.002","90","","1919.78","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C100 H88 N8 O4 -","4","1","","Bichovski, Plamen; Haas, Thomas M.; Keller, Manfred; Streuff, Jan","Direct conjugate alkylation of α,β-unsaturated carbonyls by Ti(III)-catalysed reductive umpolung of simple activated alkenes.","Organic & biomolecular chemistry","2016","14","24","5673","5682","10.1039/c5ob02631h","","","0.71073","MoKα","","0.1028","0.0454","","","0.0929","0.116","","","","","","0.963","","","","has coordinates","183766","2020-10-21","18:00:00",""
"7154940","10.698","0.0016","12.2896","0.0019","12.851","0.002","86.525","0.003","83.202","0.003","87.556","0.003","1673.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H43 Cl2 N3 Pd -","- C36 H43 Cl2 N3 Pd -","- C72 H86 Cl4 N6 Pd2 -","2","1","","Liu, Feng; Zhu, Yi-Ran; Song, Lu-Gan; Lu, Jian-Mei","Synthesis of N-heterocyclic carbene-PdCl2-(iso)quinoline complexes and their application in arylamination at low catalyst loadings.","Organic & biomolecular chemistry","2016","14","8","2563","2571","10.1039/c6ob00013d","","","0.71073","MoKα","","0.0413","0.0326","","","0.1085","0.13","","","","","","1.069","","","","has coordinates","177921","2020-10-21","18:00:00",""
"7154941","10.9476","0.0007","11.5394","0.0007","12.4589","0.0008","90.289","0.006","110.381","0.008","105.805","0.007","1410.87","0.18","193","2","193","2","","","","","","","","3","P 1","P 1","1","","","","- C35 H30 O11 -","- C35 H30 O11 -","- C70 H60 O22 -","2","2","","Zang, Yi; Genta-Jouve, Grégory; Retailleau, Pascal; Escargueil, Alexandre; Mann, Stéphane; Nay, Bastien; Prado, Soizic","Talaroketals A and B, unusual bis(oxaphenalenone) spiro and fused ketals from the soil fungus Talaromyces stipitatus ATCC 10500.","Organic & biomolecular chemistry","2016","14","9","2691","2697","10.1039/c5ob02657a","","","1.54187","CuKα","","0.1084","0.0813","","","0.2031","0.2384","","","","","","1.031","","","","has coordinates","177927","2020-10-21","18:00:00",""
"7154942","5.348","0.0011","12.242","0.002","17.786","0.004","90","","93.89","0.03","90","","1161.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Chang, Wenju; Li, Jingfu; Ren, Wenlong; Shi, Yian","Pd-Catalyzed regioselective hydroesterification of 2-allylphenols to seven-membered lactones without external CO gas.","Organic & biomolecular chemistry","2016","14","11","3047","3052","10.1039/c5ob02663f","","","0.71073","MoKα","","0.1251","0.068","","","0.1693","0.2067","","","","","","1.002","","","","has coordinates","181795","2020-10-21","18:00:00",""
"7154943","7.363","0.0015","17.941","0.004","8.568","0.0017","90","","91.5","0.03","90","","1131.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Chang, Wenju; Li, Jingfu; Ren, Wenlong; Shi, Yian","Pd-Catalyzed regioselective hydroesterification of 2-allylphenols to seven-membered lactones without external CO gas.","Organic & biomolecular chemistry","2016","14","11","3047","3052","10.1039/c5ob02663f","","","0.71073","MoKα","","0.1981","0.0771","","","0.1257","0.1561","","","","","","1.002","","","","has coordinates","181795","2020-10-21","18:00:00",""
"7154944","11.137","0.003","20.633","0.005","8.734","0.002","90","","90","","90","","2007","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Sarkar, Rajib; Mukhopadhyay, Chhanda","Cross-dehydrogenative regioselective Csp(3)-Csp(2) coupling of enamino-ketones followed by rearrangement: an amazing formation route to acridine-1,8-dione derivatives.","Organic & biomolecular chemistry","2016","14","9","2706","2715","10.1039/c5ob02655e","","","0.71073","MoKα","","0.0853","0.0558","","","0.1346","0.152","","","","","","1.01","","","","has coordinates","177928","2020-10-21","18:00:00",""
"7154945","7.1242","0.0017","16.492","0.004","15.175","0.004","90","","92.53","0.003","90","","1781.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl N O2 -","- C21 H22 Cl N O2 -","- C84 H88 Cl4 N4 O8 -","4","1","","Sarkar, Rajib; Mukhopadhyay, Chhanda","Cross-dehydrogenative regioselective Csp(3)-Csp(2) coupling of enamino-ketones followed by rearrangement: an amazing formation route to acridine-1,8-dione derivatives.","Organic & biomolecular chemistry","2016","14","9","2706","2715","10.1039/c5ob02655e","","","0.71073","MoKα","","0.0557","0.0414","","","0.1006","0.1116","","","","","","0.95","","","","has coordinates","177928","2020-10-21","18:00:00",""
"7154946","12.5755","0.0007","16.641","0.001","17.7068","0.001","90","","90","","90","","3705.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H49 N3 O4 -","- C43 H49 N3 O4 -","- C172 H196 N12 O16 -","4","1","","Khanvilkar, Aditya N.; Bedekar, Ashutosh V.","Synthesis and characterization of chiral aza-macrocycles and study of their enantiomer recognition ability for organo-phosphoric acid and phosphonic acid derivatives by (31)P NMR and fluorescence spectroscopy.","Organic & biomolecular chemistry","2016","14","9","2742","2748","10.1039/c5ob02616d","","","0.71073","MoKα","","0.0884","0.0516","","","0.0835","0.0956","","","","","","0.928","","","","has coordinates","177933","2020-10-21","18:00:00",""
"7154947","12.8516","0.0002","13.959","0.0003","21.1978","0.0004","90","","90","","90","","3802.79","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H49 N3 O4 -","- C43 H49 N3 O4 -","- C172 H196 N12 O16 -","4","1","","Khanvilkar, Aditya N.; Bedekar, Ashutosh V.","Synthesis and characterization of chiral aza-macrocycles and study of their enantiomer recognition ability for organo-phosphoric acid and phosphonic acid derivatives by (31)P NMR and fluorescence spectroscopy.","Organic & biomolecular chemistry","2016","14","9","2742","2748","10.1039/c5ob02616d","","","1.54184","CuKα","","0.0512","0.0458","","","0.1161","0.1215","","","","","","1.0492","","","","has coordinates","177933","2020-10-21","18:00:00",""
"7154948","7.6727","0.0002","8.5813","0.0003","14.3778","0.0006","82.996","0.001","79.762","0.001","67.718","0.002","860.48","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C38 H34 N2 O8 S2 -","2","1","","Ulbrich, Dirk; Daniliuc, Constantin G.; Haufe, Günter","Synthesis of α,ω-polyfluorinated α-amino acid derivatives and δ,δ-difluoronorvaline.","Organic & biomolecular chemistry","2016","14","9","2755","2767","10.1039/c6ob00131a","","","0.71073","MoKα","","0.0588","0.0491","","","0.1013","0.1078","","","","","","1.066","","","","has coordinates","177932","2020-10-21","18:00:00",""
"7154949","13.663","0.0001","7.8244","0.0001","13.7079","0.0001","90","","109.783","0.001","90","","1378.95","0.02","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F3 N O4 -","- C14 H12 F3 N O4 -","- C56 H48 F12 N4 O16 -","4","1","","Ulbrich, Dirk; Daniliuc, Constantin G.; Haufe, Günter","Synthesis of α,ω-polyfluorinated α-amino acid derivatives and δ,δ-difluoronorvaline.","Organic & biomolecular chemistry","2016","14","9","2755","2767","10.1039/c6ob00131a","","","1.54178","CuKα","","0.0519","0.049","","","0.1358","0.1391","","","","","","1.034","","","","has coordinates","177932","2020-10-21","18:00:00",""
"7154950","5.4884","0.0005","11.4294","0.0009","19.5736","0.0016","90","","90","","90","","1227.83","0.18","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0456","0.0391","","","0.0871","0.0906","","","","","","1.007","","","","has coordinates","177926","2020-10-21","18:00:00",""
"7154951","7.292","0.002","11.75","0.003","14.698","0.004","90","","90","","90","","1259.3","0.6","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0795","0.0608","","","0.1452","0.1569","","","","","","0.982","","","","has coordinates","177926","2020-10-21","18:00:00",""
"7154952","8.108","0.003","11.284","0.004","24.513","0.008","90","","90","","90","","2242.7","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 S -","- C12 H12 O3 S -","- C96 H96 O24 S8 -","8","2","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0887","0.0493","","","0.1029","0.1196","","","","","","1.034","","","","has coordinates","177926","2020-10-21","18:00:00",""
"7154953","13.1233","0.0004","14.4337","0.0006","14.5971","0.0005","114.179","0.004","93.853","0.003","114.821","0.004","2191.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H37 F6 N9 O8 S4 Zn -","- C37 H37 F6 N9 O8 S4 Zn -","- C74 H74 F12 N18 O16 S8 Zn2 -","2","1","","Tang, Juan; Xie, Da; Yin, Hao-Yan; Jing, Jing; Zhang, Jun-Long","Cationic sulfonium functionalization renders Znsalens with high fluorescence, good water solubility and tunable cell-permeability.","Organic & biomolecular chemistry","2016","14","13","3360","3368","10.1039/c6ob00249h","","","1.54184","CuKα","","0.0658","0.0613","","","0.1583","0.1629","","","","","","1.034","","","","has coordinates,has disorder","181778","2020-10-21","18:00:00",""
"7154954","12.586","0.006","13.271","0.007","13.663","0.006","115.299","0.007","95.881","0.004","111.985","0.002","1817","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Perenosin","","","- C16 H17 Cl4 N3 -","- C16 H17 Cl4 N3 -","- C64 H68 Cl16 N12 -","4","2","","Van Rossom, Wim; Asby, Daniel J.; Tavassoli, Ali; Gale, Philip A.","Perenosins: a new class of anion transporter with anti-cancer activity.","Organic & biomolecular chemistry","2016","14","9","2645","2650","10.1039/c6ob00002a","","x-ray","0.71073","MoKα","","0.1176","0.0794","","","0.1633","0.1864","","","","","","1.093","","","","has coordinates","177929","2020-10-21","18:00:00",""
"7154955","5.7205","0.0015","7.824","0.002","9.811","0.003","72.891","0.004","85.142","0.004","74.695","0.004","404.78","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C16 H14 N6 O4 -","2","1","","Patel, Shyam Sunder; Chandna, Nisha; Kumar, Shreemoyee; Jain, Nidhi","I2 mediated synthesis of 5-substituted-3-methyl/benzyl-1,3,4-oxadiazol-2(3H)-ones via sequential condensation/oxidative cyclization and rearrangement.","Organic & biomolecular chemistry","2016","14","24","5683","5689","10.1039/c5ob02667a","","","0.71073","MoKα","","0.0745","0.0567","","","0.1481","0.1581","","","","","","1.048","","","","has coordinates","183768","2020-10-21","18:00:00",""
"7154956","14.9522","0.0006","14.9522","0.0006","39.844","0.003","90","","90","","90","","8907.9","0.8","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C432 H368 N48 O48 -","16","1","","Feng, Bin-Bin; Lu, Lian; Li, Chao; Wang, Xiang-Shan","Iodine-catalyzed synthesis of dibenzo[b,h][1,6]naphthyridine-11-carboxamides via a domino reaction involving double elimination of hydrogen bromide.","Organic & biomolecular chemistry","2016","14","9","2774","2779","10.1039/c5ob02620b","","","0.71073","MoKα","","0.0577","0.0404","","","0.1191","0.1438","","","","","","1.089","","","","has coordinates","177925","2020-10-21","18:00:00",""
"7154957","31.53","0.03","4.779","0.005","12.837","0.011","90","","100.97","0.04","90","","1899","3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","JF95","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Ferreira, Juliana; Duarte, Vera C. M.; Noro, Jennifer; Gil Fortes, António; Alves, Maria J.","Total facial selectivity of a d-erythrosyl aromatic imine in [4π + 2π] cycloadditions; synthesis of 2-alkylpolyol 1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2016","14","10","2930","2937","10.1039/c5ob02594j","","x-ray","0.71073","MoKα","","0.1306","0.0801","","","0.1848","0.2182","","","","","","1.024","","","","has coordinates","177909","2020-10-21","18:00:00",""
"7154958","11.3159","0.0016","11.3266","0.0014","12.5248","0.0016","94.687","0.004","112.587","0.004","117.05","0.004","1254.2","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N2 O2 S -","- C28 H32 N2 O2 S -","- C56 H64 N4 O4 S2 -","2","1","","Yang, Li-Fang; Liu, Cheng-Guo; Xu, Xiao-Ping; Ji, Shun-Jun","Sulfuration of the C(sp(2))-H bond of enaminones: a protocol for the synthesis of thioether using elemental sulfur as a sulfurating reagent.","Organic & biomolecular chemistry","2016","14","10","2993","2999","10.1039/c5ob02619a","","","0.71073","Mokα","","0.0998","0.0932","","","0.2845","0.2879","","","","","","1.115","","","","has coordinates","177907","2020-10-21","18:00:00",""
"7154959","7.7056","0.0004","10.9002","0.0004","11.0359","0.0004","65.488","0.003","72.568","0.003","72.725","0.003","788.58","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-(3,4,5-trimethoxyphenyl)-2-(3,5-dimethylpyrazol-4-yl)ethanol","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C32 H42 N2 O10 -","2","1","","Chagarovskiy, Alexey O.; Budynina, Ekaterina M.; Ivanova, Olga A.; Rybakov, Victor B.; Trushkov, Igor V.; Melnikov, Mikhail Ya","Simple assembly of polysubstituted pyrazoles and isoxazoles via ring closure-ring opening domino reaction of 3-acyl-4,5-dihydrofurans with hydrazines and hydroxylamine.","Organic & biomolecular chemistry","2016","14","10","2905","2915","10.1039/c5ob02596f","","","1.54186","CuKα","","0.0589","0.0526","","","0.1207","0.1249","","","","","","0.96","","","","has coordinates","177911","2020-10-21","18:00:00",""
"7154960","14.7796","0.0008","31.6279","0.0017","11.1541","0.0005","90","","91.878","0.003","90","","5211.2","0.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.95 H54.95 Cl5.85 Cu N6 -","- C56 H54 Cl3 Cu N6 -","- C224 H216 Cl12 Cu4 N24 -","4","1","","Berionni Berna, Beatrice; Nardis, Sara; Mandoj, Federica; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","Extending the corrole ring conjugation: preparation of β,β'-fused 2,3-[1',2'-b]pyrazinocorroles.","Organic & biomolecular chemistry","2016","14","10","2891","2897","10.1039/c5ob02572a","","","1.54184","CuKα","","0.1215","0.0948","","","0.2453","0.2624","","","","","","1.025","","","","has coordinates,has disorder","177912","2020-10-21","18:00:00",""
"7154961","21.9885","0.0017","23.74","0.002","23.7797","0.0018","105.241","0.005","95.294","0.005","106.089","0.005","11323.5","1.6","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C61.5 H59.5 Cl1.5 Cu N8 -","- C61.5 H59.5 Cl1.5 Cu N8 -","- C492 H476 Cl12 Cu8 N64 -","8","4","","Berionni Berna, Beatrice; Nardis, Sara; Mandoj, Federica; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","Extending the corrole ring conjugation: preparation of β,β'-fused 2,3-[1',2'-b]pyrazinocorroles.","Organic & biomolecular chemistry","2016","14","10","2891","2897","10.1039/c5ob02572a","","","1.54184","CuKα","","0.1604","0.1213","","","0.3105","0.3412","","","","","","1.016","","","","has coordinates,has disorder","177912","2020-10-21","18:00:00",""
"7154962","12.7135","0.0005","15.8594","0.0006","15.8605","0.0006","115.779","0.002","95.558","0.002","104.159","0.002","2715.49","0.19","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C65.39 H59.56 Cl3 Cu N6 O1.39 -","- C64 H54 Cl3 Cu N6 -","- C128 H108 Cl6 Cu2 N12 -","2","1","","Berionni Berna, Beatrice; Nardis, Sara; Mandoj, Federica; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","Extending the corrole ring conjugation: preparation of β,β'-fused 2,3-[1',2'-b]pyrazinocorroles.","Organic & biomolecular chemistry","2016","14","10","2891","2897","10.1039/c5ob02572a","","","0.71073","MoKα","","0.0823","0.0577","","","0.157","0.1682","","","","","","1.083","","","","has coordinates,has disorder","177912","2020-10-21","18:00:00",""
"7154963","15.37545","0.00018","14.15367","0.00014","19.476","0.0002","90","","91.4952","0.001","90","","4236.91","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H26 Br4 Cl8 N2 Sb -","- C37 H26 Br4 Cl8 N2 Sb -","- C148 H104 Br16 Cl32 N8 Sb4 -","4","1","","Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra","A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.","Organic & biomolecular chemistry","2016","14","10","2961","2968","10.1039/c6ob00140h","","x-ray","1.54184","CuKα","","0.031","0.0266","","","0.0628","0.0659","","","","","","1.023","","","","has coordinates","177913","2020-10-21","18:00:00",""
"7154964","10.1188","0.0002","13.8839","0.0003","16.4081","0.0005","107.983","0.002","106.75","0.002","96.924","0.002","2043.2","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H22 Br6 N2 -","- C36 H22 Br6 N2 -","- C72 H44 Br12 N4 -","2","1","","Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra","A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.","Organic & biomolecular chemistry","2016","14","10","2961","2968","10.1039/c6ob00140h","","x-ray","1.54184","CuKα","","0.0371","0.0334","","","0.0931","0.0955","","","","","","1.052","","","","has coordinates","177913","2020-10-21","18:00:00",""
"7154965","15.3203","0.0002","15.5925","0.0002","19.8315","0.0003","87.2838","0.0012","81.2554","0.0013","82.7604","0.0012","4643.06","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H24 Br4 N2 -","- C36 H24 Br4 N2 -","- C216 H144 Br24 N12 -","6","3","","Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra","A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.","Organic & biomolecular chemistry","2016","14","10","2961","2968","10.1039/c6ob00140h","","x-ray","1.54184","CuKα","","0.0425","0.0369","","","0.0957","0.1009","","","","","","1.014","","","","has coordinates","177913","2020-10-21","18:00:00",""
"7154966","19.3483","0.0006","19.3483","0.0006","6.2252","0.0003","90","","90","","120","","2018.22","0.13","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C35 H23 N -","- C35.04 H23.04 N0.96 -","- C105.12 H69.12 N2.88 -","3","0.166667","","Van Raden, J. M.; Darzi, E. R.; Zakharov, L. N.; Jasti, R.","Synthesis and characterization of a highly strained donor-acceptor nanohoop.","Organic & biomolecular chemistry","2016","14","24","5721","5727","10.1039/c6ob00133e","","","1.54178","CuKα","","0.0562","0.0422","","","0.0967","0.1013","","","","","","1.075","","","","has coordinates","183765","2020-10-21","18:00:00",""
"7154967","8.1218","0.0009","11.2172","0.0012","11.2671","0.0012","79.387","0.001","79.478","0.001","84.213","0.001","989.55","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 F12 N4 O6 P2 -","- C34 H48 F12 N4 O6 P2 -","- C34 H48 F12 N4 O6 P2 -","1","0.5","","Olson, M. A.; Messina, M. S.; Thompson, J. R.; Dawson, T. J.; Goldner, A. N.; Gaspar, D. K.; Vazquez, M.; Lehrman, J. A.; Sue, A. C.-H.","Reversible morphological changes of assembled supramolecular amphiphiles triggered by pH-modulated host-guest interactions.","Organic & biomolecular chemistry","2016","14","24","5714","5720","10.1039/c6ob00109b","","","0.71073","MoKα","","0.0618","0.0547","","","0.1418","0.1489","","","","","","1.028","","","","has coordinates,has disorder","183764","2020-10-21","18:00:00",""
"7154968","9.7463","0.0005","11.9704","0.0005","24.3772","0.0013","90","","90","","90","","2844","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 F N2 O5 -","- C29 H35 F N2 O5 -","- C116 H140 F4 N8 O20 -","4","1","","Marques, A.-S.; Giardinetti, M.; Marrot, J.; Coeffard, V.; Moreau, X.; Greck, C.","Construction of enantioenriched polysubstituted hexahydropyridazines via a sequential multicatalytic process merging palladium catalysis and aminocatalysis.","Organic & biomolecular chemistry","2016","14","10","2828","2832","10.1039/c5ob02437d","","","0.71073","MoKα","","0.0534","0.041","","","0.1127","0.1272","","","","","","1.162","","","","has coordinates","177908","2020-10-21","18:00:00",""
"7154969","9.0241","0.0004","9.7102","0.0004","12.2998","0.0005","84.499","0.002","84.789","0.002","74.1251","0.0016","1029.55","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Iminoquinone","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C52 H36 N4 O6 -","2","1","","Chandrasekar, Selvaraj; Sekar, Govidasamy","An efficient synthesis of iminoquinones by a chemoselective domino ortho-hydroxylation/oxidation/imidation sequence of 2-aminoaryl ketones.","Organic & biomolecular chemistry","2016","14","11","3053","3060","10.1039/c5ob02659h","","","0.71073","MoKα","","0.0807","0.0434","","","0.1015","0.1219","","","","","","1.015","","","","has coordinates","181794","2020-10-21","18:00:00",""
"7154970","7.9893","0.0003","8.2086","0.0003","11.504","0.0004","106.669","0.0018","104.715","0.0017","96.4618","0.0019","684.9","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","","Chandrasekar, Selvaraj; Sekar, Govidasamy","An efficient synthesis of iminoquinones by a chemoselective domino ortho-hydroxylation/oxidation/imidation sequence of 2-aminoaryl ketones.","Organic & biomolecular chemistry","2016","14","11","3053","3060","10.1039/c5ob02659h","","","0.71073","MoKα","","0.0487","0.0384","","","0.0956","0.1038","","","","","","1.028","","","","has coordinates","181794","2020-10-21","18:00:00",""
"7154971","8.0468","0.0007","12.1197","0.001","7.5388","0.0007","90","","91.03","","90","","735.1","0.11","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H10 Br2 N2 O -","- C16 H10 Br2 N2 O -","- C32 H20 Br4 N4 O2 -","2","1","","Xu, Jun; Zhu, Xiaolei; Zhou, Guobin; Ying, Beibei; Ye, Pingping; Su, Lingying; Shen, Chao; Zhang, Pengfei","Copper(ii)-catalyzed C5 and C7 halogenation of quinolines using sodium halides under mild conditions.","Organic & biomolecular chemistry","2016","14","11","3016","3021","10.1039/c6ob00169f","","","0.71073","MoKα","","0.0607","0.0595","","","0.1538","0.1553","","","","","","1.022","","","","has coordinates,has disorder","181792","2020-10-21","18:00:00",""
"7154972","28.1542","0.0016","8.5012","0.0005","17.4613","0.001","90","","122.609","0.001","90","","3520.5","0.4","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C184 H176 O16 -","8","1","","Subba Reddy, B. V.; Hanuman Reddy, V.; Medaboina, Durgaprasad; Sridhar, B.; Rami Reddy, Y. V.","A tandem Prins spirocyclization for the stereoselective synthesis of tetrahydrospiro[chroman-2,4'-pyran] derivatives.","Organic & biomolecular chemistry","2016","14","12","3234","3237","10.1039/c5ob02639c","","","0.71073","MoKα","","0.0577","0.0471","","","0.1251","0.1348","","","","","","1.04","","","","has coordinates","181783","2020-10-21","18:00:00",""
"7154973","8.3369","0.0004","20.8048","0.001","8.5721","0.0004","90","","112.222","0.003","90","","1376.38","0.12","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H30 Br2 N2 O5 Pd S -","- C27 H30 Br2 N2 O5 Pd S -","- C54 H60 Br4 N4 O10 Pd2 S2 -","2","1","","Yasomanee, Jagodige P.; Parameswar, Archana R.; Pornsuriyasak, Papapida; Rath, Nigam P.; Demchenko, Alexei V.","2,3-Di-O-picolinyl building blocks as glycosyl donors with switchable stereoselectivity.","Organic & biomolecular chemistry","2016","14","11","3159","3169","10.1039/c6ob00107f","","","0.71073","MoKα","","0.0308","0.0262","","","0.0574","0.0592","","","","","","1.025","","","","has coordinates,has disorder","181790","2020-10-21","18:00:00",""
"7154974","18.5248","0.0015","15.2275","0.0012","18.9615","0.0016","90","","94.102","0.004","90","","5335.1","0.8","123","","123","","","","","","","","Pascal Schmidt","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 B N O3 -","- C14 H14 B N O3 -","- C224 H224 B16 N16 O48 -","16","2","","Stress, Cedric J.; Schmidt, Pascal J.; Gillingham, Dennis G.","Comparison of boron-assisted oxime and hydrazone formations leads to the discovery of a fluorogenic variant.","Organic & biomolecular chemistry","2016","14","24","5529","5533","10.1039/c6ob00168h","","","1.54178","CuKα","","0.0402","0.0386","","0.0884","0.088","0.0884","","","","","","0.8971","","","","has coordinates","183769","2020-10-21","18:00:00",""
"7154975","9.71","0.003","19.2","0.005","22.065","0.006","90","","97.104","0.004","90","","4082","2","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-2,3-diphenyl-N-tosylbut-2-enamide","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C184 H168 N8 O24 S8 -","8","2","","Hu, Yuanyuan; Zhou, Bingwei; Wang, Congyang","Copper-catalyzed three-component cascade reaction of alkynes, sulfonyl azides and simple aldehydes/ketones.","Organic & biomolecular chemistry","2016","14","11","3022","3026","10.1039/c6ob00146g","","","0.71073","MoKα","","0.1116","0.087","","","0.1337","0.1429","","","","","","1.197","","","","has coordinates","181796","2020-10-21","18:00:00",""
"7154976","9.3077","0.0019","11.58","0.002","11.683","0.002","116.41","0.03","100.5","0.03","90.85","0.03","1102.3","0.5","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","(E)-2-(naphthalen-2-yl)-N-tosylhept-2-enamide","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C48 H50 N2 O6 S2 -","2","1","","Hu, Yuanyuan; Zhou, Bingwei; Wang, Congyang","Copper-catalyzed three-component cascade reaction of alkynes, sulfonyl azides and simple aldehydes/ketones.","Organic & biomolecular chemistry","2016","14","11","3022","3026","10.1039/c6ob00146g","","","0.71073","MoKα","","0.0809","0.0627","","","0.1408","0.152","","","","","","1.129","","","","has coordinates","181796","2020-10-21","18:00:00",""
"7154977","9.5857","0.0004","10.48","0.0005","16.9107","0.0008","90","","100.401","0.0012","90","","1670.9","0.13","100","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2R,3R)-dimethyl 2-cyano-3-phenyl-2-(pyridin-4-yl)cyclopropane-1,1-dicarboxylate","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Del Fiandra, Claudia; Moccia, Maria; Adamo, Mauro F. A.","Enantioselective cyclopropanation of (Z)-3-substituted-2-(4-pyridyl)-acrylonitriles catalyzed by Cinchona ammonium salts.","Organic & biomolecular chemistry","2016","14","11","3105","3111","10.1039/c6ob00154h","","","0.71073","MoKα","","0.0365","0.0327","","","0.092","0.0961","","","","","","1.051","","","","has coordinates","181791","2020-10-21","18:00:00",""
"7154978","14.19","0.03","16.5","0.03","7.736","0.015","90","","101.18","0.03","90","","1777","6","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(2-hydroxy-2-phenylcyclohexyloxy)isoindoline-1,3-dione","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Bag, Raghunath; Sar, Dinabandhu; Punniyamurthy, Tharmalingam","Iron(iii)-catalyzed aerobic dioxygenation of styrenes using N-hydroxyphthalimide and N-hydroxybenzotriazole.","Organic & biomolecular chemistry","2016","14","12","3246","3255","10.1039/c6ob00210b","","","0.71073","MoKα","","0.0642","0.0449","","","0.1044","0.1269","","","","","","1.045","","","","has coordinates","181787","2020-10-21","18:00:00",""
"7154979","9.0807","0.0003","9.0807","0.0003","33.7042","0.0011","90","","90","","120","","2406.87","0.14","100","2","100","2","","","","","","","","4","P 61","P 61","169","","3 R ,4 R )-Methyl 1-oxo-3-phenyl-3-(trifluoromethyl)isochrom an-4-carboxylate","","- C18 H13 F3 O4 -","- C18 H13 F3 O4 -","- C108 H78 F18 O24 -","6","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.0228","0.0228","","","0.0674","0.0674","","","","","","1.463","","","","has coordinates","181789","2020-10-21","18:00:00",""
"7154980","8.5357","0.0003","12.3308","0.0004","14.9954","0.0005","90","","90","","90","","1578.3","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3 S ,4 R )-3-(Ethoxycarbonyl)-1-oxo-3-(thiophen-2-yl)isochro mane-4-carboxylic acid","","- C17 H14 O6 S -","- C17 H14 O6 S -","- C68 H56 O24 S4 -","4","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.056","0.055","","","0.1582","0.1591","","","","","","1.12","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7154981","8.2334","0.0004","12.873","0.0006","11.1784","0.0005","90","","107.114","0.002","90","","1132.32","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2 R ,3 S )-Methyl 1'-benzyl-3-(4-nitrophenyl)-2',5-dioxo-4,5 -dihydro-3H-spiro[furan-2,3'- indoline]-3-carboxylate","","- C26 H20 N2 O7 -","- C26 H20 N2 O7 -","- C52 H40 N4 O14 -","2","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.0544","0.0376","","","0.0644","0.0653","","","","","","1.899","","","","has coordinates","181789","2020-10-21","18:00:00",""
"7154982","11.1283","0.0003","29.5193","0.0007","7.79325","0.00019","90","","108.307","0.0017","90","","2430.51","0.11","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rocaglamide 23c","","- C25 H21 Br O8 S -","- C25 H21 Br O8 S -","- C100 H84 Br4 O32 S4 -","4","1","","Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami","Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.","Organic & biomolecular chemistry","2016","14","11","3061","3068","10.1039/c5ob02537k","","","1.54187","CuKα","","","0.121","","","","0.3993","","","","","","1.014","","","","has coordinates","181793","2020-10-21","18:00:00",""
"7154983","9.8131","0.0003","20.4457","0.0005","21.4","0.0006","90","","90","","90","","4293.6","0.2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","rocaglamide 22a","","- C25 H24 O7 S -","- C25 H24 O7 S -","- C200 H192 O56 S8 -","8","1","","Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami","Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.","Organic & biomolecular chemistry","2016","14","11","3061","3068","10.1039/c5ob02537k","","","1.54178","CuKα","","0.0404","0.0374","","","0.0999","0.103","","","","","","1.035","","","","has coordinates","181793","2020-10-21","18:00:00",""
"7154984","9.7833","0.0003","10.5843","0.0004","14.6153","0.0005","74.063","0.002","80.51","0.002","63.2837","0.0018","1298.37","0.08","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Br Cl3 O8 -","- C25 H22 Br Cl3 O8 -","- C50 H44 Br2 Cl6 O16 -","2","1","","Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami","Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.","Organic & biomolecular chemistry","2016","14","11","3061","3068","10.1039/c5ob02537k","","","1.54187","CuKα","","","0.0547","","","","0.149","","","","","","1.137","","","","has coordinates","181793","2020-10-21","18:00:00",""
"7154985","5.9219","0.0003","7.4968","0.0003","31.318","0.0019","94.271","0.004","91.188","0.004","90.053","0.003","1386.21","0.12","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 B N -","- C19 H16 B N -","- C76 H64 B4 N4 -","4","2","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0917","0.0729","","","0.2349","0.2466","","","","","","1.098","","","","has coordinates","181782","2020-10-21","18:00:00",""
"7154986","7.5827","0.0003","5.8864","0.0003","14.3622","0.0007","90","","93.408","0.004","90","","639.92","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 B N -","- C18 H14 B N -","- C36 H28 B2 N2 -","2","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0355","0.0343","","","0.0941","0.0957","","","","","","1.045","","","","has coordinates,has disorder","181782","2020-10-21","18:00:00",""
"7154987","7.5086","0.0003","5.9024","0.0003","29.5225","0.0017","90","","93.266","0.005","90","","1306.28","0.11","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 B F N -","- C18 H13 B F N -","- C72 H52 B4 F4 N4 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0553","0.0503","","","0.1386","0.1428","","","","","","1.056","","","","has coordinates,has disorder","181782","2020-10-21","18:00:00",""
"7154988","7.54619","0.00013","5.86945","0.00011","32.5219","0.0005","90","","94.2129","0.0015","90","","1436.57","0.04","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B F3 N -","- C19 H13 B F3 N -","- C76 H52 B4 F12 N4 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0428","0.0388","","","0.1053","0.1089","","","","","","1.056","","","","has coordinates,has disorder","181782","2020-10-21","18:00:00",""
"7154989","7.44538","0.00009","7.11221","0.00008","15.95865","0.00019","90","","94.8062","0.0011","90","","842.089","0.017","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 B N -","- C21 H20 B N -","- C42 H40 B2 N2 -","2","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0303","0.0296","","","0.0805","0.0811","","","","","","1.042","","","","has coordinates","181782","2020-10-21","18:00:00",""
"7154990","7.5423","0.0002","5.9013","0.0002","28.5913","0.0009","90","","94.099","0.003","90","","1269.33","0.07","110","2","110","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0653","0.0616","","","0.1499","0.1518","","","","","","1.16","","","","has coordinates,has disorder","181782","2020-10-21","18:00:00",""
"7154991","10.2816","0.0003","10.436","0.0003","15.0467","0.0005","90","","90","","90","","1614.49","0.09","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-((4-Hydroxyphenyl)(thiophen-3-yl)methyl)naphthalen-2-ol","","- C21 H16 O2 S -","- C21 H16 O2 S -","- C84 H64 O8 S4 -","4","1","","Wong, Yuk Fai; Wang, Zhaobin; Sun, Jianwei","Chiral phosphoric acid catalyzed asymmetric addition of naphthols to para-quinone methides.","Organic & biomolecular chemistry","2016","14","24","5751","5754","10.1039/c6ob00125d","","x-ray","1.54184","CuKα","","0.0585","0.057","","","0.1486","0.1503","","","","","","1","","","","has coordinates,has disorder","183758","2020-10-21","18:00:00",""
"7154992","12.2059","0.0008","9.9555","0.0006","16.3557","0.0011","90","","95.472","0.002","90","","1978.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","WYC011632","","- C21 H18 Br F3 O4 -","- C21 H18 Br F3 O4 -","- C84 H72 Br4 F12 O16 -","4","1","","Wong, Ying-Chieh; Yeung, Ying-Yeung","A convenient method for the synthesis of α-carboxylate ester bromolactones via bromolactonization of alkenoic diesters.","Organic & biomolecular chemistry","2016","14","12","3202","3206","10.1039/c6ob00311g","","","0.71073","MoKα","","0.0313","0.0282","","","0.0716","0.0735","","","","","","1.034","","","","has coordinates,has disorder","181784","2020-10-21","18:00:00",""
"7154993","7.5445","0.0007","14.1434","0.0015","14.8389","0.0015","90","","100.417","0.004","90","","1557.3","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","amit","","- C15 H15 I N4 -","- C15 H15 I N4 -","- C60 H60 I4 N16 -","4","1","","Pawar, Amit B.; Lade, Dhanaji M.","Cobalt(iii)-catalyzed C-H halogenation of 6-arylpurines: facile entry into arylated, sulfenylated and alkoxylated 6-arylpurines.","Organic & biomolecular chemistry","2016","14","12","3275","3283","10.1039/c5ob02640g","","x-ray","0.71073","MoKα","","0.0384","0.0354","","","0.0926","0.0943","","","","","","1.065","","","","has coordinates","181785","2020-10-21","18:00:00",""
"7154994","11.7084","0.0004","14.1127","0.0006","15.5928","0.0006","90.096","0.003","95.408","0.003","91.971","0.003","2563.49","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3aS*,5R*,5aR*,8R*,8aR*,8bR*)-5,5a-dihydroxy-2,5-diphenyl-3a,4,5,5a,6,7,8a,8b-octahydro-8-(2',2',2'-trichloromethylcarbonylamino)cyclopent[e]isoindole-1,3(2H,3aH)-dione","","- C26 H27 Cl3 N2 O6 -","- C26 H27 Cl3 N2 O6 -","- C104 H108 Cl12 N8 O24 -","4","2","","Mostafa, Mohamed A. B.; Grafton, Mark W.; Wilson, Claire; Sutherland, Andrew","A one-pot, three-step process for the diastereoselective synthesis of aminobicyclo[4.3.0]nonanes using consecutive palladium(ii)- and ruthenium(ii)-catalysis.","Organic & biomolecular chemistry","2016","14","12","3284","3297","10.1039/c6ob00165c","","x-ray","0.71073","MoKα","","0.0864","0.0539","","","0.1208","0.1355","","","","","","1.013","","","","has coordinates","204136","2020-10-21","18:00:00",""
"7154995","8.2474","0.0005","11.1326","0.0007","18.0136","0.0011","90","","90","","90","","1653.92","0.18","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C72 H68 N4 O20 S4 -","4","1","","Luridiana, Alberto; Frongia, Angelo; Aitken, David J.; Guillot, Regis; Sarais, Giorgia; Secci, Francesco","Deracemizing organocatalyzed Michael addition reactions of 2-(arylthio)cyclobutanones with β-nitrostyrenes.","Organic & biomolecular chemistry","2016","14","13","3394","3403","10.1039/c6ob00160b","","x-ray","0.71073","MoKα","","0.0328","0.029","","","0.0776","0.0797","","","","","","1.075","","","","has coordinates","181781","2020-10-21","18:00:00",""
"7154996","12.3871","0.0001","10.734","0.0001","12.8666","0.0001","90","","103.68","","90","","1662.25","0.02","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","2","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0375","0.0368","","","0.0991","0.1004","","","","","","0.947","","","","has coordinates","181802","2020-10-21","18:00:00",""
"7154997","9.7007","0.0002","6.2228","0.0001","13.9225","0.0003","90","","101.87","0.001","90","","822.47","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0851","0.0836","","","0.2171","0.219","","","","","","1.104","","","","has coordinates","181802","2020-10-21","18:00:00",""
"7154998","11.9342","0.0011","12.3874","0.0011","13.3401","0.0013","106.111","0.005","92.693","0.005","95.261","0.006","1881.3","0.3","130","","130","","","","","","","","","3","P 1","P 1","1","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","4","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0838","0.0662","","","0.177","0.203","","","","","","1.012","","","","has coordinates","181802","2020-10-21","18:00:00",""
"7154999","8.6713","0.0017","9.4094","0.0019","11.261","0.002","104.56","0.03","93.63","0.03","110.49","0.03","821.4","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O3 S2 -","- C16 H15 N O3 S2 -","- C32 H30 N2 O6 S4 -","2","1","","Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang","Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.","Organic & biomolecular chemistry","2016","14","16","3878","3882","10.1039/c6ob00377j","","","0.71073","MoKα","","0.0877","0.066","","","0.1813","0.2005","","","","","","1.073","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7155000","14.818","0.003","10.636","0.002","15.416","0.003","90","","113.84","0.03","90","","2222.3","0.9","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang","Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.","Organic & biomolecular chemistry","2016","14","16","3878","3882","10.1039/c6ob00377j","","","0.71073","MoKα","","0.1252","0.0765","","","0.175","0.2036","","","","","","1.082","","","","has coordinates","182785","2020-10-21","18:00:00",""
"7155001","13.9018","0.0004","17.531","0.0004","9.7328","0.0002","90","","90","","90","","2372","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H25 N O3 S -","- C30 H25 N O3 S -","- C120 H100 N4 O12 S4 -","4","1","","Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang","Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.","Organic & biomolecular chemistry","2016","14","16","3878","3882","10.1039/c6ob00377j","","","1.54184","CuKα","","0.0343","0.0307","","","0.0766","0.0797","","","","","","1.05","","","","has coordinates","182785","2020-10-21","18:00:00",""
"7155002","9.3775","0.0007","11.0241","0.0008","9.5231","0.0006","90","","110.422","0.004","90","","922.61","0.11","","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","pyrido[1,2,a]indole","(4-fluorophenyl)(10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl)methanone","","- C25 H15 F2 N O -","- C25 H15 F2 N O -","- C50 H30 F4 N2 O2 -","2","1","","Dawande, Sudam Ganpat; Lad, Bapurao Sudam; Prajapati, Sunitkumar; Katukojvala, Sreenivas","Rhodium-catalyzed pyridannulation of indoles with diazoenals: a direct approach to pyrido[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5569","5573","10.1039/c6ob00360e","","","0.71073","MoKα","","0.0639","0.0603","","","0.1746","0.1797","","","","","","1.1402","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7155003","10.1488","0.0005","17.0478","0.0004","12.052","0.0004","90","","113.032","0.005","90","","1918.96","0.14","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Bromo-9,10-dimethyl-6,17c-dihydro-5H-indazolo[2,3-a]isoquinolino[1,2-c]quinoxaline","","- C24 H20 Br N3 -","- C24 H20 Br N3 -","- C96 H80 Br4 N12 -","4","1","","Shinde, Anand H.; Vidyacharan, Shinde; Sharada, Duddu S.","BF3·OEt2 mediated metal-free one-pot sequential multiple annulation cascade (SMAC) synthesis of complex and diverse tetrahydroisoquinoline fused hybrid molecules.","Organic & biomolecular chemistry","2016","14","12","3207","3211","10.1039/c6ob00253f","","","1.5418","CuKα","","0.066179","0.05177","","","","0.15219","","","","","","1.04853","","","","has coordinates","181786","2020-10-21","18:00:00",""
"7155004","12.282","0.003","8.937","0.0018","22.179","0.004","90","","92.6","0.03","90","","2432","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N O4 P -","- C28 H26 N O4 P -","- C112 H104 N4 O16 P4 -","4","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.0712","0.0573","","","0.1269","0.1337","","","","","","1.156","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155005","10.479","0.0009","10.8907","0.0009","12.8985","0.0009","68.115","0.007","68.507","0.007","89.099","0.007","1258.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 N O4 P -","- C29 H28 N O4 P -","- C58 H56 N2 O8 P2 -","2","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","1.54184","CuKα","","0.054","0.0463","","","0.1279","0.1358","","","","","","1.045","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155006","17.859","0.0016","5.8124","0.0004","21.742","0.002","90","","106.101","0.01","90","","2168.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.054","0.0409","","","0.1042","0.1139","","","","","","1.044","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155007","17.482","0.004","5.9043","0.0013","23.251","0.005","90","","100.505","0.003","90","","2359.7","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C120 H80 Cl8 N8 O8 -","8","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.0551","0.0479","","","0.1212","0.1272","","","","","","1.068","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155008","9.6939","0.0019","21.405","0.004","27.668","0.006","90","","80.83","0.03","90","","5668","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 Cl N O2 P -","- C35 H25 Cl N O2 P -","- C280 H200 Cl8 N8 O16 P8 -","8","2","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.1643","0.1094","","","0.2299","0.2583","","","","","","1.117","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155009","10.626","0.002","11.358","0.002","21.635","0.004","104.76","0.03","91.46","0.03","90.01","0.03","2524.1","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl N O3 S -","- C30 H22 Cl N O3 S -","- C120 H88 Cl4 N4 O12 S4 -","4","2","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.0877","0.0836","","","0.2468","0.2541","","","","","","1.108","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155010","34.28","0.003","17.6184","0.0013","25.486","0.004","90","","131.387","0.003","90","","11548","2","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 N O6 P S -","- C29 H32 N O6 P S -","- C464 H512 N16 O96 P16 S16 -","16","2","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.1113","0.0616","","","0.1583","0.1801","","","","","","1.058","","","","has coordinates","181801","2020-10-21","18:00:00",""
"7155011","10.1831","0.0002","17.6304","0.0004","18.6382","0.0005","90","","92.2453","0.0011","90","","3343.59","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Benzimidazoindoloindolol","","- C35 H28 Cl3 N3 O5 S2 -","- C35 H28 Cl3 N3 O5 S2 -","- C140 H112 Cl12 N12 O20 S8 -","4","1","","Badigenchala, Sindhura; Rajeshkumar, Venkatachalam; Sekar, Govindasamy","Iodine mediated intramolecular C2-amidative cyclization of indoles: a facile access to indole fused tetracycles.","Organic & biomolecular chemistry","2016","14","7","2297","2305","10.1039/c5ob02449h","","","0.71073","MoKα","","0.0715","0.0495","","","0.133","0.1514","","","","","","1.023","","","","has coordinates","177604","2020-10-21","18:00:00",""
"7155012","4.6985","0.0007","9.6719","0.0014","9.8461","0.0014","111.248","0.002","92.409","0.002","91.899","0.002","416.09","0.1","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C9 H5 Cl N2 O2 -","- C9 H5 Cl N2 O2 -","- C18 H10 Cl2 N4 O4 -","2","1","","Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe","Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation.","Organic & biomolecular chemistry","2016","14","13","3459","3468","10.1039/c6ob00227g","","x-ray","0.71073","MoKα","","0.0387","0.0346","","","0.0888","0.0915","","","","","","1.047","","","","has coordinates","181777","2020-10-21","18:00:00",""
"7155013","6.6155","0.0011","7.022","0.0012","9.6435","0.0017","82.132","0.003","76.879","0.003","71.863","0.003","413.54","0.12","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C9 H5 Cl N2 O2 -","- C9 H5 Cl N2 O2 -","- C18 H10 Cl2 N4 O4 -","2","1","","Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe","Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation.","Organic & biomolecular chemistry","2016","14","13","3459","3468","10.1039/c6ob00227g","","x-ray","0.71073","MoKα","","0.059","0.0488","","","0.1415","0.1483","","","","","","1.07","","","","has coordinates","181777","2020-10-21","18:00:00",""
"7155014","8.1761","0.0005","11.9692","0.0007","15.1398","0.0009","90","","96.343","0.001","90","","1472.53","0.15","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F O4 -","- C18 H13 F O4 -","- C72 H52 F4 O16 -","4","1","","Mangina, N. S. V. M. Rao; Suresh, Surisetti; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold(iii)-catalyzed synthesis of aroylbenzo[b]oxepin-3-ones from ortho-O-propargyl-1-one substituted arylaldehydes.","Organic & biomolecular chemistry","2016","14","14","3526","3535","10.1039/c5ob02676h","","","0.71073","MoKα","","0.06","0.0527","","","0.1496","0.1574","","","","","","1.036","","","","has coordinates","181800","2020-10-21","18:00:00",""
"7155015","10.2113","0.0008","10.8594","0.0009","15.4503","0.0012","90","","102.946","0.001","90","","1669.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Rac-(2R,4R,5R)-tert-butyl 2-(4-chlorophenyl)-4-fluoro-5-hydroxypiperidine-1-carboxylate","","- C16 H21 Cl F N O3 -","- C16 H21 Cl F N O3 -","- C64 H84 Cl4 F4 N4 O12 -","4","1","","Yan, Nan; Fang, Zheng; Liu, Qing-Quan; Guo, Xiao-Hong; Hu, Xiang-Guo","Conformation-induced regioselective and divergent opening of epoxides by fluoride: facile access to hydroxylated fluoro-piperidines.","Organic & biomolecular chemistry","2016","14","13","3469","3475","10.1039/c6ob00063k","","","0.71073","MoKα","","0.0546","0.0437","","","0.1186","0.1307","","","","","","1.039","","","","has coordinates","181779","2020-10-21","18:00:00",""
"7155016","10.0718","0.0018","10.9443","0.0019","15.782","0.003","90","","102.965","0.002","90","","1695.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rac-(2R,4R,5R)-tert-butyl 4-fluoro-5-hydroxy-2-(p-tolyl)piperidine-1-carboxylate","","- C17 H24 F N O3 -","- C17 H24 F N O3 -","- C68 H96 F4 N4 O12 -","4","1","","Yan, Nan; Fang, Zheng; Liu, Qing-Quan; Guo, Xiao-Hong; Hu, Xiang-Guo","Conformation-induced regioselective and divergent opening of epoxides by fluoride: facile access to hydroxylated fluoro-piperidines.","Organic & biomolecular chemistry","2016","14","13","3469","3475","10.1039/c6ob00063k","","","0.71073","MoKα","","0.066","0.0456","","","0.1169","0.1301","","","","","","1.028","","","","has coordinates","181779","2020-10-21","18:00:00",""
"7155017","8.7967","0.0004","9.2428","0.0004","17.2636","0.0008","90","","90","","90","","1403.64","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,Z)-3-(4-fluorophenyl)-2-(hydroxyimino)-3-(trifluoromethyl)-3,5,6,7-tetrahydrobenzofuran-4(2H)-one","","- C15 H11 F4 N O3 -","- C15 H11 F4 N O3 -","- C60 H44 F16 N4 O12 -","4","1","","Liu, Wei; Lai, Xiaoyan; Zha, Gaofeng; Xu, Yan; Sun, Panpan; Xia, Tao; Shen, Yongcun","The squaramide-catalyzed asymmetric Michael/cyclization tandem reaction for the synthesis of chiral trifluoromethylated hydroxyimino tetrahydrobenzofuranones.","Organic & biomolecular chemistry","2016","14","14","3603","3607","10.1039/c6ob00119j","","","1.54178","CuKα","","0.0439","0.037","","","0.0872","0.0924","","","","","","1.075","","","","has coordinates","181798","2020-10-21","18:00:00",""
"7155018","7.4773","0.001","8.2931","0.0011","20.419","0.003","90","","90","","90","","1266.2","0.3","298","2","298","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Compound 10","","- C11 H13 N5 O4 -","- C11 H13 N5 O4 -","- C44 H52 N20 O16 -","4","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","0.71073","MoKα","","0.0409","0.0376","","","0.1079","0.1122","","","","","","1.058","","","","has coordinates","181780","2020-10-21","18:00:00",""
"7155019","5.9412","0.0001","5.9412","0.0001","60.104","0.0009","90","","90","","90","","2121.54","0.06","100","2","100","2","","","","","","","synthesis","5","P 43 21 2","P 4nw 2abw","96","","1R,3S-albucidin","","- C9 H3 D10 N5 O3 -","- C9 H3 D10 N5 O3 -","- C72 H24 D80 N40 O24 -","8","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","1.54178","CuKα","","0.0297","0.0297","","","0.0839","0.0839","","","","","","0.581","","","","has coordinates","181780","2020-10-21","18:00:00",""
"7155020","5.9872","0.0009","5.9872","0.0009","60.571","0.009","90","","90","","90","","2171.3","0.6","296","2","296","2","","","","","","","synthesis","5","P 41 21 2","P 4abw 2nw","92","","1S,3R-albucidin","","- C9 H11 D2 N5 O3 -","- C9 H11 D2 N5 O3 -","- C72 H88 D16 N40 O24 -","8","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","0.71073","MoKα","","0.082","0.0814","","","0.1836","0.1839","","","","","","1.194","","","","has coordinates","181780","2020-10-21","18:00:00",""
"7155021","16.925","0.0003","17.9908","0.0005","10.9836","0.0004","90","","106.315","0.003","90","","3209.77","0.17","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 2,3-dicyano-1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene]-2,3-dicarboxylate","","- C17 H10 N2 O6 -","- C17 H10 N2 O6 -","- C136 H80 N16 O48 -","8","2","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","1.54186","CuKα","","0.0739","0.0568","","","0.1386","0.1465","","","","","","0.911","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155022","25.935","0.004","7.888","0.002","18.793","0.004","90","","108.37","0.03","90","","3648.7","1.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","rubidium 1,1,3,3-tetracyano-2-(2-(isopropoxycarbonyl)benzoyl)prop-2-en-1-ide","","- C36 H22 N8 O6 Rb2 -","- C36 H22 N8 O6 Rb2 -","- C144 H88 N32 O24 Rb8 -","4","1","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","0.71073","MoKα","","0.1279","0.0568","","","0.0779","0.0956","","","","","","0.923","","","","has coordinates","182784","2020-10-21","18:00:00",""
"7155023","14.498","0.005","13.886","0.004","18.696","0.004","90","","90","","90","","3763.9","1.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","potassium (Z)-2,4-dicyano-1,5-dimethoxy-3-(2-(methoxycarbonyl)benzoyl)-1,5-dioxopent-3-en-2-ide","","- C18 H13 K N2 O7 -","- C18 H13 K N2 O7 -","- C144 H104 K8 N16 O56 -","8","1","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","0.71073","MoKα","","0.1007","0.0552","","","0.1152","0.132","","","","","","1.039","","","","has coordinates","182784","2020-10-21","18:00:00",""
"7155024","11.4992","0.0008","13.2277","0.0006","20.0327","0.001","80.075","0.004","80.054","0.005","76.358","0.005","2889","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H48 F6 N11 O5 -","- C69 H48 F6 N11 O5 -","- C138 H96 F12 N22 O10 -","2","1","","Murray, Alexander T.; Challinor, Jonathan D.; Gulácsy, Christina E; Lujan, Cristina; Hatcher, Lauren E.; Pudney, Christopher R.; Raithby, Paul R.; John, Matthew P.; Carbery, David R.","Modelling flavoenzymatic charge transfer events: development of catalytic indole deuteration strategies.","Organic & biomolecular chemistry","2016","14","15","3787","3792","10.1039/c6ob00361c","","","0.71073","MoKα","","0.151","0.0783","","","0.1802","0.2479","","","","","","0.974","","","","has coordinates,has disorder","182778","2020-10-21","18:00:00",""
"7155025","6.6629","0.0007","25.004","0.003","14.956","0.002","90","","97.81","0.012","90","","2468.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cl F3 N5 O3 -","- C28 H23 Cl F3 N5 O3 -","- C112 H92 Cl4 F12 N20 O12 -","4","1","","Murray, Alexander T.; Challinor, Jonathan D.; Gulácsy, Christina E; Lujan, Cristina; Hatcher, Lauren E.; Pudney, Christopher R.; Raithby, Paul R.; John, Matthew P.; Carbery, David R.","Modelling flavoenzymatic charge transfer events: development of catalytic indole deuteration strategies.","Organic & biomolecular chemistry","2016","14","15","3787","3792","10.1039/c6ob00361c","","","0.71073","MoKα","","0.1083","0.0558","","","0.0889","0.0968","","","","","","0.839","","","","has coordinates,has disorder","182778","2020-10-21","18:00:00",""
"7155026","5.0171","0.0014","8.347","0.002","10.439","0.003","101.211","0.005","102.192","0.007","91.033","0.008","418.4","0.2","233","","233","","","","","","","","","6","P 1","P 1","1","","","","- C18 H15 Br F3 N O -","- C18 H15 Br F3 N O -","- C18 H15 Br F3 N O -","1","1","","Ikeda, Kazunori; Futamura, Takashi; Hanakawa, Taisyun; Minakawa, Maki; Kawatsura, Motoi","Palladium-catalyzed enantioselective allylic alkylation of trifluoromethyl group substituted racemic and acyclic unsymmetrical 1,3-disubstituted allylic esters with malonate anions.","Organic & biomolecular chemistry","2016","14","14","3501","3505","10.1039/c6ob00449k","","","0.71075","MoKα","","","0.0242","","","","0.0288","","","","","","0.818","","","","has coordinates","181797","2020-10-21","18:00:00",""
"7155027","8.4009","0.0004","10.4848","0.0004","11.8979","0.0005","94.791","0.001","103.025","0.001","108.548","0.001","954.23","0.07","298","2","298","2","","","","","","","Synthetic","4","P -1","-P 1","2","Formil isoplicamine","Formil isoplicamine","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C42 H44 N4 O10 -","2","1","","Mijangos, Marco V.; Miranda, Luis D.","Multicomponent access to indolo[3,3a-c]isoquinolin-3,6-diones: formal synthesis of (±)-plicamine.","Organic & biomolecular chemistry","2016","14","15","3677","3680","10.1039/c6ob00231e","","","0.71073","MoKα","","0.0609","0.0406","","","0.0955","0.1061","","","","","","1.03","","","","has coordinates","182779","2020-10-21","18:00:00",""
"7155028","18.0189","0.0003","13.8383","0.0003","19.9173","0.0004","90","","93.1629","0.0016","90","","4958.83","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl (1-((1-(4-aminophenyl)ethoxy)(tert-butyl)amino)-2,2-dimethylpropyl)phosphonate","","- C21 H39 N2 O4 P -","- C21 H39 N2 O4 P -","- C168 H312 N16 O32 P8 -","8","2","","Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment.","Organic & biomolecular chemistry","2016","14","14","3574","3583","10.1039/c6ob00384b","","x-ray","1.54184","CuKα","","0.0801","0.0641","","","0.1787","0.1972","","","","","","1.042","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155029","8.62323","0.00015","9.53739","0.00016","31.7545","0.0006","90","","90.2784","0.0017","90","","2611.56","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(1-((tert-butyl(1-(diethoxyphosphoryl)-2,2-dimethylpropyl)amino)oxy)ethyl)benzoate","","- C23 H40 N O6 P -","- C23 H40 N O6 P -","- C92 H160 N4 O24 P4 -","4","1","","Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment.","Organic & biomolecular chemistry","2016","14","14","3574","3583","10.1039/c6ob00384b","","x-ray","1.54184","CuKα","","0.0813","0.0533","","","0.147","0.1558","","","","","","1.14","","","","has coordinates,has disorder","181799","2020-10-21","18:00:00",""
"7155030","9.0712","0.0003","10.2972","0.0003","13.5576","0.0003","75.983","0.002","80.691","0.002","78.803","0.002","1196.5","0.06","293","","293","","","","","","","","","6","P -1","-P 1","2","","Diethyl (1-(tert-butyl(1-(4-fluorophenyl)ethoxy)amino)-2,2-dimethylpropyl)phosphonate","","- C21 H37 F N O4 P -","- C21 H37 F N O4 P -","- C42 H74 F2 N2 O8 P2 -","2","1","","Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment.","Organic & biomolecular chemistry","2016","14","14","3574","3583","10.1039/c6ob00384b","","x-ray","1.54184","CuKα","","0.0586","0.0495","","","0.1482","0.1589","","","","","","1.059","","","","has coordinates","181799","2020-10-21","18:00:00",""
"7155031","8.0511","0.001","13.583","0.016","9.587","0.011","90","","109.73","0.019","90","","986.9","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 N O S -","- C25 H20 N O S -","- C50 H40 N2 O2 S2 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.","Stereoselective synthesis of thiazino[4,3-a]indoles using the thia-Pictet-Spengler reaction of indoles bearing N-tethered thiols and vinylogous thiocarbonates.","Organic & biomolecular chemistry","2016","14","24","5586","5590","10.1039/c6ob00501b","","","0.71075","MoKα","","0.0952","0.0867","","","0.2299","0.2389","","","","","","1.035","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155032","9.7915","0.0007","10.0496","0.0006","33.148","0.002","90","","90","","90","","3261.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 N O3 Rh -","- C31 H32 N O3 Rh -","- C124 H128 N4 O12 Rh4 -","4","1","","Zhao, Yi-Shuang; Liu, Jian-Kang; He, Zhi-Tao; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Two phenyls are better than one or three: synthesis and application of terminal olefin-oxazoline (TOlefOx) ligands.","Organic & biomolecular chemistry","2016","14","15","3686","3689","10.1039/c6ob00460a","","","0.71073","MoKα","","0.0499","0.0419","","","0.0963","0.1004","","","","","","1.021","","","","has coordinates","182780","2020-10-21","18:00:00",""
"7155033","10.8993","0.0007","13.2135","0.0008","21.2588","0.0013","90","","90","","90","","3061.6","0.3","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O3 Rh -","- C37 H36 N O3 Rh -","- C148 H144 N4 O12 Rh4 -","4","1","","Zhao, Yi-Shuang; Liu, Jian-Kang; He, Zhi-Tao; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Two phenyls are better than one or three: synthesis and application of terminal olefin-oxazoline (TOlefOx) ligands.","Organic & biomolecular chemistry","2016","14","15","3686","3689","10.1039/c6ob00460a","","","0.71073","MoKα","","0.0347","0.03","","","0.0607","0.0626","","","","","","1.018","","","","has coordinates","182780","2020-10-21","18:00:00",""
"7155034","15.2591","0.0005","7.75811","0.00018","16.2453","0.0004","90","","105.972","0.003","90","","1848.91","0.09","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N4 -","- C23 H20 N4 -","- C92 H80 N16 -","4","1","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","1.54184","CuKα","","0.0494","0.0432","","","0.1163","0.1237","","","","","","1.03","","","","has coordinates","182781","2020-10-21","18:00:00",""
"7155035","12.4993","0.0004","12.6093","0.0005","13.1403","0.0005","102.843","0.003","90.295","0.003","94.809","0.003","2011.49","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N3 O -","- C26 H19 N3 O -","- C104 H76 N12 O4 -","4","2","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","1.54184","CuKα","","0.0792","0.066","","","0.1803","0.2018","","","","","","1.044","","","","has coordinates","182781","2020-10-21","18:00:00",""
"7155036","11.1295","0.0008","11.4081","0.001","12.1912","0.0009","90","","90","","90","","1547.9","0.2","295","2","295","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","0.71073","MoKα","","0.0578","0.0417","","","0.0987","0.1038","","","","","","1.011","","","","has coordinates","182781","2020-10-21","18:00:00",""
"7155037","10.3826","0.0008","13.1881","0.0011","11.3683","0.0012","90","","105.41","0.01","90","","1500.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C76 H52 N12 O4 -","4","1","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","0.71073","MoKα","","0.1159","0.0641","","","0.1771","0.2021","","","","","","1.056","","","","has coordinates,has disorder","182781","2020-10-21","18:00:00",""
"7155038","16.652","0.002","6.8992","0.0009","18.61","0.003","90","","90","","90","","2138","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H15 N3 O3 -","- C10 H15 N3 O3 -","- C80 H120 N24 O24 -","8","1","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.71073","MoKα","","0.0659","0.0391","","","0.0841","0.0911","","","","","","0.926","","","","has coordinates","182783","2020-10-21","18:00:00",""
"7155039","7.6207","0.0007","12.3266","0.0012","11.1367","0.0011","90","","101.726","0.002","90","","1024.32","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N3 O2 -","- C10 H13 N3 O2 -","- C40 H52 N12 O8 -","4","2","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.71073","MoKα","","0.0407","0.035","","","0.0883","0.0902","","","","","","1.004","","","","has coordinates","182783","2020-10-21","18:00:00",""
"7155040","27.5444","0.0014","4.0773","0.0004","26.9996","0.0014","90","","90","","90","","3032.2","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H16 Br N3 O4 -","- C15 H16 Br N3 O4 -","- C120 H128 Br8 N24 O32 -","8","2","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.6889","synchrotron","","0.0716","0.0638","","","0.152","0.158","","","","","","1.076","","","","has coordinates","182783","2020-10-21","18:00:00",""
"7155041","8.0842","0.0005","12.4461","0.0008","16.7654","0.0009","90","","90","","90","","1686.88","0.18","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Al Br O2 S -","- C15 H16 Al Br O2 S -","- C60 H64 Al4 Br4 O8 S4 -","4","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0599","0.0381","","","0.1043","0.1249","","","","","","0.827","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155042","8.2836","0.0009","10.3728","0.0011","19.708","0.003","90","","91.303","0.012","90","","1693","0.4","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O3 S -","- C18 H22 O3 S -","- C72 H88 O12 S4 -","4","2","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.1001","0.0801","","","0.199","0.2265","","","","","","1.072","","","","has coordinates,has disorder","183753","2020-10-21","18:00:00",""
"7155043","10.664","0.0007","9.233","0.0006","11.347","0.0007","90","","96.158","0.006","90","","1110.79","0.12","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 O3 S -","- C26 H24 O3 S -","- C52 H48 O6 S2 -","2","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0529","0.042","","","0.093","0.1015","","","","","","1.045","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155044","9.1301","0.0004","10.89","0.0006","13.3698","0.0009","90","","90","","90","","1329.32","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Br O2 S -","- C13 H11 Br O2 S -","- C52 H44 Br4 O8 S4 -","4","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0468","0.0334","","","0.0677","0.0737","","","","","","1.028","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155045","13.303","0.0011","10.8154","0.001","10.2401","0.0011","90","","109.676","0.011","90","","1387.3","0.2","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H30 O6 S2 -","- C30 H30 O6 S2 -","- C60 H60 O12 S4 -","2","0.5","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0464","0.0383","","","0.0943","0.1005","","","","","","1.046","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155046","9.8624","0.0006","8.7885","0.0005","10.6755","0.0006","90","","102.966","0.005","90","","901.71","0.09","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(14S,15R)-14-deoxyoxacyclododecindione","","- C18 H23 Cl O6 -","- C18 H23 Cl O6 -","- C36 H46 Cl2 O12 -","2","1","","Tauber, Johannes; Rohr, Markus; Walter, Thorsten; Schollmeyer, Dieter; Rahn-Hotze, Karin; Erkel, Gerhard; Opatz, Till","A surprising switch in absolute configuration of anti-inflammatory macrolactones.","Organic & biomolecular chemistry","2016","14","15","3695","3698","10.1039/c6ob00430j","","","0.71073","MoKα","","0.069","0.0449","","","0.1022","0.126","","","","","","1.092","","","","has coordinates","182782","2020-10-21","18:00:00",""
"7155047","12.332","0.003","12.412","0.003","21.736","0.004","90.58","0.03","95.38","0.03","90","0.03","3312.2","1.3","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H50 N4 O7 -","- C32 H50 N4 O7 -","- C128 H200 N16 O28 -","4","4","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.1339","0.1216","","","0.3687","0.3761","","","","","","1.506","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155048","11.493","0.002","17.104","0.003","18.432","0.004","90","","103.96","0.03","90","","3516.3","1.2","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H52 N4 O9 -","- C32 H52 N4 O9 -","- C128 H208 N16 O36 -","4","2","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.0576","0.0527","","","0.1268","0.1299","","","","","","0.943","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155049","20.9","0.004","12.965","0.003","23.973","0.005","90","","100.04","0.03","90","","6396","2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H104 N8 O14 -","- C58 H104 N8 O14 -","- C232 H416 N32 O56 -","4","2","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.0645","0.0632","","","0.1738","0.1757","","","","","","1.023","","","","has coordinates,has disorder","182790","2020-10-21","18:00:00",""
"7155050","10.846","0.0013","11.5153","0.0015","14.8533","0.0018","90","","90","","90","","1855.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2 S2 -","- C19 H19 N O2 S2 -","- C76 H76 N4 O8 S8 -","4","1","","Wu, Shanchao; Li, Yu; Zhang, Yongqiang; Fang, Kun; Dong, Guoqiang; Liu, Na; Miao, Zhenyuan; Yao, Jianzhong; Wang, Wei; Zhang, Wannian; Sheng, Chunquan","Enantioselective organocatalytic Michael addition of isorhodanines to α,β-unsaturated aldehydes.","Organic & biomolecular chemistry","2016","14","16","3926","3933","10.1039/c5ob02457a","","","0.71073","MoKα","","0.0775","0.0395","","","0.1071","0.1408","","","","","","0.75","","","","has coordinates","182786","2020-10-21","18:00:00",""
"7155051","5.1957","0.0004","12.039","0.0009","12.8927","0.001","112.826","0.002","90.743","0.002","102.195","0.002","722.48","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C28 H36 N4 O12 -","2","1","","Naumovich, Yana A.; Buckland, Victoria Emily; Sen'ko, Dmitry A.; Nelyubina, Yulia V.; Khoroshutina, Yulia A.; Sukhorukov, Alexey Yu; Ioffe, Sema L.","Metal-assisted addition of a nitrate anion to bis(oxy)enamines. A general approach to the synthesis of α-nitroxy-oxime derivatives from nitronates.","Organic & biomolecular chemistry","2016","14","16","3963","3974","10.1039/c6ob00388e","","","0.71073","MoKα","","0.0609","0.0442","","","0.1313","0.1493","","","","","","1.009","","","","has coordinates","182788","2020-10-21","18:00:00",""
"7155052","13.301","0.003","13.892","0.004","6.7933","0.0016","90","","90","","90","","1255.2","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Ranjith Kumar, Gadi; Kiran Kumar, Yalla; Kant, Ruchir; Sridhar Reddy, Maddi","Synthesis of benzofuranyl and indolyl methyl azides by tandem silver-catalyzed cyclization and azidation.","Organic & biomolecular chemistry","2016","14","17","4077","4088","10.1039/c6ob00191b","","","0.71075","MoKα","","0.0465","0.0363","","","0.0794","0.0825","","","","","","0.918","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155053","8.431","0.002","12.486","0.003","10.251","0.003","90","","90.558","0.005","90","","1079.1","0.5","293","","293","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C48 H44 N8 O4 S2 -","2","1","","Ranjith Kumar, Gadi; Kiran Kumar, Yalla; Kant, Ruchir; Sridhar Reddy, Maddi","Synthesis of benzofuranyl and indolyl methyl azides by tandem silver-catalyzed cyclization and azidation.","Organic & biomolecular chemistry","2016","14","17","4077","4088","10.1039/c6ob00191b","","","0.71075","MoKα","","0.0499","0.041","","","0.0925","0.0957","","","","","","0.948","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155054","10.596","0.0008","13.0323","0.001","15.0398","0.0011","89.548","0.002","69.846","0.002","82.38","0.002","1930.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br Cl N2 O -","- C20 H20 Br Cl N2 O -","- C80 H80 Br4 Cl4 N8 O4 -","4","2","","Kuznetsov, N. Yu; Tikhov, R. M.; Godovikov, I. A.; Khrustalev, V. N.; Bubnov, Yu N.","New enolate-carbodiimide rearrangement in the concise synthesis of 6-amino-2,3-dihydro-4-pyridinones from homoallylamines.","Organic & biomolecular chemistry","2016","14","18","4283","4298","10.1039/c6ob00293e","","","0.71073","MoKα","","0.0766","0.0487","","","0.1136","0.1247","","","","","","1.001","","","","has coordinates,has disorder","182777","2020-10-21","18:00:00",""
"7155055","6.684","0.002","11.847","0.004","22.594","0.007","90","","90","","90","","1789.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","- C80 H76 Cl4 N8 O4 -","4","1","","Kuznetsov, N. Yu; Tikhov, R. M.; Godovikov, I. A.; Khrustalev, V. N.; Bubnov, Yu N.","New enolate-carbodiimide rearrangement in the concise synthesis of 6-amino-2,3-dihydro-4-pyridinones from homoallylamines.","Organic & biomolecular chemistry","2016","14","18","4283","4298","10.1039/c6ob00293e","","","0.71073","MoKα","","0.1784","0.0608","","","0.1131","0.1498","","","","","","1","","","","has coordinates","182777","2020-10-21","18:00:00",""
"7155056","10.928","0.0018","11.778","0.0019","13.075","0.002","87.909","0.003","87.569","0.003","77.316","0.002","1639.7","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H29 F6 N3 O3 -","- C36.5 H29 F6 N3 O3 -","- C73 H58 F12 N6 O6 -","2","1","","Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J.","Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines.","Organic & biomolecular chemistry","2016","14","16","3889","3905","10.1039/c6ob00471g","","","0.71073","MoKα","","0.0755","0.061","","","0.1636","0.1798","","","","","","1.041","","","","has coordinates,has disorder","182787","2020-10-21","18:00:00",""
"7155057","7.3173","0.0002","15.5645","0.0004","13.0802","0.0003","90","","90","","90","","1489.71","0.07","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J.","Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines.","Organic & biomolecular chemistry","2016","14","16","3889","3905","10.1039/c6ob00471g","","","0.71073","MoKα","","0.03","0.0294","","","0.0788","0.0795","","","","","","1.058","","","","has coordinates","182787","2020-10-21","18:00:00",""
"7155058","12.5059","0.001","32.64","0.002","9.2776","0.0006","90","","93.765","0.007","90","","3778.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","2","","Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J.","Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines.","Organic & biomolecular chemistry","2016","14","16","3889","3905","10.1039/c6ob00471g","","x-ray","1.54184","CuKα","","0.1334","0.0919","","","0.1916","0.2091","","","","","","1.135","","","","has coordinates","182787","2020-10-21","18:00:00",""
"7155059","7.46841","0.00017","5.90109","0.00011","32.1078","0.001","90","","91.971","0.003","90","","1414.21","0.06","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B N2 -","- C19 H13 B N2 -","- C76 H52 B4 N8 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0554","0.0516","","","0.1498","0.1526","","","","","","1.09","","","","has coordinates","181519","2020-10-21","18:00:00",""
"7155060","7.35557","0.00013","5.95525","0.00011","31.4266","0.0006","90","","90.5796","0.0017","90","","1376.55","0.04","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 B N2 O2 -","- C18 H13 B N2 O2 -","- C72 H52 B4 N8 O8 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0446","0.0404","","","0.1092","0.1138","","","","","","1.035","","","","has coordinates","181519","2020-10-21","18:00:00",""
"7155061","5.7178","0.0003","10.4187","0.0005","24.9522","0.0011","90","","90","","90","","1486.45","0.12","298","2","298","2","","","","","","","NA","4","P 21 21 21","P 2ac 2ab","19","NA","Benzimidazole nucleosides","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Sontakke, Vyankat A.; Lawande, Pravin P.; Kate, Anup N.; Khan, Ayesha; Joshi, Rakesh; Kumbhar, Anupa A.; Shinde, Vaishali S.","Antiproliferative activity of bicyclic benzimidazole nucleosides: synthesis, DNA-binding and cell cycle analysis.","Organic & biomolecular chemistry","2016","14","17","4136","4145","10.1039/c6ob00527f","","","0.71073","MoKα","","0.0742","0.058","","","0.1795","0.2029","","","","","","1.22","","","","has coordinates","182791","2020-10-21","18:00:00",""
"7155062","13.7554","0.0004","18.6455","0.0005","5.3891","0.0001","90","","90","","90","","1382.18","0.06","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","NA","Bicyclic benzimidazole nucleoside","","- C14 H13 Cl N2 O3 -","- C14 H15 Cl N2 O4 -","- C56 H60 Cl4 N8 O16 -","4","1","","Sontakke, Vyankat A.; Lawande, Pravin P.; Kate, Anup N.; Khan, Ayesha; Joshi, Rakesh; Kumbhar, Anupa A.; Shinde, Vaishali S.","Antiproliferative activity of bicyclic benzimidazole nucleosides: synthesis, DNA-binding and cell cycle analysis.","Organic & biomolecular chemistry","2016","14","17","4136","4145","10.1039/c6ob00527f","","","0.71073","MoKα","","0.0487","0.0388","","","0.1111","0.1328","","","","","","1.08","","","","has coordinates","182791","2020-10-21","18:00:00",""
"7155063","7.5256","0.0002","10.2095","0.0003","15.6299","0.0004","93.99","0.001","94.679","0.001","101.089","0.002","1170.07","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,3-dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl) -1-oxo-1,2-dihydronapthalene-2,3-dicarboxylate","","- C28 H24 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0545","0.0415","","","0.1209","0.1328","","","","","","1.098","","","","has coordinates","182776","2020-10-21","18:00:00",""
"7155064","12.1263","0.0011","11.8009","0.0011","16.0657","0.0013","90","","100.181","0.002","90","","2262.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 4-oxo-3-phenyl-1-(thiophen-2-yl)-3-(thiophen-3-yl)-3,4-dihydronaphthalene-2-carboxylate","","- C27 H20 O3 S2 -","- C27 H20 O3 S2 -","- C108 H80 O12 S8 -","4","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.1019","0.0608","","","0.1233","0.1475","","","","","","1.093","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7155065","10.9268","0.001","18.967","0.0014","12.2628","0.0009","90","","93.03","0.002","90","","2537.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-dimethyl 1-oxo-2(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C34 H22 O5 S -","- C34 H22 O5 S -","- C136 H88 O20 S4 -","4","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0611","0.0387","","","0.0888","0.1022","","","","","","1.037","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7155066","16.2811","0.0009","10.0247","0.0005","15.504","0.0009","90","","111.902","0.002","90","","2347.8","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3-dimethyl4-(naphthalen-1-yl)-1-oxo-2-phenyl-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C30 H22 O5 -","- C30 H22 O5 -","- C120 H88 O20 -","4","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0522","0.039","","","0.107","0.1192","","","","","","1.036","","","","has coordinates","182776","2020-10-21","18:00:00",""
"7155067","7.4725","0.0004","12.9073","0.0007","14.9503","0.0008","105.607","0.002","103.985","0.004","100.951","0.005","1296.5","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,3-dimethyl4-(5-hexylthiophen-2-yl)-1-oxo-2-phenyl-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C30 H30 O5 S -","- C30 H30 O5 S -","- C60 H60 O10 S2 -","2","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0552","0.0398","","","0.1208","0.1409","","","","","","0.993","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7155068","8.2596","0.0012","8.9504","0.0013","10.0044","0.0015","75.628","0.013","72.518","0.013","85.932","0.012","683.35","0.18","140","","140","","","","","","","","","4","P -1","-P 1","2","dimethyl quinoxaline dicarboxylate","Dimethyl 5,8-dimethylquinoxaline-2,3-dicarboxylate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Sagar, A.; Vidaycharan, Shinde; Shinde, Anand H.; Sharada, Duddu S.","Hypervalent iodine(iii)-promoted N-incorporation into N-aryl vinylogous carbamates to quinoxaline diesters: access to 1,4,5,8-tetraazaphenanthrene.","Organic & biomolecular chemistry","2016","14","17","4018","4022","10.1039/c6ob00447d","","","1.54184","CuKα","","0.0977","0.063","","","0.178","0.2209","","","","","","1.1126","","","","has coordinates","182792","2020-10-21","18:00:00",""
"7155069","28.78","0.03","6.621","0.007","15.245","0.018","90","","106.775","0.015","90","","2781","5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7a-methyl-2-phenyl-2-(trifluoromethyl)-3a,4-dihydrobenzo[d][1,3]dioxol-5(7aH)-one","","- C15 H13 F3 O3 -","- C15 H13 F3 O3 -","- C120 H104 F24 O24 -","8","1","","Li, Feng; Wang, Jingjing; Xu, Mengmeng; Zhao, Xiaobo; Zhou, Xiaohong; Zhao, Wen-Xian; Liu, Lantao","Catalytic stereoselective cascade reactions of quinols with trifluoromethyl ketones: direct access to CF3-containing 1,3-dioxolanes.","Organic & biomolecular chemistry","2016","14","16","3981","3988","10.1039/c6ob00281a","","","0.71073","MoKα","","0.0833","0.0545","","","0.1312","0.1499","","","","","","1.055","","","","has coordinates","182789","2020-10-21","18:00:00",""
"7155070","11.9786","0.0015","12.3683","0.0016","12.7772","0.0017","76.842","0.002","66.138","0.002","62.478","0.002","1533.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H32 N2 O2 -","- C41 H32 N2 O2 -","- C82 H64 N4 O4 -","2","1","","Wang, Wen-Bo; Zhu, Yan-Shuo; Guo, Sheng-Qiang; Wang, Qi-Lin; Bu, Zhan-Wei","A FeCl3-catalyzed highly regioselective 1,2-addition/substitution sequence for the construction of coumarin-substituted bis(indolyl)methanes.","Organic & biomolecular chemistry","2016","14","19","4420","4425","10.1039/c6ob00515b","","","0.71073","MoKα","","0.0533","0.0416","","","0.118","0.1292","","","","","","1.026","","","","has coordinates","183782","2020-10-21","18:00:00",""
"7155071","12.3797","0.0013","27.177","0.003","7.8604","0.0008","90","","98.193","0.002","90","","2617.6","0.5","115","","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H19 B N6 O2 -","- C33 H19 B N6 O2 -","- C132 H76 B4 N24 O8 -","4","1","","Bernhard, Yann; Gigot, Elodie; Goncalves, Victor; Moreau, Mathieu; Sok, Nicolas; Richard, Philippe; Decréau, Richard A","Direct subphthalocyanine conjugation to bombesin vs. indirect conjugation to its lipidic nanocarrier.","Organic & biomolecular chemistry","2016","14","19","4511","4518","10.1039/c6ob00530f","","x-ray","0.71073","MoKα","","0.059","0.048","","","0.1217","0.1298","","","","","","1.052","","","","has coordinates","183783","2020-10-21","18:00:00",""
"7155072","8.3931","0.0006","12.0705","0.0007","19.3724","0.001","90","","95.807","0.005","90","","1952.5","0.2","295.06","0.1","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N O5 P -","- C20 H22 N O5 P -","- C80 H88 N4 O20 P4 -","4","1","","Zhou, Zhao-Zhao; Zheng, Lan; Yan, Xiao-Biao; Jin, Dong-Po; He, Yu-Tao; Liang, Yong-Min","Silver-promoted cinnamamidyl radical-mediated oxidative cascade cyclization: highly regioselective synthesis of phosphorylated azaspiro[4.5]decenones.","Organic & biomolecular chemistry","2016","14","19","4507","4510","10.1039/c6ob00505e","","x-ray","0.71","MoKα","","0.1029","0.0592","","","0.1415","0.1785","","","","","","1.034","","","","has coordinates","183784","2020-10-21","18:00:00",""
"7155073","8.7753","0.0001","21.3925","0.0002","12.0847","0.0001","90","","107.293","0.0012","90","","2166.06","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N O4 S -","- C12 H19 N O4 S -","- C72 H114 N6 O24 S6 -","6","3","","Panduwawala, Tharindi D.; Iqbal, Sarosh; Tirfoin, Rémi; Moloney, Mark G.","Chemoselectivity and stereoselectivity of cyclisation pathways leading to bicyclic tetramates controlled by ring-chain tautomerisation in thiazolidines.","Organic & biomolecular chemistry","2016","14","19","4464","4478","10.1039/c6ob00557h","","","1.5418","CuKα","","0.0293","0.0283","","0.0734","0.0723","0.0734","","","","","","0.9994","","","","has coordinates","183785","2020-10-21","18:00:00",""
"7155074","8.8135","0.0007","9.3935","0.0009","11.2015","0.001","78.735","0.008","81.657","0.007","85.426","0.007","898.61","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N O8 P -","- C16 H20 N O8 P -","- C32 H40 N2 O16 P2 -","2","1","","Smetanin, Ilia A.; Novikov, Mikhail S.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Kudryavtsev, Igor V.; Terpilowski, Maxim A.; Serebriakova, Maria K.; Trulioff, Andrey S.; Goncharov, Nikolay V.","A novel strategy for the synthesis of thermally stable and apoptosis-inducing 2,3-dihydroazetes.","Organic & biomolecular chemistry","2016","14","19","4479","4487","10.1039/c6ob00588h","","","0.7107","MoKα","","0.046","0.0377","","","0.0924","0.0982","","","","","","1.03","","","","has coordinates","183786","2020-10-21","18:00:00",""
"7155075","9.47048","0.00018","8.60587","0.00017","18.2016","0.0004","90","","98.1319","0.0017","90","","1468.55","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O6 -","- C15 H15 N O6 -","- C60 H60 N4 O24 -","4","1","","Smetanin, Ilia A.; Novikov, Mikhail S.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Kudryavtsev, Igor V.; Terpilowski, Maxim A.; Serebriakova, Maria K.; Trulioff, Andrey S.; Goncharov, Nikolay V.","A novel strategy for the synthesis of thermally stable and apoptosis-inducing 2,3-dihydroazetes.","Organic & biomolecular chemistry","2016","14","19","4479","4487","10.1039/c6ob00588h","","","1.5418","CuKα","","0.0353","0.0322","","","0.0798","0.0827","","","","","","1.046","","","","has coordinates","183786","2020-10-21","18:00:00",""
"7155076","9.4276","0.0005","11.2761","0.0009","11.6981","0.001","112.674","0.008","90.151","0.005","96.976","0.005","1137.32","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H22 N2 O2 -","- C31 H22 N2 O2 -","- C62 H44 N4 O4 -","2","1","","Tulichala, R. N. Prasad; Swamy, K. C. Kumara","Reactivity of alkynylindole-2-carboxamides in [Pd]-catalysed C-H activation and phase transfer catalysis: formation of pyrrolo-diindolones vs. β-carbolinones.","Organic & biomolecular chemistry","2016","14","19","4519","4533","10.1039/c6ob00583g","","","1.54184","CuKα","","0.0579","0.0449","","","0.1166","0.129","","","","","","1.029","","","","has coordinates","183787","2020-10-21","18:00:00",""
"7155077","11.5059","0.0004","12.8459","0.0006","15.602","0.0008","106.081","0.004","93.226","0.004","109.728","0.004","2056.95","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C104 H88 N8 O8 -","4","2","","Tulichala, R. N. Prasad; Swamy, K. C. Kumara","Reactivity of alkynylindole-2-carboxamides in [Pd]-catalysed C-H activation and phase transfer catalysis: formation of pyrrolo-diindolones vs. β-carbolinones.","Organic & biomolecular chemistry","2016","14","19","4519","4533","10.1039/c6ob00583g","","","1.54184","CuKα","","0.06","0.0488","","","0.1277","0.1402","","","","","","1.034","","","","has coordinates","183787","2020-10-21","18:00:00",""
"7155078","11.3239","0.0005","12.888","0.0007","25.7528","0.0011","90","","90","","90","","3758.4","0.3","99.97","0.15","99.97","0.15","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 B2 N4 O6 -","- C38 H34 B2 N4 O6 -","- C152 H136 B8 N16 O24 -","4","1","","Liu, Bowen; Novikova, Nina; Simpson, M. Cather; Timmer, Mattie S. M.; Stocker, Bridget L.; Söhnel, Tilo; Ware, David C.; Brothers, Penelope J.","Lighting up sugars: fluorescent BODIPY-gluco-furanose and -septanose conjugates linked by direct B-O-C bonds.","Organic & biomolecular chemistry","2016","14","23","5205","5209","10.1039/c6ob00726k","","x-ray","1.54184","CuKα","","0.0534","0.0482","","","0.129","0.1326","","","","","","0.998","","","","has coordinates","183778","2020-10-21","18:00:00",""
"7155079","37.5988","0.0015","14.8713","0.0006","8.2281","0.0003","90","","93.381","0.003","90","","4592.7","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","1:1 ?-glucofuranose BODIPY ester","","","- C44 H46 B2 N4 O17 -","- C44 H46 B2 N4 O17 -","- C176 H184 B8 N16 O68 -","4","1","","Liu, Bowen; Novikova, Nina; Simpson, M. Cather; Timmer, Mattie S. M.; Stocker, Bridget L.; Söhnel, Tilo; Ware, David C.; Brothers, Penelope J.","Lighting up sugars: fluorescent BODIPY-gluco-furanose and -septanose conjugates linked by direct B-O-C bonds.","Organic & biomolecular chemistry","2016","14","23","5205","5209","10.1039/c6ob00726k","","","0.71073","MoKα","","0.092","0.0871","","","0.2318","0.2389","","","","","","1.081","","","","has coordinates","183778","2020-10-21","18:00:00",""
"7155080","5.6525","0.0014","7.679","0.002","32.488","0.009","90","","90","","90","","1410.2","0.6","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C56 H76 N4 O24 -","4","1","","Qian, Bao-Chen; Kamori, Akiko; Kinami, Kyoko; Kato, Atsushi; Li, Yi-Xian; Fleet, George W. J.; Yu, Chu-Yi","Epimerization of C5 of an N-hydroxypyrrolidine in the synthesis of swainsonine related iminosugars.","Organic & biomolecular chemistry","2016","14","19","4488","4498","10.1039/c6ob00531d","","","0.71073","MoKα","","0.035","0.0337","","","0.0726","0.0733","","","","","","1.117","","","","has coordinates","183781","2020-10-21","18:00:00",""
"7155081","5.5868","0.0004","6.1938","0.0004","31.33","0.002","90","","90","","90","","1084.13","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0306","0.0267","","","0.0595","0.061","","","","","","1.059","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155082","23.8066","0.0009","5.4476","0.0002","10.6667","0.0004","90","","109.766","0.001","90","","1301.85","0.08","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H12 N4 O7 S -","- C9 H12 N4 O7 S -","- C36 H48 N16 O28 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0243","0.0232","","","0.0578","0.0584","","","","","","1.072","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7155083","5.813","0.009","9.696","0.014","11.51","0.02","90","","97.53","0.05","90","","643.1","1.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 N2 O6 S -","- C11 H16 N2 O6 S -","- C22 H32 N4 O12 S2 -","2","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0757","0.0604","","","0.139","0.1454","","","","","","1.03","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155084","6.2462","0.0004","9.5487","0.0007","20.1585","0.0015","90","","90","","90","","1202.32","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N4 O5 S -","- C9 H12 N4 O5 S -","- C36 H48 N16 O20 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0445","0.0354","","","0.0788","0.0833","","","","","","1.059","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155085","6.4782","0.0003","9.8389","0.0004","28.471","0.0012","90","","90","","90","","1814.69","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 B N2 O7 S -","- C17 H19 B N2 O7 S -","- C68 H76 B4 N8 O28 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0474","0.0376","","","0.0742","0.0771","","","","","","1.041","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155086","11.8465","0.0005","23.7593","0.001","6.5189","0.0003","90","","90","","90","","1834.84","0.14","140","2","140","2","","","","","","","plant","3","P 21 21 21","P 2ac 2ab","19","","(4S,5S,9S,10R)-13,14-seco-13-oxo-18-hydroxy-ent-abieta-7-en-14- oic acid","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Xiong, Juan; Hong, Zhi-Lai; Xu, Peng; Zou, Yike; Yu, Shang-Bo; Yang, Guo-Xun; Hu, Jin-Feng","ent-Abietane diterpenoids with anti-neuroinflammatory activity from the rare Chloranthaceae plant Chloranthus oldhamii.","Organic & biomolecular chemistry","2016","14","20","4678","4689","10.1039/c6ob00731g","","","1.54178","CuKα","","0.0625","0.057","","","0.158","0.1632","","","","","","1.016","","","","has coordinates","183771","2020-10-21","18:00:00",""
"7155087","14.6923","0.0014","5.7956","0.0006","18.3537","0.0017","90","","103.638","0.007","90","","1518.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Bhunia, Anup; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Synthesis of 4H-chromenes by an unexpected, K3PO4-mediated intramolecular Rauhut-Currier type reaction.","Organic & biomolecular chemistry","2016","14","24","5612","5616","10.1039/c6ob00654j","","","0.71073","MoKα","","0.0697","0.0462","","","0.1054","0.118","","","","","","1.056","","","","has coordinates","183761","2020-10-21","18:00:00",""
"7155088","6.07","0.001","21.309","0.003","14.389","0.002","90","","93.273","0.002","90","","1858.1","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Bhunia, Anup; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Synthesis of 4H-chromenes by an unexpected, K3PO4-mediated intramolecular Rauhut-Currier type reaction.","Organic & biomolecular chemistry","2016","14","24","5612","5616","10.1039/c6ob00654j","","","0.71073","MoKα","","0.0423","0.0378","","","0.0949","0.0987","","","","","","1.053","","","","has coordinates","183761","2020-10-21","18:00:00",""
"7155089","5.808","0.0007","29.856","0.004","9.5397","0.0011","90","","90.185","0.007","90","","1654.2","0.4","296","2","296","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","triazolyl","triazolyl","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","2","","Bag, Subhendu Sekhar; Talukdar, Sangita; Das, Suman Kalyan; Pradhan, Manoj Kumar; Mukherjee, Soumen","Donor/acceptor chromophores-decorated triazolyl unnatural nucleosides: synthesis, photophysical properties and study of interaction with BSA.","Organic & biomolecular chemistry","2016","14","22","5088","5108","10.1039/c6ob00500d","","x-ray","0.71073","MoKα","","0.0881","0.0478","","","0.0913","0.1066","","","","","","0.989","","","","has coordinates","183749","2020-10-21","18:00:00",""
"7155090","6.4456","0.0007","9.8102","0.0008","21.821","0.0019","90","","90","","90","","1379.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triazolyl","triazolyl","","- C13 H14 N4 O5 -","- C13 H14 N4 O5 -","- C52 H56 N16 O20 -","4","1","","Bag, Subhendu Sekhar; Talukdar, Sangita; Das, Suman Kalyan; Pradhan, Manoj Kumar; Mukherjee, Soumen","Donor/acceptor chromophores-decorated triazolyl unnatural nucleosides: synthesis, photophysical properties and study of interaction with BSA.","Organic & biomolecular chemistry","2016","14","22","5088","5108","10.1039/c6ob00500d","","x-ray","0.71073","MoKα","","0.1109","0.0509","","","0.0965","0.1143","","","","","","0.933","","","","has coordinates","183749","2020-10-21","18:00:00",""
"7155091","8.0136","0.0016","10.278","0.002","13.463","0.003","70.38","0.03","86.42","0.03","78.55","0.03","1023.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C46 H64 O6 -","2","1","","Zhao, Yi-Shuang; Tang, Xiao-Qi; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Efficient access to cis-decalinol frameworks: copper(i)-catalyzed borylative cyclization of allene cyclohexanediones.","Organic & biomolecular chemistry","2016","14","19","4400","4404","10.1039/c6ob00804f","","","1.54178","CuKα","","0.0459","0.0441","","","0.1229","0.125","","","","","","1.053","","","","has coordinates","183788","2020-10-21","18:00:00",""
"7155092","10.555","0.002","7.2517","0.0015","18.652","0.004","90","","101.9","0.03","90","","1397","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 B O3 -","- C15 H21 B O3 -","- C60 H84 B4 O12 -","4","1","","Zhao, Yi-Shuang; Tang, Xiao-Qi; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Efficient access to cis-decalinol frameworks: copper(i)-catalyzed borylative cyclization of allene cyclohexanediones.","Organic & biomolecular chemistry","2016","14","19","4400","4404","10.1039/c6ob00804f","","","1.54178","CuKα","","0.0405","0.0398","","","0.1055","0.1061","","","","","","1.052","","","","has coordinates","183788","2020-10-21","18:00:00",""
"7155093","26.3331","0.0015","6.7154","0.0004","12.9775","0.0007","90","","101.913","0.003","90","","2245.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4gip233b","4gip233b","","- C23 H29 N3 O6 -","- C23 H29 N3 O6 -","- C92 H116 N12 O24 -","4","1","","Kensy, Victoria K.; Peterson, Gregory I.; Church, Derek C.; Yakelis, Neal A.; Boydston, Andrew J.","Investigation of the dynamic nature of 1,2-oxazines derived from peralkylcyclopentadiene and nitrosocarbonyl species.","Organic & biomolecular chemistry","2016","14","24","5617","5621","10.1039/c6ob00400h","","","0.71073","MoKα","","0.0791","0.0417","","","0.0885","0.102","","","","","","1.009","","","","has coordinates","183755","2020-10-21","18:00:00",""
"7155094","11.526","0.005","22.824","0.005","8.601","0.005","90","0.005","96.987","0.005","90","0.005","2245.9","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4gip233a","4gip233a","","- C23 H29 N3 O6 -","- C23 H29 N3 O6 -","- C92 H116 N12 O24 -","4","1","","Kensy, Victoria K.; Peterson, Gregory I.; Church, Derek C.; Yakelis, Neal A.; Boydston, Andrew J.","Investigation of the dynamic nature of 1,2-oxazines derived from peralkylcyclopentadiene and nitrosocarbonyl species.","Organic & biomolecular chemistry","2016","14","24","5617","5621","10.1039/c6ob00400h","","","0.71073","MoKα","","0.0686","0.0581","","","0.1371","0.1422","","","","","","1.13","","","","has coordinates","183755","2020-10-21","18:00:00",""
"7155095","11.592","0.002","11.7363","0.0013","11.788","0.0013","118.728","0.001","104.041","0.002","100.602","0.002","1276.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 Cl N O2 S Si2 -","- C23 H30 Cl N O2 S Si2 -","- C46 H60 Cl2 N2 O4 S2 Si4 -","2","1","","Karmakar, Rajdip; Wang, Kung-Pern; Yun, Sang Young; Mamidipalli, Phani; Lee, Daesung","Hydrohalogenative aromatization of multiynes promoted by ruthenium alkylidene complexes.","Organic & biomolecular chemistry","2016","14","21","4782","4788","10.1039/c6ob00524a","","","0.71073","MoKα","","0.0346","0.0284","","","0.1189","0.1314","","","","","","1.072","","","","has coordinates","183774","2020-10-21","18:00:00",""
"7155096","10.9257","0.0005","12.2016","0.0004","12.7292","0.0004","111.624","0.003","97.49","0.003","110.94","0.004","1404.62","0.12","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 F3 N2 O7 -","- C30 H31 F3 N2 O7 -","- C60 H62 F6 N4 O14 -","2","1","","Pascal, Simon; Besnard, Céline; Zinna, Francesco; Di Bari, Lorenzo; Le Guennic, Boris; Jacquemin, Denis; Lacour, Jérôme","Zwitterionic [4]helicene: a water-soluble and reversible pH-triggered ECD/CPL chiroptical switch in the UV and red spectral regions.","Organic & biomolecular chemistry","2016","14","20","4590","4594","10.1039/c6ob00752j","","x-ray","1.5418","CuKα","","0.0514","0.0465","","","0.1259","0.1309","","","","","","1.061","","","","has coordinates,has disorder","183770","2020-10-21","18:00:00",""
"7155097","12.454","0.0009","10.0078","0.0003","16.746","0.0008","90","","109.346","0.008","90","","1969.3","0.2","106.1","","106.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hydrazine 4ab","diethyl 1-(1-chloroethanesulfonyl)-2-(4-nitrobenzoyl)hydrazine-1,2-dicarboxylate","","- C15 H18 Cl N3 O9 S -","- C15 H18 Cl N3 O9 S -","- C60 H72 Cl4 N12 O36 S4 -","4","1","","Zhou, Bingnan; Xu, Jiaxi","Tertiary amine-catalyzed and direct synthesis of α-chloroalkanesulfonylhydrazines from azodicarboxylates and sulfonyl chlorides.","Organic & biomolecular chemistry","2016","14","21","4918","4926","10.1039/c6ob00648e","","","0.7107","MoKα","","0.0692","0.0572","","","0.1348","0.1418","","","","","","1.067","","","","has coordinates,has disorder","183775","2020-10-21","18:00:00",""
"7155098","10.3564","0.0013","12.0563","0.0015","14.1956","0.0018","69.77","0.005","82.139","0.006","68.496","0.005","1547.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","Benzyl 2-diethoxyphosphoryloxy-2,3-diphenyl-3-(N-tosylamino)propioate","","- C33 H36 N O8 P S -","- C33 H36 N O8 P S -","- C66 H72 N2 O16 P2 S2 -","2","1","","Kondoh, Azusa; Terada, Masahiro","Brønsted base-catalyzed three-component coupling reaction of α-ketoesters, imines, and diethyl phosphite utilizing [1,2]-phospha-Brook rearrangement.","Organic & biomolecular chemistry","2016","14","20","4704","4711","10.1039/c6ob00739b","","","0.71075","MoKα","","0.073","0.0627","","","0.1554","0.1641","","","","","","1.041","","","","has coordinates","183772","2020-10-21","18:00:00",""
"7155099","9.2124","0.0017","24.401","0.005","12.236","0.002","90","","91.337","0.006","90","","2749.8","0.9","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Benzyl 2-diethoxyphosphoryloxy-4-nitro-2,3-diphenylbutanoate","","- C27 H30 N O8 P -","- C27 H30 N O8 P -","- C108 H120 N4 O32 P4 -","4","1","","Kondoh, Azusa; Terada, Masahiro","Brønsted base-catalyzed three-component coupling reaction of α-ketoesters, imines, and diethyl phosphite utilizing [1,2]-phospha-Brook rearrangement.","Organic & biomolecular chemistry","2016","14","20","4704","4711","10.1039/c6ob00739b","","","0.71075","MoKα","","0.0597","0.0482","","","0.1077","0.1137","","","","","","1.074","","","","has coordinates","183772","2020-10-21","18:00:00",""
"7155100","13.7074","0.0004","16.534","0.0005","7.8722","0.0002","90","","103.803","0.002","90","","1732.62","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,6-dimethylphenyl)-9-methyl-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Hernández-Vázquez, Eduardo; Miranda, Luis D.","Practical synthesis and cytotoxic evaluation of the pyrazino[1,2-b]-isoquinoline ring system.","Organic & biomolecular chemistry","2016","14","21","4875","4884","10.1039/c6ob00431h","","","0.71073","MoKα","","0.1155","0.05","","","0.1121","0.1404","","","","","","0.912","","","","has coordinates","183777","2020-10-21","18:00:00",""
"7155101","6.0126","0.0002","8.6199","0.0002","14.4875","0.0004","87.165","0.001","79.597","0.001","86.91","0.001","736.84","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-benzyl‒2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C38 H32 N4 O4 -","2","1","","Hernández-Vázquez, Eduardo; Miranda, Luis D.","Practical synthesis and cytotoxic evaluation of the pyrazino[1,2-b]-isoquinoline ring system.","Organic & biomolecular chemistry","2016","14","21","4875","4884","10.1039/c6ob00431h","","","0.71073","MoKα","","0.0585","0.0395","","","0.1018","0.1134","","","","","","1.038","","","","has coordinates,has disorder","183777","2020-10-21","18:00:00",""
"7155102","14.7051","0.0013","7.9191","0.0007","26.746","0.002","90","","93.6625","0.0013","90","","3108.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C128 H104 Cl16 N8 O32 -","8","1","","Karak, Milandip; Barbosa, Luiz C. A.; Acosta, Jaime A. M.; Sarotti, Ariel M.; Boukouvalas, John","Thermodynamically driven, syn-selective vinylogous aldol reaction of tetronamides.","Organic & biomolecular chemistry","2016","14","21","4897","4907","10.1039/c6ob00895j","","","0.71073","MoKα","","0.0441","0.0334","","","0.0759","0.0816","","","","","","1.05","","","","has coordinates","183776","2020-10-21","18:00:00",""
"7155103","12.8328","0.0002","26.5383","0.0004","9.2577","0.0001","90","","90","","90","","3152.81","0.08","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C128 H104 Cl16 N8 O32 -","8","1","","Karak, Milandip; Barbosa, Luiz C. A.; Acosta, Jaime A. M.; Sarotti, Ariel M.; Boukouvalas, John","Thermodynamically driven, syn-selective vinylogous aldol reaction of tetronamides.","Organic & biomolecular chemistry","2016","14","21","4897","4907","10.1039/c6ob00895j","","x-ray","1.54178","CuKα","","0.0307","0.0307","","","0.0805","0.0806","","","","","","1.067","","","","has coordinates","183776","2020-10-21","18:00:00",""
"7155104","17.381","0.003","13.319","0.002","18.156","0.003","90","","90","","90","","4203.1","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 O5 P -","- C24 H25 O5 P -","- C192 H200 O40 P8 -","8","1","","Koppanathi, Nagaraju; Swamy, K. C. Kumara","Regioselective carboannulation of electron-deficient allenes with dialkyl (2-formylphenyl)malonates leading to multisubstituted naphthalenes.","Organic & biomolecular chemistry","2016","14","22","5079","5087","10.1039/c6ob00787b","","","0.71073","MoKα","","0.0777","0.0487","","","0.1147","0.1328","","","","","","0.954","","","","has coordinates","183748","2020-10-21","18:00:00",""
"7155105","10.0372","0.0004","13.0997","0.0005","15.0079","0.0005","90","","90","","90","","1973.3","0.13","100","2","100","2","","","","","","","stable","3","P 21 21 21","P 2ac 2ab","19","","(R,E)-2-(1-oxo-1-phenylpropan-2-ylidene)-4-phenyl-1,10b-dihydro-2H,5H-pyrano[3,4-c]chromen-5-one","","- C27 H20 O4 -","- C27 H20 O4 -","- C108 H80 O16 -","4","1","","Han, Xiaoyu; Ni, Huanzhen; Chan, Wai-Lun; Gai, Xikun; Wang, Yongjiang; Lu, Yixin","Highly enantioselective synthesis of dihydrocoumarin-fused dihydropyrans via the phosphine-catalyzed [4 + 2] annulation of allenones with 3-aroylcoumarins.","Organic & biomolecular chemistry","2016","14","22","5059","5064","10.1039/c6ob00955g","","","1.54178","CuKα","","0.0305","0.0302","","","0.0793","0.0796","","","","","","1.06","","","","has coordinates","183750","2020-10-21","18:00:00",""
"7155106","9.7777","0.0006","14.7275","0.0009","18.3746","0.0013","94.956","0.003","98.625","0.003","90.324","0.003","2605.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 I N2 -","- C14 H11 I N2 -","- C112 H88 I8 N16 -","8","4","","Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda","Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","22","5073","5078","10.1039/c6ob00656f","","","0.71073","MoKα","","0.1163","0.0729","","","0.2179","0.2551","","","","","","1.65","","","","has coordinates","183751","2020-10-21","18:00:00",""
"7155107","8.2657","0.0004","14.1996","0.0006","21.2896","0.0009","90","","90","","90","","2498.75","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 I N2 -","- C14 H11 I N2 -","- C112 H88 I8 N16 -","8","2","","Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda","Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","22","5073","5078","10.1039/c6ob00656f","","","0.71073","MoKα","","0.0453","0.0395","","","0.1181","0.1313","","","","","","1.147","","","","has coordinates","183751","2020-10-21","18:00:00",""
"7155108","10.5054","0.0006","13.8935","0.0009","14.8405","0.001","102.826","0.004","105.411","0.004","94.441","0.004","2014.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 I N2 S -","- C15 H9 I N2 S -","- C90 H54 I6 N12 S6 -","6","3","","Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda","Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","22","5073","5078","10.1039/c6ob00656f","","","0.71073","MoKα","","0.1079","0.048","","","0.1332","0.1859","","","","","","1.065","","","","has coordinates","183751","2020-10-21","18:00:00",""
"7155109","8.805","0.003","9.007","0.004","10.923","0.004","67.435","0.009","78.145","0.009","73.817","0.01","763.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","","Chen, Tingting; Cai, Chun","Imidazolylpyridine-In(OTf)3 catalyzed enantioselective allylation of ketimines derived from isatins.","Organic & biomolecular chemistry","2016","14","22","5019","5022","10.1039/c6ob00551a","","","0.71073","MoKα","","0.0824","0.0776","","","0.2292","0.2368","","","","","","1.062","","","","has coordinates","183747","2020-10-21","18:00:00",""
"7155110","8.4625","0.0004","22.0335","0.0009","33.7885","0.0014","90","","90.083","0.001","90","","6300.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O4 S2 -","- C23 H20 N2 O4 S2 -","- C276 H240 N24 O48 S24 -","12","3","","Zhang, Xiaolei; Wu, Rui; Liu, Wanyi; Qian, Dang-Wei; Yang, Jinhui; Jiang, Pengju; Zheng, Qing-Zhong","Copper-catalyzed intermolecular amidation of 8-methylquinolines with N-fluoroarylsulfonimides via Csp(3)-H activation.","Organic & biomolecular chemistry","2016","14","21","4789","4793","10.1039/c6ob00553e","","","0.71073","MoKα","","0.1493","0.1272","","","0.2561","0.2668","","","","","","1.216","","","","has coordinates","183773","2020-10-21","18:00:00",""
"7155111","10.5253","0.0007","19.4986","0.0012","15.3673","0.001","90","","90.034","0.002","90","","3153.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H42 N2 O2 -","- C38 H42 N2 O2 -","- C152 H168 N8 O8 -","4","2","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.154","0.137","","","0.3205","0.3306","","","","","","1.081","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155112","9.5","0.005","11.269","0.005","12.113","0.006","111.974","0.007","97.28","0.008","101.443","0.007","1149.5","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O -","- C29 H26 N2 O -","- C58 H52 N4 O2 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0897","0.0551","","","0.1439","0.2038","","","","","","0.885","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155113","9.752","0.014","11.395","0.016","12.462","0.017","105.79","0.03","107.47","0.02","99.95","0.02","1221","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O -","- C29 H26 N2 O -","- C58 H52 N4 O2 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.1476","0.0693","","","0.1651","0.2299","","","","","","0.841","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155114","9.0981","0.0018","20.673","0.004","24.866","0.005","90","","90","","90","","4676.9","1.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H27 N3 -","- C30 H27 N3 -","- C240 H216 N24 -","8","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0931","0.0513","","","0.1145","0.15","","","","","","1.02","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7155115","19.869","0.009","8.329","0.003","23.3","0.009","90","","110.432","0.012","90","","3613","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N3 -","- C23 H21 N3 -","- C184 H168 N24 -","8","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0903","0.0644","","","0.1709","0.1952","","","","","","1.042","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155116","7.845","0.005","9.525","0.003","14.475","0.005","102.857","0.005","103.298","0.002","104.067","0.005","975.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C46 H52 N4 O4 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0845","0.0567","","","0.1437","0.1677","","","","","","1.067","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155117","9.929","0.004","10.675","0.004","12.143","0.004","90.655","0.007","113.506","0.006","109.344","0.006","1098.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C58 H52 N4 O4 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.067","0.0512","","","0.1243","0.1503","","","","","","1.09","","","","has coordinates","183754","2020-10-21","18:00:00",""
"7155118","13.9952","0.0018","8.4878","0.0011","16.603","0.002","90","","101.548","0.002","90","","1932.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0775","0.05","","","0.1536","0.174","","","","","","1.056","","","","has coordinates","183780","2020-10-21","18:00:00",""
"7155119","8.4422","0.0013","9.1367","0.0014","12.95","0.002","98.373","0.002","97.607","0.002","101.428","0.002","955.2","0.3","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C42 H40 N4 O10 -","2","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0535","0.0468","","","0.1478","0.158","","","","","","1.043","","","","has coordinates","183780","2020-10-21","18:00:00",""
"7155120","9.4039","0.001","17.681","0.002","12.434","0.0014","90","","110.481","0.002","90","","1936.7","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0454","0.0378","","","0.1086","0.1164","","","","","","1.044","","","","has coordinates","183780","2020-10-21","18:00:00",""
"7155121","9.1206","0.0007","12.5475","0.0009","15.2318","0.0011","103.415","0.001","99.625","0.001","110.111","0.001","1532.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 O8 -","- C34 H33 N3 O8 -","- C68 H66 N6 O16 -","2","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0755","0.0626","","","0.1403","0.1488","","","","","","1.099","","","","has coordinates","183780","2020-10-21","18:00:00",""
"7155122","9.4639","0.0006","18.9173","0.0012","12.0648","0.0008","90","","103.506","0.001","90","","2100.2","0.2","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl F3 N2 O3 -","- C18 H16 Cl F3 N2 O3 -","- C72 H64 Cl4 F12 N8 O12 -","4","2","","Zhou, Ding; Yu, Xueting; Zhang, Jian; Wang, Wei; Xie, Hexin","Organocatalytic asymmetric addition of alcohols to cyclic trifluoromethyl ketimines: highly enantioselective synthesis of chiral N,O-ketals.","Organic & biomolecular chemistry","2016","14","26","6193","6196","10.1039/c6ob00890a","","","0.71073","MoKα","","0.0665","0.0564","","","0.1572","0.1661","","","","","","1.058","","","","has coordinates","185632","2020-10-21","18:00:00",""
"7155123","5.7389","0.0004","11.4338","0.0008","22.2456","0.0018","90","","90","","90","","1459.7","0.19","207","70","207","70","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Fu, Xuan; Lin, Lili; Xia, Yong; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric [3 + 3] annulation of cyclopropanes with mercaptoacetaldehyde.","Organic & biomolecular chemistry","2016","14","25","5914","5917","10.1039/c6ob00948d","","x-ray","0.71073","MoKα","","0.0467","0.0432","","","0.1019","0.1068","","","","","","1.054","","","","has coordinates","185634","2020-10-21","18:00:00",""
"7155124","7.5608","0.0008","13.1579","0.0014","16.9471","0.0018","90","","90","","90","","1686","0.3","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C68 H84 N4 O20 S4 -","4","1","","Fu, Jian-Guo; Shan, Yi-Fan; Sun, Wang-Bin; Lin, Guo-Qiang; Sun, Bing-Feng","An asymmetric approach to bicyclo[2.2.1]heptane-1-carboxylates via a formal [4 + 2] cycloaddition reaction enabled by organocatalysis.","Organic & biomolecular chemistry","2016","14","23","5229","5232","10.1039/c6ob00814c","","","0.71073","MoKα","","0.0462","0.0395","","","0.0933","0.097","","","","","","1.03","","","","has coordinates,has disorder","183779","2020-10-21","18:00:00",""
"7155125","5.4675","0.0003","9.3791","0.0007","11.1931","0.0009","84.624","0.005","79.858","0.004","82.835","0.004","559.09","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 F N O2 -","- C15 H8 F N O2 -","- C30 H16 F2 N2 O4 -","2","1","","Ali, Wajid; Modi, Anju; Behera, Ahalya; Mohanta, Prakash Ranjan; Patel, Bhisma K.","Cs2CO3 as a source of carbonyl and ethereal oxygen in a Cu-catalysed cascade synthesis of benzofuran [3,2-c] quinolin-6[5-H]ones.","Organic & biomolecular chemistry","2016","14","25","5940","5944","10.1039/c6ob01029f","","","0.71073","MoKα","","0.1528","0.0759","","","0.1259","0.1537","","","","","","0.931","","","","has coordinates","185636","2020-10-21","18:00:00",""
"7155126","5.8626","0.0012","8.971","0.0018","15.298","0.003","94.01","0.03","94","0.03","92.42","0.03","799.8","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O -","- C21 H18 O -","- C42 H36 O2 -","2","1","","Zhong, Shanshan; Lu, Yu; Zhang, Yan; Liu, Yunyun; Wan, Jie-Ping","Synthesis of β,β-diaryl propiophenones via palladium-catalyzed domino arylboronation, elimination and enone hydroarylation of enaminones.","Organic & biomolecular chemistry","2016","14","26","6270","6273","10.1039/c6ob01038e","","","0.71073","MoKα","","0.0706","0.0382","","","0.1025","0.1408","","","","","","1.129","","","","has coordinates","185627","2020-10-21","18:00:00",""
"7155127","11.689","0.002","17.969","0.004","12.35","0.003","90","","90.44","0.03","90","","2593.9","1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R,E)-tert-butyl 3-(4-bromobenzylidene)-4-((S)-1-(4-methoxyphenyl)-2-nitroethyl)-2,5-dioxopyrrolidine-1-carboxylate","","- C25 H25 Br N2 O7 -","- C25 H25 Br N2 O7 -","- C100 H100 Br4 N8 O28 -","4","2","","Zhao, Bo-Liang; Zhang, Dongxiang; Liu, Lei; Du, Da-Ming","Organocatalytic asymmetric Michael addition of α-alkylidene succinimides to nitrostyrenes.","Organic & biomolecular chemistry","2016","14","26","6337","6345","10.1039/c6ob00711b","","","0.71073","MoKα","","0.0632","0.053","","","0.1486","0.1722","","","","","","1.098","","","","has coordinates","185628","2020-10-21","18:00:00",""
"7155128","8.1994","0.0005","5.9821","0.0004","13.9212","0.0009","90","","93.572","0.006","90","","681.5","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 F3 N2 O4 -","- C12 H13 F3 N2 O4 -","- C24 H26 F6 N4 O8 -","2","1","","You, Zhi-Hao; Chen, Ying-Han; Liu, Yan-Kai","From racemic precursors to fully stereocontrolled products: one-pot synthesis of chiral α-amino lactones and lactams.","Organic & biomolecular chemistry","2016","14","26","6316","6327","10.1039/c6ob00953k","","","1.54184","CuKα","","0.0639","0.0547","","","0.1551","0.1662","","","","","","1.046","","","","has coordinates","185629","2020-10-21","18:00:00",""
"7155129","5.4617","0.0003","8.2109","0.0005","23.4585","0.0011","90","","90","","90","","1052.01","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","You, Zhi-Hao; Chen, Ying-Han; Liu, Yan-Kai","From racemic precursors to fully stereocontrolled products: one-pot synthesis of chiral α-amino lactones and lactams.","Organic & biomolecular chemistry","2016","14","26","6316","6327","10.1039/c6ob00953k","","","1.54184","CuKα","","0.0599","0.0457","","","0.1115","0.1229","","","","","","1.046","","","","has coordinates","185629","2020-10-21","18:00:00",""
"7155130","8.7507","0.0008","13.2608","0.0011","12.676","0.0011","90","","93.655","0.004","90","","1467.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C56 H72 N8 O24 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0806","0.0539","","","0.1388","0.1555","","","","","","1.024","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155131","8.7337","0.001","10.5429","0.0013","11.3995","0.0014","64.657","0.004","80","0.004","74.626","0.004","912.5","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C40 H44 N4 O12 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0685","0.0464","","","0.1243","0.1432","","","","","","1.099","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155132","11.095","0.0013","10.2803","0.0013","19.4298","0.0019","90","","109.348","0.006","90","","2091","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C88 H104 N8 O24 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1178","0.0586","","","0.1284","0.1522","","","","","","1.024","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155133","7.952","0.002","12.865","0.003","16.507","0.004","90","","107.409","0.012","90","","1611.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O6 S -","- C14 H18 N2 O6 S -","- C56 H72 N8 O24 S4 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0688","0.0469","","","0.1296","0.1493","","","","","","1.065","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155134","8.8046","0.0014","10.5597","0.0017","11.8943","0.0019","69.617","0.004","83.083","0.004","73.659","0.004","994.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Br N2 O6 S -","- C19 H19 Br N2 O6 S -","- C38 H38 Br2 N4 O12 S2 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0449","0.0369","","","0.0934","0.0971","","","","","","1.088","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155135","9.954","0.007","16.203","0.01","13.457","0.007","90","","96.401","0.019","90","","2157","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C84 H96 N8 O24 S4 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1392","0.0927","","","0.2615","0.3022","","","","","","1.032","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155136","9.3547","0.0017","10.5618","0.0019","11.822","0.002","63.544","0.005","75.007","0.005","71.573","0.005","982.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O6 -","- C21 H24 N2 O6 -","- C42 H48 N4 O12 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0854","0.0451","","","0.1086","0.128","","","","","","1.011","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155137","8.5073","0.0018","10.502","0.002","11.966","0.003","101.061","0.007","101.512","0.007","93.112","0.007","1023.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O10 -","- C18 H22 N2 O10 -","- C36 H44 N4 O20 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1218","0.0556","","","0.1301","0.1606","","","","","","1.063","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155138","8.6218","0.0014","15.664","0.002","16.949","0.003","77.049","0.005","78.276","0.004","89.931","0.005","2181.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O10 -","- C19 H24 N2 O10 -","- C76 H96 N8 O40 -","4","2","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1215","0.0705","","","0.1796","0.1974","","","","","","1.018","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155139","13.2804","0.0018","12.6107","0.0015","17.7624","0.0019","90","","125.573","0.007","90","","2419.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O10 -","- C24 H26 N2 O10 -","- C96 H104 N8 O40 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1011","0.0496","","","0.1171","0.1464","","","","","","1.081","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155140","10.685","0.002","11.358","0.002","13.19","0.002","74.859","0.006","68.301","0.005","76.133","0.006","1417.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O10 -","- C30 H30 N2 O10 -","- C60 H60 N4 O20 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0921","0.0526","","","0.1138","0.1302","","","","","","1.028","","","","has coordinates,has disorder","185642","2020-10-21","18:00:00",""
"7155141","13.234","0.003","9.2233","0.0016","20.475","0.004","90","","102.781","0.006","90","","2437.3","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O10 -","- C22 H30 N2 O10 -","- C88 H120 N8 O40 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1397","0.0649","","","0.1525","0.1769","","","","","","1.046","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155142","8.6267","0.0014","10.6646","0.0015","11.1642","0.0017","113.847","0.004","92.046","0.005","97.197","0.005","927.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O7 -","- C18 H22 N2 O7 -","- C36 H44 N4 O14 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.095","0.0529","","","0.1261","0.143","","","","","","1.063","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155143","7.1148","0.0017","11.372","0.003","12.653","0.003","110.96","0.007","91.815","0.008","93.31","0.008","952.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Br N2 O6 -","- C18 H19 Br N2 O6 -","- C36 H38 Br2 N4 O12 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0735","0.0552","","","0.1315","0.1398","","","","","","1.085","","","","has coordinates","185642","2020-10-21","18:00:00",""
"7155144","6.2368","0.0003","12.0269","0.0005","12.3293","0.0006","107.207","0.002","92.248","0.002","98.168","0.002","871.22","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 F O4 -","- C22 H15 F O4 -","- C44 H30 F2 O8 -","2","1","","Xie, Yuanwei; Yu, Chenxia; Que, Yonglei; Li, Tuanjie; Wang, Yuhong; Lu, Yinan; Wang, Wenjing; Shen, Shide; Yao, Changsheng","N-Heterocyclic carbene-triggered transition-metal-free synthesis of 2,3-disubstituted benzofuran derivatives.","Organic & biomolecular chemistry","2016","14","27","6463","6469","10.1039/c6ob00363j","","","0.71073","MoKα","","0.1268","0.0946","","","0.3069","0.3526","","","","","","1.338","","","","has coordinates","185644","2020-10-21","18:00:00",""
"7155145","17.926","0.012","14.393","0.01","8.191","0.006","90","","93.891","0.014","90","","2108","3","230","2","230","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H76 -","- C48 H76 -","- C96 H152 -","2","0.5","","Lidster, Benjamin J.; Kumar, Dharam R.; Spring, Andrew M.; Yu, Chin-Yang; Helliwell, Madeleine; Raftery, James; Turner, Michael L.","Alkyl substituted [2.2]paracyclophane-1,9-dienes.","Organic & biomolecular chemistry","2016","14","25","6079","6087","10.1039/c6ob00885b","","","0.71073","MoKα","","0.0719","0.0538","","","0.1449","0.1546","","","","","","0.958","","","","has coordinates","185635","2020-10-21","18:00:00",""
"7155146","10.6209","0.0017","10.0531","0.0016","10.7441","0.0018","90","","97.548","0.004","90","","1137.2","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H28 F N O3 S -","- C23 H28 F N O3 S -","- C46 H56 F2 N2 O6 S2 -","2","1","","Li, Xiang; Li, Ya; Shang, Huaqi","A diastereoselective Mannich-type reaction of α-fluorinated carboxylate esters: synthesis of β-amino acids containing α-quaternary fluorinated carbon centers.","Organic & biomolecular chemistry","2016","14","27","6457","6462","10.1039/c6ob01084a","","","0.71073","MoKα","","0.0586","0.0511","","","0.1168","0.1222","","","","","","1.026","","","","has coordinates,has disorder","185637","2020-10-21","18:00:00",""
"7155147","9.6078","0.0018","18.11","0.004","21.537","0.004","90","","90","","90","","3747.4","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 F N O3 S -","- C17 H26 F N O3 S -","- C136 H208 F8 N8 O24 S8 -","8","2","","Li, Xiang; Li, Ya; Shang, Huaqi","A diastereoselective Mannich-type reaction of α-fluorinated carboxylate esters: synthesis of β-amino acids containing α-quaternary fluorinated carbon centers.","Organic & biomolecular chemistry","2016","14","27","6457","6462","10.1039/c6ob01084a","","","0.71073","MoKα","","0.0808","0.0503","","","0.1103","0.1238","","","","","","0.993","","","","has coordinates","185637","2020-10-21","18:00:00",""
"7155148","9.7273","0.0011","13.2654","0.0014","15.7765","0.0015","90","","97.263","0.004","90","","2019.4","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 S -","- C22 H21 N O5 S -","- C88 H84 N4 O20 S4 -","4","1","","Ramachary, Dhevalapally B.; Krishna, Patoju M.; Reddy, T. Prabhakar","Stereoselective synthesis of cyclopentanone-fused benzosultams through Tomita zipper cyclization.","Organic & biomolecular chemistry","2016","14","27","6413","6416","10.1039/c6ob01096b","","","0.71073","MoKα","","0.069","0.0571","","","0.1463","0.1538","","","","","","1.032","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155149","10.5258","0.0009","11.7582","0.001","14.4254","0.0012","90","","90","","90","","1785.4","0.3","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Cl O3 -","- C24 H15 Cl O3 -","- C96 H60 Cl4 O12 -","4","1","","Jiang, Yu; Fu, Jun-Hao; Li, Tian-Ze; Sha, Feng; Wu, Xin-Yan","Enantioselective direct vinylogous aldol-cyclization cascade reaction between β,γ-unsaturated amides and o-quinones.","Organic & biomolecular chemistry","2016","14","27","6435","6441","10.1039/c6ob00893c","","","0.71073","MoKα","","0.0397","0.0349","","","0.0851","0.0885","","","","","","1.045","","","","has coordinates","185646","2020-10-21","18:00:00",""
"7155150","10.9419","0.0006","24.477","0.0012","11.0478","0.0009","90","","118.723","0.0016","90","","2594.8","0.3","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H26 N4 O7 Ru -","- C28 H26 N4 O7 Ru -","- C112 H104 N16 O28 Ru4 -","4","1","","Yoshida, Ryota; Isozaki, Katsuhiro; Yokoi, Tomoya; Yasuda, Nobuhiro; Sadakane, Koichiro; Iwamoto, Takahiro; Takaya, Hikaru; Nakamura, Masaharu","ONO-pincer ruthenium complex-bound norvaline for efficient catalytic oxidation of methoxybenzenes with hydrogen peroxide.","Organic & biomolecular chemistry","2016","14","31","7468","7479","10.1039/c6ob00969g","","","0.78305","Synchrotron","","0.0612","0.0412","","","0.0848","0.1032","","","","","","1.091","","","","has coordinates,has disorder","185647","2020-10-21","18:00:00",""
"7155151","6.49177","0.00015","15.0859","0.0003","7.43648","0.00019","90","","104.76","0.002","90","","704.25","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2?-N,4?-C-(Aminosulfonylmethylene)thymidine","","- C11 H17 N3 O8 S -","- C11 H17 N3 O8 S -","- C22 H34 N6 O16 S2 -","2","1","","Mitsuoka, Yasunori; Aoyama, Hiroshi; Kugimiya, Akira; Fujimura, Yuko; Yamamoto, Tsuyoshi; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Hari, Yoshiyuki; Obika, Satoshi","Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure.","Organic & biomolecular chemistry","2016","14","27","6531","6538","10.1039/c6ob01051b","","","1.54187","CuKα","","0.0287","0.0272","","","0.0705","0.0723","","","","","","1.071","","","","has coordinates","185638","2020-10-21","18:00:00",""
"7155152","6.4286","0.0003","7.452","0.0003","11.707","0.0005","89.263","0.002","78.416","0.002","84.742","0.002","547.09","0.04","230","2","230","2","","","","","","","","5","P -1","-P 1","2","compound 13; JMS-631-053","7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione","","- C13 H8 N2 O2 S -","- C13 H8 N2 O2 S -","- C26 H16 N4 O4 S2 -","2","1","","Salamoun, Joseph M.; McQueeney, Kelley E.; Patil, Kalyani; Geib, Steven J.; Sharlow, Elizabeth R.; Lazo, John S.; Wipf, Peter","Photooxygenation of an amino-thienopyridone yields a more potent PTP4A3 inhibitor.","Organic & biomolecular chemistry","2016","14","27","6398","6402","10.1039/c6ob00946h","","","1.54178","CuKα","","0.0468","0.0424","","","0.1274","0.1306","","","","","","1.479","","","","has coordinates","185639","2020-10-21","18:00:00",""
"7155153","8.291","0.005","10.918","0.005","22.462","0.005","90","0.005","90","0.005","90","0.005","2033.3","1.6","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-tert-butyl 2-oxo-5-((R)-3-oxo-1-phenyl-3-(pyridin-2-yl)propyl)-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Wang, Zhen-Hua; Wu, Zhi-Jun; Yue, Deng-Feng; You, Yong; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Enantioselective synthesis of chiral α,β-unsaturated γ-substituted butyrolactams by organocatalyzed direct asymmetric vinylogous Michael addition of α,β-unsaturated γ-butyrolactam to 2-enoylpyridines.","Organic & biomolecular chemistry","2016","14","27","6568","6576","10.1039/c6ob01191h","","","1.54184","CuKα","","0.0552","0.0454","","","0.1149","0.1357","","","","","","1.087","","","","has coordinates,has disorder","185640","2020-10-21","18:00:00",""
"7155154","5.891","0.0005","7.7688","0.0006","16.658","0.0014","84.298","0.006","82.177","0.007","84.893","0.006","749.33","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H10 F3 N O2 -","- C19 H10 F3 N O2 -","- C38 H20 F6 N2 O4 -","2","1","","Mishra, Kalpana; Pandey, Ashok Kumar; Singh, Jay Bahadur; Singh, Radhey M.","Metal free TBHP-promoted intramolecular carbonylation of arenes via radical cross-dehydrogenative coupling: synthesis of indenoquinolinones, 4-azafluorenones and fluorenones.","Organic & biomolecular chemistry","2016","14","26","6328","6336","10.1039/c6ob00998k","","","0.71073","MoKα","","0.1308","0.0734","","","0.1927","0.239","","","","","","1.033","","","","has coordinates","185630","2020-10-21","18:00:00",""
"7155155","11.908","0.002","12.416","0.003","13.154","0.003","90","","90","","90","","1944.8","0.7","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O3 S -","- C24 H19 N O3 S -","- C96 H76 N4 O12 S4 -","4","1","","Liang, Zhi-Qin; Wang, Dong-Ling; Zhang, Chun-Lin; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of saccharine-derived dihydropyridinones with cis-selectivity.","Organic & biomolecular chemistry","2016","14","27","6422","6425","10.1039/c6ob01040g","","","0.71073","MoKα","","0.037","0.0357","","","0.0826","0.0838","","","","","","1.075","","","","has coordinates","185641","2020-10-21","18:00:00",""
"7155156","12.1612","0.0018","12.2372","0.0019","14.9998","0.002","90","","111.703","0.004","90","","2074","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C96 H96 N8 O12 -","4","1","","Ramachary, Dhevalapally B.; Prabhakar Reddy, T.; Suresh Kumar, A.","Organocatalytic azomethine imine-olefin click reaction: high-yielding stereoselective synthesis of spiroindane-1,3-dione-pyrazolidinones.","Organic & biomolecular chemistry","2016","14","27","6517","6522","10.1039/c6ob01009a","","","0.71073","MoKα","","0.0799","0.0538","","","0.131","0.142","","","","","","1.056","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155157","4.9002","0.0003","16.6369","0.0009","25.4887","0.0015","90","","90","","90","","2077.9","0.2","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N4 O2 S -","- C24 H20 N4 O2 S -","- C96 H80 N16 O8 S4 -","4","1","","Wang, Yanxin J.; Szantai-Kis, D Miklos; Petersson, E. James","Chemoselective modifications for the traceless ligation of thioamide-containing peptides and proteins.","Organic & biomolecular chemistry","2016","14","26","6262","6269","10.1039/c6ob01020b","","","0.71073","MoKα","","0.0416","0.033","","","0.0693","0.0722","","","","","","1.017","","","","has coordinates","185631","2020-10-21","18:00:00",""
"7155158","11.709","0.006","17.325","0.01","17.761","0.01","105.979","0.008","103.227","0.009","99.347","0.009","3273","3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N5 S Si -","- C30 H39 N5 S Si -","- C120 H156 N20 S4 Si4 -","4","2","","Wang, Baogang; Cui, Xiaoyan; Zhang, Zhiqiang; Chai, Xiaoyun; Ding, Hao; Wu, Qiuye; Guo, Zhongwu; Wang, Ting","A six-membered-ring incorporated Si-rhodamine for imaging of copper(ii) in lysosomes.","Organic & biomolecular chemistry","2016","14","28","6720","6728","10.1039/c6ob00894a","","","0.71073","MoKα","","0.1954","0.153","","","0.3885","0.428","","","","","","1.475","","","","has coordinates","185663","2020-10-21","18:00:00",""
"7155159","7.49844","0.00012","10.97341","0.00019","16.2847","0.0003","90","","90","","90","","1339.96","0.04","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Huang, David; Schuppe, Alexander W.; Liang, Michael Z.; Newhouse, Timothy R.","Scalable procedure for the fragmentation of hydroperoxides mediated by copper and iron tetrafluoroborate salts.","Organic & biomolecular chemistry","2016","14","26","6197","6200","10.1039/c6ob00941g","","","1.54184","CuKα","","0.0252","0.0245","","","0.0626","0.0632","","","","","","1.058","","","","has coordinates,has disorder","185633","2020-10-21","18:00:00",""
"7155160","12.1992","0.0004","9.7061","0.0003","13.4162","0.0004","90","","98.061","0.003","90","","1572.87","0.09","173.15","","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-(2-fluoro-4-methyl-5-(thiophen-3-yl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione","","- C16 H15 B F N O4 S -","- C16 H15 B F N O4 S -","- C64 H60 B4 F4 N4 O16 S4 -","4","1","","Close, Adam J.; Kemmitt, Paul; Mark Roe, S.; Spencer, John","Regioselective routes to orthogonally-substituted aromatic MIDA boronates.","Organic & biomolecular chemistry","2016","14","28","6751","6756","10.1039/c6ob01141a","","x-ray","1.54184","CuKα","","0.0755","0.0645","","","0.1751","0.1846","","","","","","1.062","","","","has coordinates","185662","2020-10-21","18:00:00",""
"7155161","7.2445","0.0003","10.6254","0.0005","12.411","0.0006","90","","90.957","0.005","90","","955.21","0.08","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(5-acetamido-2-bromophenyl)boronic acid","","- C8 H9 B Br N O3 -","- C8 H9 B Br N O3 -","- C32 H36 B4 Br4 N4 O12 -","4","1","","Close, Adam J.; Kemmitt, Paul; Mark Roe, S.; Spencer, John","Regioselective routes to orthogonally-substituted aromatic MIDA boronates.","Organic & biomolecular chemistry","2016","14","28","6751","6756","10.1039/c6ob01141a","","x-ray","1.54184","CuKα","","0.0493","0.0432","","","0.1098","0.1175","","","","","","1.055","","","","has coordinates","185662","2020-10-21","18:00:00",""
"7155162","11.2328","0.0004","8.8504","0.0002","13.6957","0.0004","90","","99.998","0.002","90","","1340.88","0.07","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","5-bromo-2-fluoro-4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzaldehyde","","- C12 H10 B Br F N O5 -","- C12 H10 B Br F N O5 -","- C48 H40 B4 Br4 F4 N4 O20 -","4","1","","Close, Adam J.; Kemmitt, Paul; Mark Roe, S.; Spencer, John","Regioselective routes to orthogonally-substituted aromatic MIDA boronates.","Organic & biomolecular chemistry","2016","14","28","6751","6756","10.1039/c6ob01141a","","x-ray","0.71073","MoKα","","0.047","0.0371","","","0.1018","0.1152","","","","","","1.112","","","","has coordinates","185662","2020-10-21","18:00:00",""
"7155163","10.4496","0.0003","15.6045","0.0005","19.2722","0.0006","104.775","0.002","100.93","0.002","98.868","0.002","2914.84","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Rhodium,chloro-(1,2,3,4,5-pentamethylcyclopentadienyl)phenyl(triphenylphosphine) complex","","- C34 H35 Cl P Rh -","- C34 H35 Cl P Rh -","- C136 H140 Cl4 P4 Rh4 -","4","2","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.111","0.0611","","","0.1183","0.1373","","","","","","1","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155164","10.4383","0.0002","15.6767","0.0004","19.2505","0.0005","104.905","0.002","100.833","0.001","98.753","0.001","2922.39","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Rhodium,bromo-(1,2,3,4,5-pentamethylcyclopentadienyl)phenyl(triphenylphosphine) complex","","- C34 H35 Br P Rh -","- C34 H35 Br P Rh -","- C136 H140 Br4 P4 Rh4 -","4","2","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.1487","0.0825","","","0.2105","0.2502","","","","","","1.003","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155165","8.5942","0.0002","16.888","0.0004","19.6492","0.0004","90","","91.809","0.001","90","","2850.44","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rhodium,dichloro-(1,2,3,4,5-pentamethylcyclopentadienyl)(triphenylphosphine) complex","","- C29 H32 Cl4 P Rh -","- C29 H32 Cl4 P Rh -","- C116 H128 Cl16 P4 Rh4 -","4","1","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.0559","0.0337","","","0.0657","0.075","","","","","","1.001","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155166","9.7693","0.0004","16.4783","0.0007","19.4329","0.0007","90","","90","","90","","3128.3","0.2","296","2","296","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","2-(4-methoxyphenyl)-2-phenyl-, 1-ethyl hydrazinecarboxylic acid ester","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C128 H144 N16 O24 -","8","2","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.1627","0.0681","","","0.1709","0.2424","","","","","","1.005","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155167","23.463","0.005","12.095","0.002","20.499","0.005","90","","96.456","0.007","90","","5780","2","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 N2 O2 -","- C36 H34 N2 O2 -","- C288 H272 N16 O16 -","8","1","","Li, Can; Zhang, Hong-Hao; Fan, Tao; Shen, Yang; Wu, Qiong; Shi, Feng","Brønsted acid-catalyzed regioselective reactions of 2-indolylmethanols with cyclic enaminone and anhydride leading to C3-functionalized indole derivatives.","Organic & biomolecular chemistry","2016","14","29","6932","6936","10.1039/c6ob01282e","","","0.71073","MoKα","","0.1521","0.0784","","","0.2295","0.2948","","","","","","1.033","","","","has coordinates","185655","2020-10-21","18:00:00",""
"7155168","9.861","0.005","10.455","0.005","15.398","0.008","89.66","0.009","76.844","0.009","63.337","0.008","1373","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 N O3 -","- C34 H30 N O3 -","- C68 H60 N2 O6 -","2","1","","Li, Can; Zhang, Hong-Hao; Fan, Tao; Shen, Yang; Wu, Qiong; Shi, Feng","Brønsted acid-catalyzed regioselective reactions of 2-indolylmethanols with cyclic enaminone and anhydride leading to C3-functionalized indole derivatives.","Organic & biomolecular chemistry","2016","14","29","6932","6936","10.1039/c6ob01282e","","","0.71073","MoKα","","0.1495","0.0805","","","0.2057","0.2548","","","","","","0.959","","","","has coordinates","185655","2020-10-21","18:00:00",""
"7155169","9.8932","0.0013","15.009","0.002","21.27","0.003","90","","90","","90","","3158.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F3 N S -","- C17 H16 F3 N S -","- C136 H128 F24 N8 S8 -","8","2","","Zhou, Ji; Zhang, Qian-Fan; Zhao, Wei-Hao; Jiang, Guo-Fang","Chiral phosphoric acid-catalyzed asymmetric transfer hydrogenation of 3-trifluoromethylthioquinolines.","Organic & biomolecular chemistry","2016","14","29","6937","6941","10.1039/c6ob01176d","","","0.71073","MoKα","","0.072","0.0539","","","0.1106","0.1186","","","","","","1.034","","","","has coordinates","185657","2020-10-21","18:00:00",""
"7155170","7.6135","0.0008","13.282","0.002","18.5374","0.0011","90","","90","","90","","1874.5","0.4","291.89","0.1","291.89","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-benzoyl-1-phenyl-1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinolin-2(3H)-one","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","He, Liwenze; Liu, Lin; Han, Runfeng; Zhang, Weiwei; Xie, Xingang; She, Xuegong","Thermal 1,3-dipolar cycloaddition reaction of azomethine imines with active esters.","Organic & biomolecular chemistry","2016","14","28","6757","6761","10.1039/c6ob01095d","","","0.71073","MoKα","","0.1492","0.064","","","0.0989","0.1357","","","","","","0.975","","","","has coordinates","185661","2020-10-21","18:00:00",""
"7155171","8.4952","0.0002","9.1213","0.0002","14.963","0.0003","90","","90","","90","","1159.44","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O S2 -","- C11 H16 O S2 -","- C44 H64 O4 S8 -","4","1","","Diebler, J.; Spannenberg, A.; Werner, T.","Atom economical synthesis of di- and trithiocarbonates by the lithium tert-butoxide catalyzed addition of carbon disulfide to epoxides and thiiranes.","Organic & biomolecular chemistry","2016","14","31","7480","7489","10.1039/c6ob01081d","","","0.71073","MoKα","","0.0245","0.0235","","","0.0625","0.0635","","","","","","1.068","","","","has coordinates","185648","2020-10-21","18:00:00",""
"7155172","15.239","0.004","5.9523","0.0015","16.588","0.004","90","","109.134","0.003","90","","1421.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 5a","","","- C14 H16 N4 O S -","- C14 H16 N4 O S -","- C56 H64 N16 O4 S4 -","4","1","","Boga, Carla; Cino, Silvia; Micheletti, Gabriele; Padovan, Daniele; Prati, Luca; Mazzanti, Andrea; Zanna, Nicola","New azo-decorated N-pyrrolidinylthiazoles: synthesis, properties and an unexpected remote substituent effect transmission.","Organic & biomolecular chemistry","2016","14","29","7061","7068","10.1039/c6ob00994h","","","0.71073","MoKα","","0.0494","0.0393","","","0.1039","0.1124","","","","","","1.025","","","","has coordinates","185656","2020-10-21","18:00:00",""
"7155173","6.0819","0.0003","32.2686","0.0017","7.3498","0.0004","90","","109.852","0.002","90","","1356.71","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 3a","","","- C13 H13 N5 O2 S -","- C13 H13 N5 O2 S -","- C52 H52 N20 O8 S4 -","4","1","","Boga, Carla; Cino, Silvia; Micheletti, Gabriele; Padovan, Daniele; Prati, Luca; Mazzanti, Andrea; Zanna, Nicola","New azo-decorated N-pyrrolidinylthiazoles: synthesis, properties and an unexpected remote substituent effect transmission.","Organic & biomolecular chemistry","2016","14","29","7061","7068","10.1039/c6ob00994h","","","0.71073","MoKα","","0.0477","0.0422","","","0.1223","0.1335","","","","","","1.06","","","","has coordinates","185656","2020-10-21","18:00:00",""
"7155174","8.9502","0.0006","9.1881","0.0005","11.6731","0.0008","83.963","0.006","70.783","0.005","77.642","0.005","884.82","0.1","98","","98","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H23 N -","- C24 H23 N -","- C48 H46 N2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71075","MoKα","","0.0462","0.041","","","0.1063","0.1105","","","","","","1.039","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155175","11.461","0.003","18.171","0.005","7.917","0.002","90","","106.77","0.004","90","","1578.7","0.7","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","2","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71075","MoKα","","0.0341","0.0328","","","0.0803","0.0816","","","","","","1.057","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155176","6.819","0.0012","8.4731","0.0015","17.387","0.003","91.13","0.004","90.978","0.005","96.993","0.004","996.7","0.3","98","","98","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C52 H52 N4 O2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71075","MoKα","","0.0489","0.0448","","","0.1127","0.1168","","","","","","1.029","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155177","9.059","0.002","9.9601","0.0019","11.1789","0.0018","114.934","0.008","101.127","0.013","92.311","0.014","889","0.3","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","(4aR^*^,9aR^*^)-4a,9-diallyl-3-phenyl-4,4a,9,9a-tetrahydro-[1,2]oxazino [6,5-b]indole","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C44 H44 N4 O2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71073","MoKα","","0.0476","0.0438","","","0.0907","0.0931","","","","","","1.019","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155178","9.1842","0.0015","10.542","0.002","11.953","0.002","84.992","0.011","72.078","0.011","74.256","0.011","1059.8","0.3","98","","98","","","","","","","","","5","P -1","-P 1","2","","(4aR,9aR)-6-bromo-4a-ethyl-9-(2-methylbenzyl)-3-phenyl-4,4a,9,9a-tetrahydro-[1,2]oxazino[6,5-b]indole","","- C26 H25 Br N2 O -","- C26 H25 Br N2 O -","- C52 H50 Br2 N4 O2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71073","MoKα","","0.0416","0.0377","","","0.0867","0.0885","","","","","","1.021","","","","has coordinates","185654","2020-10-21","18:00:00",""
"7155179","8.2558","0.0006","10.1328","0.0007","13.9082","0.0011","77.492","0.006","79.13","0.006","85.572","0.006","1114.68","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N4 O3 S -","- C26 H22 N4 O3 S -","- C52 H44 N8 O6 S2 -","2","1","","Ding, Hualong; Peng, Zhixing; Wang, Jinjin; Lu, Ping; Wang, Yanguang","Preparation of 3-azoindoles and 3-hydrazonoindolin-2-imines as well as their applications as NNO pincer ligands for boron.","Organic & biomolecular chemistry","2016","14","29","7114","7118","10.1039/c6ob01247g","","","0.71073","MoKα","","0.0746","0.0505","","","0.1265","0.1446","","","","","","1.031","","","","has coordinates","185658","2020-10-21","18:00:00",""
"7155180","11.8786","0.0008","14.6539","0.0007","14.7921","0.001","90","","112.989","0.008","90","","2370.3","0.3","293","2","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 B F N4 O3 S -","- C26 H20 B F N4 O3 S -","- C104 H80 B4 F4 N16 O12 S4 -","4","1","","Ding, Hualong; Peng, Zhixing; Wang, Jinjin; Lu, Ping; Wang, Yanguang","Preparation of 3-azoindoles and 3-hydrazonoindolin-2-imines as well as their applications as NNO pincer ligands for boron.","Organic & biomolecular chemistry","2016","14","29","7114","7118","10.1039/c6ob01247g","","","0.71073","MoKα","","0.0566","0.0399","","","0.0945","0.1057","","","","","","1.017","","","","has coordinates","185658","2020-10-21","18:00:00",""
"7155181","33.094","0.003","9.7382","0.0007","15.8855","0.0011","90","","96.54","0.007","90","","5086.2","0.7","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N4 O4 S -","- C26 H26 N4 O4 S -","- C208 H208 N32 O32 S8 -","8","1","","Ding, Hualong; Peng, Zhixing; Wang, Jinjin; Lu, Ping; Wang, Yanguang","Preparation of 3-azoindoles and 3-hydrazonoindolin-2-imines as well as their applications as NNO pincer ligands for boron.","Organic & biomolecular chemistry","2016","14","29","7114","7118","10.1039/c6ob01247g","","","0.71073","MoKα","","0.0972","0.0531","","","0.1287","0.1563","","","","","","1.02","","","","has coordinates","185658","2020-10-21","18:00:00",""
"7155182","10.6347","0.0007","5.7454","0.0004","25.1891","0.0015","90","","94.578","0.002","90","","1534.16","0.17","293","2","293","2","","","","","","","man made","5","P 1 21 1","P 2yb","4","no","Dimethyl-2-(1-(4-bromophenyl)allyl)-2-fluoromalonate","","- C14 H14 Br F O4 -","- C14 H14 Br F O4 -","- C56 H56 Br4 F4 O16 -","4","2","","Zhang, Hongbo; Chen, Jiteng; Zhao, Xiao-Ming","Enantioselective synthesis of fluorinated branched allylic compounds via Ir-catalyzed allylations of functionalized fluorinated methylene derivatives.","Organic & biomolecular chemistry","2016","14","30","7183","7186","10.1039/c6ob01246a","","","1.54178","CuKα","","0.0545","0.0519","","","0.1461","0.1493","","","","","","1.056","","","","has coordinates","185625","2020-10-21","18:00:00",""
"7155183","12.5012","0.0006","16.1346","0.0007","7.6541","0.0004","90","","106.967","0.002","90","","1476.65","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methylbenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C64 H72 N8 O4 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0947","0.0561","","","0.1133","0.1272","","","","","","1.092","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155184","10.0466","0.0004","7.7834","0.0003","22.9774","0.001","90","","93.92","0.002","90","","1792.55","0.13","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(piperidin-1-yl)-5-(2,4,5-trimethoxybenzylidene)thiazol-4(5H)-one","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C72 H88 N8 O16 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0614","0.042","","","0.0976","0.1066","","","","","","1.023","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155185","7.303","0.003","16.637","0.005","12.598","0.005","90","","97.725","0.013","90","","1516.8","1","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(3-hydroxy-4-methoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O3 S -","- C16 H18 N2 O3 S -","- C64 H72 N8 O12 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0727","0.0447","","","0.0931","0.1042","","","","","","1.079","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155186","12.7194","0.0004","8.0294","0.0003","16.4422","0.0006","90","","105.304","0.001","90","","1619.68","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-(4-(dimethylamino)benzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C68 H84 N12 O4 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0559","0.0438","","","0.1097","0.1167","","","","","","1.029","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155187","8.5748","0.0003","16.5115","0.0005","10.8532","0.0004","90","","100.922","0.001","90","","1508.79","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-(4-methoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0419","0.0333","","","0.0799","0.0847","","","","","","1.035","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155188","14.6019","0.0006","15.8336","0.0005","7.5085","0.0003","90","","90.141","0.002","90","","1735.96","0.11","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(piperidin-1-yl)-5-(4-propoxybenzylidene)thiazol-4(5H)-one","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.074","0.0472","","","0.109","0.1213","","","","","","1.037","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155189","13.1879","0.0008","8.2959","0.0004","16.8693","0.001","90","","111.933","0.002","90","","1712.01","0.17","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methoxy-2,3-dimethylbenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0573","0.041","","","0.1007","0.1101","","","","","","1.032","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155190","19.808","0.002","19.648","0.002","7.5797","0.0008","90","","95.378","0.004","90","","2936.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(2-methylbenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C128 H144 N16 O8 S8 -","8","2","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.1514","0.0635","","","0.1073","0.1341","","","","","","1.026","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155191","6.9066","0.0006","10.3537","0.001","12.5514","0.0013","96.955","0.004","103.338","0.003","100.576","0.003","845.87","0.14","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","(Z)-5-(2,3-dimethoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C17 H20 N2 O3 S -","- C17 H20 N2 O3 S -","- C34 H40 N4 O6 S2 -","2","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.047","0.0389","","","0.1052","0.1122","","","","","","1.038","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155192","8.3333","0.0006","16.8148","0.0012","10.7927","0.0008","90","","103.96","0.002","90","","1467.64","0.18","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-(benzo[d][1,3]dioxol-4-ylmethylene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.064","0.0403","","","0.0869","0.0959","","","","","","1.088","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155193","19.3839","0.0006","7.788","0.0003","20.9133","0.0008","90","","90","","90","","3157.1","0.2","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Z)-5-(naphthalen-1-ylmethylene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C19 H18 N2 O S -","- C19 H18 N2 O S -","- C152 H144 N16 O8 S8 -","8","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0713","0.0436","","","0.0865","0.0956","","","","","","1.065","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155194","7.958","0.003","9.449","0.003","19.866","0.006","90","","90","","90","","1493.8","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl F O3 -","- C18 H12 Cl F O3 -","- C72 H48 Cl4 F4 O12 -","4","1","","Sha, Wanxing; Zhang, Lijun; Zhang, Wenzhong; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Catalytic cascade aldol-cyclization of tertiary ketone enolates for enantioselective synthesis of keto-esters with a C-F quaternary stereogenic center.","Organic & biomolecular chemistry","2016","14","30","7295","7303","10.1039/c6ob01152g","","","0.71073","MoKα","","0.0787","0.0384","","","0.0688","0.0822","","","","","","0.995","","","","has coordinates","185622","2020-10-21","18:00:00",""
"7155195","4.7369","0.0004","24.686","0.002","12.2902","0.0013","90","","99.492","0.003","90","","1417.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C72 H48 N8 O8 -","4","1","","Üçüncü, Muhammed; Cantürk, Ceren; Karakuş, Erman; Zeybek, Hüseyin; Bozkaya, Uğur; Soydaş, Emine; Şahin, Ertan; Emrullahoğlu, Mustafa","A rare γ-pyranopyrazole skeleton: design, one-pot synthesis and computational study.","Organic & biomolecular chemistry","2016","14","31","7490","7494","10.1039/c6ob01099g","","","0.71073","MoKα","","0.112","0.0457","","","0.1014","0.1289","","","","","","0.998","","","","has coordinates","185652","2020-10-21","18:00:00",""
"7155196","11.82201","0.00013","19.9887","0.0002","23.1114","0.0003","90","","90","","90","","5461.38","0.11","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C240 H368 O24 -","8","2","","Liu, Hong-Xin; Chen, Kai; Yuan, Yao; Xu, Zhi-Fang; Tan, Hai-Bo; Qiu, Sheng-Xiang","Rhodomentones A and B, novel meroterpenoids with unique NMR characteristics from Rhodomyrtus tomentosa.","Organic & biomolecular chemistry","2016","14","30","7354","7360","10.1039/c6ob01215a","","x-ray","1.54184","CuKα","","0.0327","0.0306","","","0.079","0.0812","","","","","","1.009","","","","has coordinates","185623","2020-10-21","18:00:00",""
"7155197","8.9592","0.0004","13.9166","0.0006","14.1101","0.0006","90","","92.4338","0.0013","90","","1757.68","0.13","100","2","99.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O5 S -","- C18 H16 Br N O5 S -","- C72 H64 Br4 N4 O20 S4 -","4","1","","Cronin, Sarah A.; Gutiérrez Collar, Aarón; Gundala, Sivaji; Cornaggia, Claudio; Torrente, Esther; Manoni, Francesco; Botte, Astrid; Twamley, Brendan; Connon, Stephen J.","The first catalytic asymmetric cycloadditions of imines with an enolisable anhydride.","Organic & biomolecular chemistry","2016","14","29","6955","6959","10.1039/c6ob00048g","","x-ray","1.54178","CuKα","","0.0296","0.0288","","","0.0767","0.0773","","","","","","1.072","","","","has coordinates","185659","2020-10-21","18:00:00",""
"7155198","10.5138","0.0001","14.5405","0.0002","19.6851","0.0003","90","","90","","90","","3009.38","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 N P -","- C38 H40 N P -","- C152 H160 N4 P4 -","4","1","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0348","0.0338","","","0.0942","0.095","","","","","","1.022","","","","has coordinates","185651","2020-10-21","18:00:00",""
"7155199","10.6196","0.0001","22.1572","0.0002","26.8016","0.0003","90","","90","","90","","6306.43","0.11","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H40 N P -","- C41 H40 N P -","- C328 H320 N8 P8 -","8","2","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0408","0.0393","","","0.1051","0.1066","","","","","","1.028","","","","has coordinates,has disorder","185651","2020-10-21","18:00:00",""
"7155200","10.5997","0.0003","14.5202","0.0004","21.027","0.0006","90","","90","","90","","3236.26","0.16","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 N P -","- C41 H42 N P -","- C164 H168 N4 P4 -","4","1","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0382","0.0375","","","0.1033","0.1041","","","","","","1.032","","","","has coordinates","185651","2020-10-21","18:00:00",""
"7155201","24.8942","0.0005","24.8942","0.0005","24.8942","0.0005","90","","90","","90","","15427.5","0.5","150","2","150","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H80 N12 O4 -","- C72 H79.9992 N12 O3.9996 -","- C576 H639.994 N96 O31.9968 -","8","0.0833333","","Petryk, M.; Szymkowiak, J.; Gierczyk, B.; Spólnik, G; Popenda, Ł; Janiak, A.; Kwit, M.","Chiral, triformylphenol-derived salen-type [4 + 6] organic cages.","Organic & biomolecular chemistry","2016","14","31","7495","7499","10.1039/c6ob01429a","","","1.54184","CuKα","","0.1114","0.1104","","","0.2882","0.2918","","","","","","1.431","","","","has coordinates","185653","2020-10-21","18:00:00",""
"7155202","9.2519","0.0011","9.9263","0.0012","18.4119","0.0019","90","","90","","90","","1690.9","0.3","125","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Barrios Antúnez, Diego-Javier; Greenhalgh, Mark D.; Fallan, Charlene; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective synthesis of 2,3-disubstituted trans-2,3-dihydrobenzofurans using a Brønsted base/thiourea bifunctional catalyst.","Organic & biomolecular chemistry","2016","14","30","7268","7274","10.1039/c6ob01326k","","","1.54187","CuKα","","0.0264","0.026","","","0.0704","0.0708","","","","","","1.055","","","","has coordinates","185624","2020-10-21","18:00:00",""
"7155203","8.932","0.0015","6.9867","0.0012","27.957","0.005","90","","96.869","0.003","90","","1732.1","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Yuan, Xiaoqian; Wu, Xinxin; Dong, Shupeng; Wu, Guibing; Ye, Jinxing","Brønsted acid cocatalysis in photocatalytic intramolecular coupling of tertiary amines: efficient synthesis of 2-arylindols.","Organic & biomolecular chemistry","2016","14","31","7447","7450","10.1039/c6ob01239f","","","0.71073","MoKα","","0.0566","0.0475","","","0.1348","0.1442","","","","","","1.052","","","","has coordinates","185649","2020-10-21","18:00:00",""
"7155204","9.246","0.004","21.733","0.01","8.69","0.004","90","","99.084","0.006","90","","1724.3","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Yuan, Xiaoqian; Wu, Xinxin; Dong, Shupeng; Wu, Guibing; Ye, Jinxing","Brønsted acid cocatalysis in photocatalytic intramolecular coupling of tertiary amines: efficient synthesis of 2-arylindols.","Organic & biomolecular chemistry","2016","14","31","7447","7450","10.1039/c6ob01239f","","","0.71073","MoKα","","0.0919","0.0553","","","0.1231","0.1342","","","","","","0.931","","","","has coordinates","185649","2020-10-21","18:00:00",""
"7155205","11.7409","0.0003","11.8595","0.0003","11.9319","0.0003","64.089","0.003","82.18","0.002","86.755","0.002","1480.49","0.08","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 O12 S -","- C32 H26 O12 S -","- C64 H52 O24 S2 -","2","1","","Zhao, Xia; Deng, Zhijie; Wei, Aoqi; Li, Boyang; Lu, Kui","Iodine-catalysed regioselective thiolation of flavonoids using sulfonyl hydrazides as sulfenylation reagents.","Organic & biomolecular chemistry","2016","14","30","7304","7312","10.1039/c6ob01006g","","x-ray","1.54184","CuKα","","0.046","0.0414","","","0.1071","0.1125","","","","","","1.051","","","","has coordinates","185626","2020-10-21","18:00:00",""
"7155206","7.0964","0.0005","11.9998","0.0008","14.4434","0.0011","90","","98.551","0.006","90","","1216.26","0.15","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,8-dimethyl-11H-benzo[4,5]imidazo[1,2-a]indol-11-one","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Mai, Shaoyu; Zhao, Yingwei; Song, Qiuling","Chemoselective acylation of benzimidazoles with phenylacetic acids under different Cu catalysts to give fused five-membered N-heterocycles or tertiary amides.","Organic & biomolecular chemistry","2016","14","37","8685","8690","10.1039/c6ob01167e","","","0.71073","MoKα","","0.0793","0.0528","","","0.1149","0.1286","","","","","","1.051","","","","has coordinates","187195","2020-10-21","18:00:00",""
"7155207","7.106","0.006","6.266","0.006","22.6","0.02","90","","96.873","0.014","90","","999.1","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 F N O2 -","- C11 H10 F N O2 -","- C44 H40 F4 N4 O8 -","4","1","","Zhu, Guohao; Qiu, Shineng; Xi, Yang; Ding, Yao; Zhang, Dongming; Zhang, Rong; He, Guangke; Zhu, Hongjun","(IPr)CuF-catalyzed α-site regiocontrolled trans-hydrofluorination of ynamides.","Organic & biomolecular chemistry","2016","14","32","7746","7753","10.1039/c6ob01345g","","","0.71073","MoKα","","0.085","0.0654","","","0.2048","0.224","","","","","","1.067","","","","has coordinates","186489","2020-10-21","18:00:00",""
"7155208","4.9191","0.0002","6.2146","0.0002","13.1151","0.0006","90","","95.211","0.002","90","","399.27","0.03","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","5-bromo-4-fluoro-2-nitrobenzaldehyde","","- C7 H3 Br F N O3 -","- C7 H3 Br F N O3 -","- C14 H6 Br2 F2 N2 O6 -","2","1","","Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John","Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.","Organic & biomolecular chemistry","2016","14","35","8246","8252","10.1039/c6ob01394e","","x-ray","0.71073","MoKα","","0.0709","0.0658","","","0.1519","0.1575","","","","","","1.088","","","","has coordinates","186476","2020-10-21","18:00:00",""
"7155209","10.6934","0.0004","9.7396","0.0003","7.4999","0.0002","90","","96.086","0.002","90","","776.71","0.04","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-bromo-2-fluoro-5-nitrobenzaldehyde","","- C7 H3 Br F N O3 -","- C7 H3 Br F N O3 -","- C28 H12 Br4 F4 N4 O12 -","4","1","","Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John","Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.","Organic & biomolecular chemistry","2016","14","35","8246","8252","10.1039/c6ob01394e","","","0.71073","MoKα","","0.0347","0.0298","","","0.0758","0.0787","","","","","","1.101","","","","has coordinates,has disorder","186476","2020-10-21","18:00:00",""
"7155210","4.7733","0.0002","14.6188","0.0008","11.7159","0.0007","90","","93.404","0.002","90","","816.09","0.07","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","3-bromo-6-fluoro-2-nitrobenzaldehyde","","- C7 H3 Br F N O3 -","- C7 H3 Br F N O3 -","- C28 H12 Br4 F4 N4 O12 -","4","1","","Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John","Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.","Organic & biomolecular chemistry","2016","14","35","8246","8252","10.1039/c6ob01394e","","x-ray","0.71073","MoKα","","0.0454","0.0308","","","0.0637","0.0674","","","","","","1.072","","","","has coordinates","186476","2020-10-21","18:00:00",""
"7155211","7.5275","0.0014","13.374","0.003","15.278","0.003","90","","90","","90","","1538.1","0.5","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O3 -","- C17 H16 Br N O3 -","- C68 H64 Br4 N4 O12 -","4","1","","Stark, Daniel G.; Williamson, Patrick; Gayner, Emma R.; Musolino, Stefania F.; Kerr, Ryan W. F.; Taylor, James E.; Slawin, Alexandra M. Z.; O'Riordan, Timothy J C; Macgregor, Stuart A.; Smith, Andrew D.","Isothiourea-catalysed enantioselective pyrrolizine synthesis: synthetic and computational studies.","Organic & biomolecular chemistry","2016","14","38","8957","8965","10.1039/c6ob01557c","","","0.71075","MoKα","","0.0449","0.0373","","","0.0723","0.074","","","","","","0.918","","","","has coordinates","187175","2020-10-21","18:00:00",""
"7155212","8.0275","0.0014","11.093","0.002","17.321","0.003","90","","90","","90","","1542.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cl N4 O -","- C16 H15 Cl N4 O -","- C64 H60 Cl4 N16 O4 -","4","1","","Chen, Long; Xing, Haotian; Zhang, Huaibin; Jiang, Zhong-Xing; Yang, Zhigang","Copper-catalyzed intermolecular chloroazidation of α,β-unsaturated amides.","Organic & biomolecular chemistry","2016","14","31","7463","7467","10.1039/c6ob01352j","","","0.71073","MoKα","","0.053","0.0404","","","0.0974","0.1061","","","","","","1.034","","","","has coordinates","185650","2020-10-21","18:00:00",""
"7155213","10.8827","0.0002","7.0798","0.0002","15.4121","0.0003","90","","100.53","0.0012","90","","1167.47","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 Br N4 -","- C12 H9 Br N4 -","- C48 H36 Br4 N16 -","4","2","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0621","0.0522","","","0.1052","0.1128","","","","","","1.039","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155214","13.25","0.0007","4.9503","0.0003","15.2995","0.0008","90","","102.893","0.004","90","","978.22","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","0.78201","Synchrotron","","0.1039","0.0546","","","0.1233","0.1866","","","","","","1.153","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155215","13.262","0.005","5.685","0.002","25.48","0.009","90","","101.506","0.001","90","","1882.4","1.2","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Br N4 -","- C24 H17 Br N4 -","- C96 H68 Br4 N16 -","4","1","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0221","0.0215","","","0.0569","0.0575","","","","","","1.061","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155216","18.4725","0.0003","8.3873","0.0001","19.5557","0.0004","90","","90","","90","","3029.85","0.09","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H45 Br Cl N5 O -","- C28 H45 Br Cl N5 O -","- C112 H180 Br4 Cl4 N20 O4 -","4","1","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0436","0.0372","","","0.0987","0.1068","","","","","","1.047","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155217","11.2758","0.0002","13.2794","0.0002","14.0394","0.0003","65.8676","0.0007","83.1022","0.0009","65.9622","0.0007","1749.38","0.06","93","2","93","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H39 Br Cl N7 O0.5 -","- C40 H39 Br Cl N7 O0.5 -","- C80 H78 Br2 Cl2 N14 O -","2","2","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.1079","0.0716","","","0.1647","0.2119","","","","","","1.115","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155218","14.189","0.003","10.9261","0.0018","14.233","0.003","90","","93.14","0.005","90","","2203.2","0.8","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23.5 H16.5 Br Cl1.5 N O3 S -","- C23.5 H16.5 Br Cl1.5 N O3 S -","- C94 H66 Br4 Cl6 N4 O12 S4 -","4","2","","Stark, Daniel G.; Young, Claire M.; O'Riordan, Timothy J C; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective isothiourea-catalysed trans-dihydropyridinone synthesis using saccharin-derived ketimines: scope and limitations.","Organic & biomolecular chemistry","2016","14","34","8068","8073","10.1039/c6ob01473a","","","0.71075","MoKα","","0.0565","0.0465","","","0.1089","0.1125","","","","","","0.918","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7155219","5.3545","0.0014","11.656","0.003","15.876","0.004","90","","90","","90","","990.9","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 Br Cl O -","- C9 H10 Br Cl O -","- C36 H40 Br4 Cl4 O4 -","4","1","","Huang, Wei-Sheng; Chen, Li; Zheng, Zhan-Jiang; Yang, Ke-Fang; Xu, Zheng; Cui, Yu-Ming; Xu, Li-Wen","Catalytic asymmetric bromochlorination of aromatic allylic alcohols promoted by multifunctional Schiff base ligands.","Organic & biomolecular chemistry","2016","14","33","7927","7932","10.1039/c6ob01306f","","","0.71073","MoKα","","0.0316","0.0279","","","0.0666","0.0679","","","","","","1.063","","","","has coordinates","186487","2020-10-21","18:00:00",""
"7155220","9.621","0.003","14.256","0.005","8.097","0.003","90","","111.224","0.005","90","","1035.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C44 H40 N4 O8 S4 -","2","0.5","","Fang, Xinxin; Zhang, Kaifan; Yao, Hequan; Huang, Yue","Cu(i)-Catalyzed oxidative homo-coupling of thiazoline-4-carboxylates: synthesis of 4,4'-bithiazoline derivatives.","Organic & biomolecular chemistry","2016","14","34","8030","8034","10.1039/c6ob01471b","","","0.71073","MoKα","","0.0396","0.0324","","","0.0823","0.0867","","","","","","1.1","","","","has coordinates","186479","2020-10-21","18:00:00",""
"7155221","11.3995","0.0011","15.4075","0.0015","12.3398","0.0012","90","","97.817","0.002","90","","2147.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C88 H80 N8 O16 S8 -","4","1","","Fang, Xinxin; Zhang, Kaifan; Yao, Hequan; Huang, Yue","Cu(i)-Catalyzed oxidative homo-coupling of thiazoline-4-carboxylates: synthesis of 4,4'-bithiazoline derivatives.","Organic & biomolecular chemistry","2016","14","34","8030","8034","10.1039/c6ob01471b","","","0.71073","MoKα","","0.0467","0.0385","","","0.0974","0.1058","","","","","","1.029","","","","has coordinates","186479","2020-10-21","18:00:00",""
"7155222","7.188","0.0002","11.2966","0.0003","15.7477","0.0003","84.309","0.002","86.703","0.002","73.529","0.002","1219.62","0.05","150","0.7","150","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 B Cl O2 -","- C14 H10 B Cl O2 -","- C56 H40 B4 Cl4 O8 -","4","2","","Benhamou, Laure; Walker, Daniel W.; Bučar, Dejan-Krešimir; Aliev, Abil E.; Sheppard, Tom D.","Synthesis of substituted benzooxaborinin-1-ols via palladium-catalysed cyclisation of alkenyl- and alkynyl-boronic acids.","Organic & biomolecular chemistry","2016","14","34","8039","8043","10.1039/c6ob01419d","","x-ray","1.54184","CuKα","","0.0309","0.029","","","0.0776","0.0793","","","","","","1.026","","","","has coordinates","186480","2020-10-21","18:00:00",""
"7155223","9.403","0.0003","10.4777","0.0004","36.3472","0.0012","90","","90","","90","","3581","0.2","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 Cl N O4 S Sn -","- C33 H48 Cl N O4 S Sn -","- C132 H192 Cl4 N4 O16 S4 Sn4 -","4","1","","Kamimura, Akio; Tanaka, Toshiyuki; So, Masahiro; Itaya, Tomoyuki; Matsuda, Kantaro; Kawamoto, Takuji","A regioselective double Stille coupling reaction of bicyclic stannolanes.","Organic & biomolecular chemistry","2016","14","34","8109","8122","10.1039/c6ob01018k","","","0.71075","MoKα","","","0.0308","","","","0.0812","","","","","","1.05","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155224","12.596","0.004","5.504","0.0016","21.414","0.007","90","","100.229","0.004","90","","1461","0.8","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Wei, Simin; Feng, Xiangqing; Du, Haifeng","A metal-free hydrogenation of 3-substituted 2H-1,4-benzoxazines.","Organic & biomolecular chemistry","2016","14","34","8026","8029","10.1039/c6ob01556e","","","0.71073","MoKα","","0.0596","0.0545","","","0.1216","0.1251","","","","","","1.139","","","","has coordinates","186483","2020-10-21","18:00:00",""
"7155225","8.7998","0.0004","13.332","0.0006","12.0001","0.0006","90","","110.314","0.006","90","","1320.28","0.12","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C64 H60 N4 O8 -","2","1","","Evans, Nicholas H.; Gell, Charles E.; Peach, Michael J. G.","The synthesis of a pyridine-N-oxide isophthalamide rotaxane utilizing supplementary amide hydrogen bond interactions.","Organic & biomolecular chemistry","2016","14","33","7972","7981","10.1039/c6ob01435f","","x-ray","1.54184","CuKα","","0.0564","0.0434","","","0.0972","0.104","","","","","","1.059","","","","has coordinates","186488","2020-10-21","18:00:00",""
"7155226","15.0431","0.0003","10.80301","0.00018","29.7705","0.0005","90","","96.8269","0.0017","90","","4803.72","0.15","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H62 Cl3 N5 O8 -","- C48 H62 Cl3 N5 O8 -","- C192 H248 Cl12 N20 O32 -","4","1","","Evans, Nicholas H.; Gell, Charles E.; Peach, Michael J. G.","The synthesis of a pyridine-N-oxide isophthalamide rotaxane utilizing supplementary amide hydrogen bond interactions.","Organic & biomolecular chemistry","2016","14","33","7972","7981","10.1039/c6ob01435f","","x-ray","1.54184","CuKα","","0.0776","0.0692","","","0.2014","0.2091","","","","","","1.074","","","","has coordinates,has disorder","186488","2020-10-21","18:00:00",""
"7155227","8.4388","0.0003","8.4196","0.0002","21.5892","0.0006","90","","99.574","0.002","90","","1512.58","0.08","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 B Br6.13 Cl0.87 F2 N2 -","- C9 B Br6.1257 Cl0.8743 F2 N2 -","- C36 B4 Br24.5028 Cl3.4972 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0435","0.0277","","","0.0533","0.0566","","","","","","1.014","","","","has coordinates","185078","2020-10-21","18:00:00",""
"7155228","8.3531","0.0005","8.5259","0.0005","20.703","0.0015","90","","99.009","0.005","90","","1456.23","0.16","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 B Br4 Cl3 F2 N2 -","- C9 B Br4 Cl3 F2 N2 -","- C36 B4 Br16 Cl12 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0483","0.0297","","","0.0512","0.0548","","","","","","1.03","","","","has coordinates","185078","2020-10-21","18:00:00",""
"7155229","8.775","0.002","9.17","0.003","9.71","0.003","98.378","0.017","106.86","0.02","105.71","0.02","698.2","0.4","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C9 B Br2 Cl5 F2 N2 -","- C9 B Br2 Cl5 F2 N2 -","- C18 B2 Br4 Cl10 F4 N4 -","2","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0443","0.0348","","","0.0822","0.0864","","","","","","1.055","","","","has coordinates","185078","2020-10-21","18:00:00",""
"7155230","12.0397","0.0003","9.5581","0.0002","21.472","0.0005","90","","105.766","0.001","90","","2377.97","0.1","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 B Cl4 F2 N2 -","- C27 H15 B Cl4 F2 N2 -","- C108 H60 B4 Cl16 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0656","0.0386","","","0.0774","0.0861","","","","","","1.006","","","","has coordinates","185078","2020-10-21","18:00:00",""
"7155231","10.0519","0.0009","10.7177","0.0009","11.8528","0.001","102.04","0.004","91.199","0.004","114.33","0.004","1129.73","0.17","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C21 H9 B Cl4 F2 N2 S3 -","- C21 H9 B Cl4 F2 N2 S3 -","- C42 H18 B2 Cl8 F4 N4 S6 -","2","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0497","0.0421","","","0.1253","0.1319","","","","","","1.071","","","","has coordinates,has disorder","185078","2020-10-21","18:00:00",""
"7155232","26.1253","0.001","12.6428","0.0005","18.623","0.0007","90","","91.84","0.002","90","","6147.9","0.4","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H25 B Cl2 F2 N2 -","- C39 H25 B Cl2 F2 N2 -","- C312 H200 B8 Cl16 F16 N16 -","8","2","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","1.54184","CuKα","","0.0597","0.0435","","","0.1065","0.118","","","","","","1.013","","","","has coordinates,has disorder","185078","2020-10-21","18:00:00",""
"7155233","9.911","0.0002","24.3651","0.0005","12.2192","0.0003","90","","110.907","0.001","90","","2756.45","0.11","90","0.5","90","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H15 B Cl2 F2 N2 S5 -","- C29.005 H15 B Cl2 F2 N2 S5.005 -","- C116.02 H60 B4 Cl8 F8 N8 S20.02 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.1278","0.1135","","","0.2844","0.2958","","","","","","1.058","","","","has coordinates,has disorder","185078","2020-10-21","18:00:00",""
"7155234","14.6046","0.0011","18.958","0.0015","23.9068","0.0019","90","","90","","90","","6619.2","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 N3 O3 P -","- C37 H42 N3 O3 P -","- C296 H336 N24 O24 P8 -","8","2","","Yang, Bing; Ji, Xiaozhou; Xue, Yunsheng; Zhang, Haowei; Shen, Minxing; Jiang, Bo; Li, Guigen","Asymmetric aza-Morita-Baylis-Hillman reactions of chiral N-phosphonyl imines with acrylates via GAP chemistry/technology.","Organic & biomolecular chemistry","2016","14","25","6024","6035","10.1039/c6ob00847j","","","0.71073","MoKα","","0.2009","0.0649","","","0.0907","0.1088","","","","","","0.895","","","","has coordinates,has disorder","185079","2020-10-21","18:00:00",""
"7155235","13.9411","0.0012","17.726","0.001","14.8278","0.001","90","","109.535","0.009","90","","3453.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H49 N3 O3 P -","- C33 H49 N3 O3 P -","- C132 H196 N12 O12 P4 -","4","2","","Yang, Bing; Ji, Xiaozhou; Xue, Yunsheng; Zhang, Haowei; Shen, Minxing; Jiang, Bo; Li, Guigen","Asymmetric aza-Morita-Baylis-Hillman reactions of chiral N-phosphonyl imines with acrylates via GAP chemistry/technology.","Organic & biomolecular chemistry","2016","14","25","6024","6035","10.1039/c6ob00847j","","","1.54178","CuKα","","0.1071","0.0858","","","0.2281","0.2522","","","","","","1.038","","","","has coordinates,has disorder","185079","2020-10-21","18:00:00",""
"7155236","13.218","0.002","16.657","0.003","16.344","0.003","90","","92.527","0.003","90","","3595","1.1","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H32 Br N5 O3 -","- C43 H32 Br N5 O3 -","- C172 H128 Br4 N20 O12 -","4","2","","Xie, Jin; Xing, Xiao-Yu; Sha, Feng; Wu, Zhi-Yan; Wu, Xin-Yan","Enantioselective synthesis of spiro[indoline-3,4'-pyrano[2,3-c]pyrazole] derivatives via an organocatalytic asymmetric Michael/cyclization cascade reaction.","Organic & biomolecular chemistry","2016","14","35","8346","8355","10.1039/c6ob01256f","","","0.71073","MoKα","","0.1338","0.0474","","","0.0811","0.1057","","","","","","0.866","","","","has coordinates","186475","2020-10-21","18:00:00",""
"7155237","6.7242","0.0003","15.1813","0.0007","19.2667","0.001","90","","90","","90","","1966.79","0.16","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 -","- C20 H35 N O3 -","- C80 H140 N4 O12 -","4","1","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.0379","0.0337","","","0.0761","0.0784","","","","","","1.049","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155238","11.998","0.003","8.74","0.002","18.751","0.005","90","","104.393","0.006","90","","1904.6","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(14R,16R,E)-16-(tert-butyl)-14-methyl-1-oxa-8-azacyclohexadec-10-ene-2,9-dione","","- C19 H33 N O3 -","- C19 H33 N O3 -","- C76 H132 N4 O12 -","4","2","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.1626","0.0701","","","0.1336","0.1757","","","","","","0.987","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155239","5.615","0.003","10.654","0.005","35.955","0.017","90","","90","","90","","2150.9","1.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,14R,16S,E)-16-(tert-butyl)-3,8,14-trimethyl-1-oxa-8-azacyclohexadec-10-ene-2,9-dione","","- C21 H37 N O3 -","- C21 H37 N O3 -","- C84 H148 N4 O12 -","4","1","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.0617","0.0445","","","0.0607","0.0628","","","","","","1.618","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155240","10.866","0.005","5.196","0.002","18.617","0.01","90","","106.703","0.011","90","","1006.8","0.8","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,6S,7S,8R)-8-Butyl-7-((3,5-dinitrobenzoyl)oxymethyl)bicyclo[4.3.0]non-3-ene","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C42 H52 N4 O12 -","2","1","","Gallantree-Smith, Harrison C; Antonsen, Simen G.; Görbitz, Carl H; Hansen, Trond V.; Nolsøe, Jens M J; Stenstrøm, Yngve H","Total synthesis based on the originally claimed structure of mucosin.","Organic & biomolecular chemistry","2016","14","36","8433","8437","10.1039/c6ob01511e","","","0.71073","MoKα","","0.1009","0.0854","","","0.215","0.2246","","","","","","1.033","","","","has coordinates,has disorder","187190","2020-10-21","18:00:00",""
"7155241","11.2287","0.0003","21.5577","0.0006","7.6682","0.0002","90","","90","","90","","1856.2","0.09","115","2","115","2","","","","","","","","2","P c a 21","P 2c -2ac","29","naphtho[1,2-i]pentahelicene","napthto[1,2-s]picene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M","Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.","Organic & biomolecular chemistry","2016","14","34","8123","8140","10.1039/c6ob01102k","","","0.71073","MoKα","","0.0385","0.0344","","","0.0842","0.0867","","","","","","1.052","","","","has coordinates","186482","2020-10-21","18:00:00",""
"7155242","9.601","0.0012","14.5905","0.0018","20.173","0.003","82.894","0.002","81.824","0.002","77.999","0.002","2723.1","0.6","200","2","200","2","","","","","","","","8","P -1","-P 1","2","(2-aminobiphenyl)(xantphos)palladium(II) mesylate","","","- C55 H51 Cl6 N O4 P2 Pd S -","- C55 H51 Cl6 N O4 P2 Pd S -","- C110 H102 Cl12 N2 O8 P4 Pd2 S2 -","2","1","","Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M","Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.","Organic & biomolecular chemistry","2016","14","34","8123","8140","10.1039/c6ob01102k","","x-ray","0.71073","MoKα","","0.1022","0.0808","","","0.2234","0.2373","","","","","","1.06","","","","has coordinates,has disorder","186482","2020-10-21","18:00:00",""
"7155243","9.8138","0.0001","22.8364","0.0003","9.0937","0.0001","90","","99.9067","0.0007","90","","2007.62","0.04","115","2","115","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-bis(trifluoromethyl)naphtho[1,2-g]chrysene","","- C28 H14 F6 -","- C28 H14 F6 -","- C112 H56 F24 -","4","1","","Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M","Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.","Organic & biomolecular chemistry","2016","14","34","8123","8140","10.1039/c6ob01102k","","x-ray","0.71073","MoKα","","0.0527","0.0346","","","0.0752","0.0826","","","","","","1.011","","","","has coordinates","186482","2020-10-21","18:00:00",""
"7155244","18.6683","0.0005","10.1255","0.0002","18.9205","0.0013","90","","93.979","0.007","90","","3567.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl N2 O -","- C22 H19 Cl N2 O -","- C176 H152 Cl8 N16 O8 -","8","2","","Anderson, James C.; Campbell, Ian B.; Campos, Sebastien; Reid, Iain H.; Rundell, Christopher D.; Shannon, Jonathan; Tizzard, Graham J.","Reductive conjugate addition nitro-Mannich route for the stereoselective synthesis of 1,2,3,4-tetrahydroquinoxalines.","Organic & biomolecular chemistry","2016","14","35","8270","8277","10.1039/c6ob01530a","","","0.71075","MoKα","","0.0522","0.0386","","","0.0866","0.0924","","","","","","1.035","","","","has coordinates","186477","2020-10-21","18:00:00",""
"7155245","4.6505","0.0005","13.4476","0.0013","16.1385","0.0016","90","","90","","90","","1009.27","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 O Se2 -","- C11 H8 O Se2 -","- C44 H32 O4 Se8 -","4","1","","Mondal, Santanu; Mugesh, Govindasamy","Biomimetic deiodination of thyroid hormones and iodothyronamines - a structure-activity relationship study.","Organic & biomolecular chemistry","2016","14","40","9490","9500","10.1039/c6ob01375a","","","0.71073","MoKα","","0.1161","0.0783","","","0.1945","0.2135","","","","","","1.208","","","","has coordinates","188306","2020-10-21","18:00:00",""
"7155246","12.201","0.004","6.3287","0.0016","19.477","0.005","90","","96.736","0.01","90","","1493.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O2 Se2 -","- C15 H17 N O2 Se2 -","- C60 H68 N4 O8 Se8 -","4","1","","Mondal, Santanu; Mugesh, Govindasamy","Biomimetic deiodination of thyroid hormones and iodothyronamines - a structure-activity relationship study.","Organic & biomolecular chemistry","2016","14","40","9490","9500","10.1039/c6ob01375a","","","0.71073","MoKα","","0.1199","0.0512","","","0.0816","0.1005","","","","","","1.07","","","","has coordinates","188306","2020-10-21","18:00:00",""
"7155247","9.8351","0.0006","19.0381","0.0012","20.4995","0.0013","90","","90","","90","","3838.4","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl 1-((2R,3R)-4-methylene-5-oxo-3-phenyltetrahydrofuran-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C192 H144 N16 O32 -","8","1","","Singh, Dharmender; Devi, Nisha; Kumar, Vipin; Malakar, Chandi C.; Mehra, Saloni; Rattan, Sunita; Rawal, Ravindra K.; Singh, Virender","Natural product inspired design and synthesis of β-carboline and γ-lactone based molecular hybrids.","Organic & biomolecular chemistry","2016","14","34","8154","8166","10.1039/c6ob01216g","","","0.71073","MoKα","","0.0844","0.0652","","","0.1571","0.1646","","","","","","1.095","","","","has coordinates","186484","2020-10-21","18:00:00",""
"7155248","9.2919","0.0004","11.041","0.0005","19.247","0.001","90","","100.12","0.0016","90","","1943.86","0.16","304","","304","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H50 Cl3 N5 O8 -","- C30 H50 Cl3 N5 O8 -","- C60 H100 Cl6 N10 O16 -","2","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","0.71073","MoKα","","0.1096","0.0638","","","0.169","0.1975","","","","","","1.019","","","","has coordinates,has disorder","187191","2020-10-21","18:00:00",""
"7155249","10.4185","0.0004","15.6536","0.0006","18.156","0.0008","90","","90","","90","","2961","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 N4 O9 -","- C27 H44 N4 O9 -","- C108 H176 N16 O36 -","4","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","1.54178","CuKα","","0.041","0.0351","","","0.0828","0.0857","","","","","","1.057","","","","has coordinates","187191","2020-10-21","18:00:00",""
"7155250","10.7226","0.0016","10.6558","0.0017","21.682","0.003","90","","91.429","0.005","90","","2476.6","0.6","250","2","250.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H62 N6 O11 -","- C38 H62 N6 O11 -","- C76 H124 N12 O22 -","2","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","0.71073","MoKα","","0.1625","0.0696","","","0.1443","0.1673","","","","","","0.792","","","","has coordinates,has disorder","187191","2020-10-21","18:00:00",""
"7155251","11.8249","0.0004","13.3798","0.0004","13.3981","0.0005","79.783","0.002","77.825","0.002","78.013","0.002","2007.04","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N4 O3 S -","- C19 H24 N4 O3 S -","- C76 H96 N16 O12 S4 -","4","2","","Huang, Qianwen; Zheng, Hanliang; Liu, Shuiyou; Kong, Lichun; Luo, Fang; Zhu, Gangguo","Direct access to 2-amino-5-azidomethylfurans through palladium-catalyzed azidative cycloisomerization of homoallenyl amides.","Organic & biomolecular chemistry","2016","14","36","8557","8563","10.1039/c6ob01491g","","","0.71073","MoKα","","0.068","0.0475","","","0.1226","0.1427","","","","","","1.02","","","","has coordinates","187188","2020-10-21","18:00:00",""
"7155252","26.518","0.014","6.018","0.003","18.911","0.008","90","","134.5","0.02","90","","2153","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 N3 O3 -","- C9 H13 N3 O3 -","- C72 H104 N24 O24 -","8","1","","Shao, Ying; Tong, Jingjing; Zhao, Yanwei; Zheng, Hao; Ma, Liang; Ma, Meihua; Wan, Xiaobing","[3 + 2] cycloaddition and subsequent oxidative dehydrogenation between alkenes and diazo compounds: a simple and direct approach to pyrazoles using TBAI/TBHP.","Organic & biomolecular chemistry","2016","14","36","8486","8492","10.1039/c6ob01522k","","","0.71073","MoKα","","0.1052","0.0656","","","0.1744","0.2175","","","","","","0.982","","","","has coordinates","187189","2020-10-21","18:00:00",""
"7155253","5.168","0.0005","10.0269","0.0012","32.073","0.004","90","","90","","90","","1662","0.3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Br N O4 S -","- C15 H20 Br N O4 S -","- C60 H80 Br4 N4 O16 S4 -","4","1","","Feng, Bo-Xu; Wang, Bin; Li, Xin","Asymmetric additions of thioglycolates and N-Boc aldimines catalyzed by a bifunctional tertiary-amine squaramide.","Organic & biomolecular chemistry","2016","14","39","9206","9209","10.1039/c6ob01645f","","","0.71073","MoKα","","0.0198","0.0186","","","0.0443","0.0444","","","","","","1.024","","","","has coordinates","187181","2020-10-21","18:00:00",""
"7155254","10.4343","0.0004","14.6016","0.0005","13.8826","0.0004","90","","92.748","0.002","90","","2112.69","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br N O5 S -","- C24 H16 Br N O5 S -","- C96 H64 Br4 N4 O20 S4 -","4","1","","Janni, Manojkumar; Arora, Sahil; Peruncheralathan, S.","Double heteroannulation of S,N-acetals: a facile access to quinolone derivatives.","Organic & biomolecular chemistry","2016","14","37","8781","8788","10.1039/c6ob01568a","","","0.71073","MoKα","","0.1298","0.0527","","","0.1234","0.1559","","","","","","1.024","","","","has coordinates","188300","2020-10-21","18:00:00",""
"7155255","5.2728","0.0002","25.33","0.0007","11.4784","0.0004","90","","99.154","0.002","90","","1513.53","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C84 H52 N4 O8 -","4","1","","Janni, Manojkumar; Arora, Sahil; Peruncheralathan, S.","Double heteroannulation of S,N-acetals: a facile access to quinolone derivatives.","Organic & biomolecular chemistry","2016","14","37","8781","8788","10.1039/c6ob01568a","","","0.71073","MoKα","","0.0683","0.0434","","","0.124","0.1494","","","","","","1.083","","","","has coordinates","188300","2020-10-21","18:00:00",""
"7155256","7.4138","0.0004","22.8374","0.001","9.5317","0.0005","90","","97.793","0.004","90","","1598.93","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","0.71073","MoKα","","0.0588","0.0439","","","0.0971","0.1067","","","","","","1.017","","","","has coordinates","188302","2020-10-21","18:00:00",""
"7155257","13.5746","0.0016","6.6256","0.0004","13.5089","0.0016","90","","123.176","0.017","90","","1016.9","0.3","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","0.5","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","0.71073","MoKα","","0.0593","0.0445","","","0.1119","0.1272","","","","","","1.025","","","","has coordinates","188302","2020-10-21","18:00:00",""
"7155258","9.0952","0.0002","37.2652","0.0006","24.0116","0.0005","90","","107.621","0.002","90","","7756.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25.33333 H25 N1.66667 O13 -","- C25.3333 H25 N1.66667 O13 -","- C304 H300 N20 O156 -","12","3","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","0.71073","MoKα","","0.0753","0.0569","","","0.1314","0.1424","","","","","","1.047","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155259","7.6974","0.0005","9.8515","0.0007","10.6292","0.0009","91.428","0.007","93.661","0.007","96.076","0.006","799.45","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O10 S2 -","- C34 H32 N2 O10 S2 -","- C34 H32 N2 O10 S2 -","1","0.5","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","1.5418","CuKα","","0.07","0.0552","","","0.1413","0.1515","","","","","","0.963","","","","has coordinates","188302","2020-10-21","18:00:00",""
"7155260","4.672","0.004","5.359","0.004","67.02","0.05","90","","90","","90","","1678","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O3 -","- C17 H28 O3 -","- C68 H112 O12 -","4","1","","Kuilya, Tapan Kumar; Goswami, Rajib Kumar","Total synthesis of cananginone C and structural revision of debilisone A.","Organic & biomolecular chemistry","2016","14","37","8789","8799","10.1039/c6ob01671e","","","0.71073","MoKα","","0.1322","0.0478","","","0.0595","0.076","","","","","","0.925","","","","has coordinates","188303","2020-10-21","18:00:00",""
"7155261","12.1129","0.00015","10.43581","0.00014","11.94338","0.00015","90","","90.0578","0.0013","90","","1509.74","0.03","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-diethyl ((1R,5S,6S)-2-oxo-6-phenyl-3-oxabicyclo[3.1.0]hexan-1-yl)phosphonate","","- C15 H19 O5 P -","- C15 H19 O5 P -","- C60 H76 O20 P4 -","4","1","","Lloyd, Matthew G.; Taylor, Richard J. K.; Unsworth, William P.","Phosphorylated cyclopropanes in the synthesis of α-alkylidene-γ-butyrolactones: total synthesis of (±)-savinin, (±)-gadain and (±)-peperomin E.","Organic & biomolecular chemistry","2016","14","38","8971","8988","10.1039/c6ob01527a","","x-ray","0.71073","MoKα","","0.0368","0.0328","","","0.0859","0.0886","","","","","","1.08","","","","has coordinates,has disorder","188274","2020-10-21","18:00:00",""
"7155262","7.1086","0.0014","6.9376","0.0014","12.442","0.003","90","","94.573","0.003","90","","611.6","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 Cl O3 -","- C13 H13 Cl O3 -","- C26 H26 Cl2 O6 -","2","1","","Subba Reddy, B. V.; Biradar, Dhanraj O.; Vikram Reddy, Y.; Yadav, J. S.; Singarapu, Kiran Kumar; Sridhar, B.","Substitution dependent stereoselective construction of bicyclic lactones and its application to the total synthesis of pyranopyran, tetraketide and polyrhacitide A.","Organic & biomolecular chemistry","2016","14","37","8832","8837","10.1039/c6ob01686c","","","0.71073","MoKα","","0.0535","0.0418","","","0.0965","0.104","","","","","","1.013","","","","has coordinates","188298","2020-10-21","18:00:00",""
"7155263","8.2425","0.0011","8.4394","0.001","13.236","0.002","90.149","0.011","100.435","0.012","104.134","0.011","877","0.2","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 N2 O S -","- C8 H10 N2 O S -","- C32 H40 N8 O4 S4 -","4","2","","Laborde, Julie; Deraeve, Céline; Duhayon, Carine; Pratviel, Geneviève; Bernardes-Génisson, Vania","Ethionamide biomimetic activation and an unprecedented mechanism for its conversion into active and non-active metabolites.","Organic & biomolecular chemistry","2016","14","37","8848","8858","10.1039/c6ob01561a","","","1.5418","CuKα","","0.0417","0.0354","","0.0428","0.0425","0.0425","","","","","","1.0588","","","","has coordinates","188299","2020-10-21","18:00:00",""
"7155264","13.739","0.005","5.908","0.005","17.319","0.005","90","0.005","91.208","0.005","90","0.005","1405.5","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Kumar, Sonu; Saunthwal, Rakesh K.; Aggarwal, Trapti; Kotla, Siva K Reddy; Verma, Akhilesh K.","Palladium meets copper: one-pot tandem synthesis of pyrido fused heterocycles via Sonogashira conjoined electrophilic cyclization.","Organic & biomolecular chemistry","2016","14","38","9063","9071","10.1039/c6ob01539e","","","0.71073","MoKα","","0.0823","0.0514","","","0.1235","0.1365","","","","","","1.038","","","","has coordinates","188275","2020-10-21","18:00:00",""
"7155265","14.1684","0.0003","6.6657","0.0002","47.1845","0.0014","90","","91.503","0.002","90","","4454.7","0.2","292.87","0.11","292.87","0.11","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C19 H21 I N2 O7 S -","- C19 H21 I N2 O7 S -","- C152 H168 I8 N16 O56 S8 -","8","1","","Beltran, R.; Nocquet-Thibault, S; Blanchard, F.; Dodd, R. H.; Cariou, K.","PIFA-mediated ethoxyiodination of enamides with potassium iodide.","Organic & biomolecular chemistry","2016","14","36","8448","8451","10.1039/c6ob01673a","","x-ray","0.71073","MoKα","","0.0536","0.0377","","","0.0945","0.1027","","","","","","1.061","","","","has coordinates","188282","2020-10-21","18:00:00",""
"7155266","6.7507","0.0004","14.1829","0.0007","43.847","0.003","90","","90","","90","","4198.1","0.4","292.8","0.2","292.8","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H21 I N2 O6 S -","- C18 H21 I N2 O6 S -","- C144 H168 I8 N16 O48 S8 -","8","1","","Beltran, R.; Nocquet-Thibault, S; Blanchard, F.; Dodd, R. H.; Cariou, K.","PIFA-mediated ethoxyiodination of enamides with potassium iodide.","Organic & biomolecular chemistry","2016","14","36","8448","8451","10.1039/c6ob01673a","","x-ray","0.71073","MoKα","","0.1043","0.0597","","","0.165","0.1827","","","","","","1.097","","","","has coordinates,has disorder","188282","2020-10-21","18:00:00",""
"7155267","5.1495","0.0002","9.3429","0.0003","27.7278","0.0008","90","","90","","90","","1334.02","0.08","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-(4-Chlorophenyl)(4-(pentafluorosulfanyl)phenyl)methanol","","- C13 H10 Cl F5 O S -","- C13 H10 Cl F5 O S -","- C52 H40 Cl4 F20 O4 S4 -","4","1","","Desroches, Justine; Tremblay, Ariane; Paquin, Jean-François","Racemic and enantioselective metal-catalyzed synthesis of SF5-containing diarylmethanols.","Organic & biomolecular chemistry","2016","14","37","8764","8780","10.1039/c6ob01663d","","x-ray","1.54178","CuKα","","0.0196","0.0196","","","0.0522","0.0522","","","","","","1.097","","","","has coordinates","188297","2020-10-21","18:00:00",""
"7155268","7.7594","0.0012","19.459","0.003","11.8044","0.0019","90","","106.142","0.002","90","","1712.1","0.5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H18 N2 O5.5 -","- C19.5 H17.5 N2 O5.5 -","- C78 H70 N8 O22 -","4","1","","Jones, Alan M.; Patterson, Stephen; Lorion, Magali M.; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","A core switching strategy to pyrrolo[2,3-b]quinolines and diazocino[1,2-a]indolinones.","Organic & biomolecular chemistry","2016","14","38","8998","9011","10.1039/c6ob01566b","","","0.71073","MoKα","","0.0552","0.0416","","","0.0971","0.1051","","","","","","1.024","","","","has coordinates","211412","2020-10-21","18:00:00",""
"7155269","10.843","0.003","19.28","0.005","11.337","0.004","90","","111.215","0.005","90","","2209.4","1.1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O4 -","- C24 H26 N4 O4 -","- C96 H104 N16 O16 -","4","1","","Jones, Alan M.; Patterson, Stephen; Lorion, Magali M.; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","A core switching strategy to pyrrolo[2,3-b]quinolines and diazocino[1,2-a]indolinones.","Organic & biomolecular chemistry","2016","14","38","8998","9011","10.1039/c6ob01566b","","","0.7107","MoKα","","0.0975","0.0815","","","0.2014","0.2167","","","","","","1.147","","","","has coordinates","187177","2020-10-21","18:00:00",""
"7155270","6.4408","0.0008","16.415","0.002","6.882","0.0007","90","","93.991","0.01","90","","725.84","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-Methyl-1-oxa-7,8-diazaspiro[4.4]nona-3,8-dien-6-one","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","De Crescentini, L.; Perrulli, F. R.; Favi, G.; Santeusanio, S.; Giorgi, G.; Attanasi, O. A.; Mantellini, F.","Reactions of 1,2-diaza-1,3-butadienes with propargyl alcohol as an approach to novel bi-heterocyclic systems.","Organic & biomolecular chemistry","2016","14","37","8674","8678","10.1039/c6ob01595f","","","0.71073","MoKα","","0.0724","0.0473","","","0.0968","0.1132","","","","","","1.038","","","","has coordinates","188301","2020-10-21","18:00:00",""
"7155271","6.5491","0.0005","18.582","0.0013","12.9625","0.0009","90","","93.361","0.001","90","","1574.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-(8-methoxy-4H-benzo[g][1,2,3]triazolo[5,1-c][1,4]oxazocin-11-yl)(phenyl)methanone","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C76 H60 N12 O12 -","4","1","","Sastry, K. N. Visweswara; Routhu, Sunitha Rani; Datta, Soma Gupta; Nagesh, Narayana; Babu, Bathini Nagendra; Nanubolu, Jagadeesh Babu; Kumar, C. Ganesh; Maurya, Ram Awatar; Kamal, Ahmed","Synthesis, DNA binding affinity and anticancer activity of novel 4H-benzo[g][1,2,3]triazolo[5,1-c][1,4]oxazocines.","Organic & biomolecular chemistry","2016","14","39","9294","9305","10.1039/c6ob01077f","","","0.71073","MoKα","","0.0686","0.0625","","","0.1283","0.1315","","","","","","1.237","","","","has coordinates,has disorder","188277","2020-10-21","18:00:00",""
"7155272","9.4858","0.0012","16.647","0.002","20.977","0.002","90","","90","","90","","3312.5","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H31 B N4 O2 -","- C43 H31 B N4 O2 -","- C172 H124 B4 N16 O8 -","4","1","","Brittain, William D. G.; Chapin, Brette M.; Zhai, Wenlei; Lynch, Vincent M.; Buckley, Benjamin R.; Anslyn, Eric V.; Fossey, John S.","The Bull-James assembly as a chiral auxiliary and shift reagent in kinetic resolution of alkyne amines by the CuAAC reaction.","Organic & biomolecular chemistry","2016","14","46","10778","10782","10.1039/c6ob01623e","","","1.54184","CuKα","","0.0326","0.0313","","","0.0819","0.0831","","","","","","1.034","","","","has coordinates","190251","2020-10-21","18:00:00",""
"7155273","17.8575","0.0015","17.3429","0.0016","11.9409","0.0011","90","","104.165","0.002","90","","3585.7","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N3 O2 S -","- C18 H16 Br N3 O2 S -","- C144 H128 Br8 N24 O16 S8 -","8","2","","Fan, Wei; Li, Yan-Rong; Jiang, Bo; Li, Guigen","Cascade bicyclization of triethylammonium thiolates with hydrazines: efficient access to pyrazolo[3,4-c]quinolines.","Organic & biomolecular chemistry","2016","14","38","9080","9087","10.1039/c6ob01728b","","","0.71073","MoKα","","0.0935","0.0393","","","0.0473","0.0505","","","","","","1.077","","","","has coordinates","188276","2020-10-21","18:00:00",""
"7155274","12.8359","0.0008","4.9611","0.0002","26.202","0.0019","90","","97.21","0.006","90","","1655.35","0.17","130","0.2","130","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S,4R,5R)-5-Hydroxy-3-oxo-4-(pent-4-enyl)eicosan-2-yl","","- C33 H56 O5 -","- C33 H56 O5 -","- C66 H112 O10 -","2","1","","van der Peet, Phillip L.; Nagata, Masahiro; Shah, Sayali; White, Jonathan M.; Yamasaki, Sho; Williams, Spencer J.","Lipid structure influences the ability of glucose monocorynomycolate to signal through Mincle.","Organic & biomolecular chemistry","2016","14","39","9267","9277","10.1039/c6ob01781a","","","1.5418","CuKα","","0.0865","0.0658","","","0.1806","0.2006","","","","","","1.006","","","","has coordinates","188279","2020-10-21","18:00:00",""
"7155275","16.385","0.002","13.037","0.002","8.2869","0.0014","90","","103.74","0.006","90","","1719.5","0.4","140","2","140","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O2 S2 -","- C19 H15 N O2 S2 -","- C76 H60 N4 O8 S8 -","4","1","","Kumar, Shailesh; Kadu, Rahul; Kumar, Sangit","Regioselective transition metal- and halogen-free direct dithiolation at C(sp(3))-H of nitrotoluenes with diaryl disulfides.","Organic & biomolecular chemistry","2016","14","39","9210","9214","10.1039/c6ob01856d","","","0.71073","MoKα","","0.0623","0.0381","","","0.076","0.0844","","","","","","1.0511","","","","has coordinates","188280","2020-10-21","18:00:00",""
"7155276","7.6546","0.0008","29.982","0.003","8.7107","0.001","90","","108.845","0.004","90","","1891.9","0.4","187","2","187.23","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Br2 N O2 S2 -","- C19 H13 Br2 N O2 S2 -","- C76 H52 Br8 N4 O8 S8 -","4","1","","Kumar, Shailesh; Kadu, Rahul; Kumar, Sangit","Regioselective transition metal- and halogen-free direct dithiolation at C(sp(3))-H of nitrotoluenes with diaryl disulfides.","Organic & biomolecular chemistry","2016","14","39","9210","9214","10.1039/c6ob01856d","","","0.71073","MoKα","","0.0434","0.0318","","","0.0571","0.0603","","","","","","1.0694","","","","has coordinates","188280","2020-10-21","18:00:00",""
"7155277","13.122","0.006","12.993","0.006","7.922","0.004","90","","103.66","0.012","90","","1312.5","1.1","140","2","140.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C56 H40 N8 O20 -","4","1","","Kumar, Shailesh; Kadu, Rahul; Kumar, Sangit","Regioselective transition metal- and halogen-free direct dithiolation at C(sp(3))-H of nitrotoluenes with diaryl disulfides.","Organic & biomolecular chemistry","2016","14","39","9210","9214","10.1039/c6ob01856d","","","0.71073","MoKα","","0.1293","0.059","","","0.1061","0.1284","","","","","","1.062","","","","has coordinates","188280","2020-10-21","18:00:00",""
"7155278","9.6173","0.0005","9.7573","0.0005","12.8363","0.0007","90","","100.175","0.002","90","","1185.6","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-benzyl-3-hydroxyindolin-2-one","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Chaudhari, Moreshwar Bhagwan; Bisht, Girish Singh; Kumari, Pooja; Gnanaprakasam, Boopathy","Ruthenium-catalyzed direct α-alkylation of amides using alcohols.","Organic & biomolecular chemistry","2016","14","39","9215","9220","10.1039/c6ob01786j","","","1.54178","CuKα","","0.0384","0.0336","","","0.0962","0.103","","","","","","0.659","","","","has coordinates","188278","2020-10-21","18:00:00",""
"7155279","10.952","0.003","11.34","0.004","10.721","0.003","90","","99.771","0.007","90","","1312.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-3-(3-methylbenzyl)indolin-2-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Chaudhari, Moreshwar Bhagwan; Bisht, Girish Singh; Kumari, Pooja; Gnanaprakasam, Boopathy","Ruthenium-catalyzed direct α-alkylation of amides using alcohols.","Organic & biomolecular chemistry","2016","14","39","9215","9220","10.1039/c6ob01786j","","","0.71073","MoKα","","0.0806","0.0469","","","0.1232","0.1432","","","","","","0.933","","","","has coordinates","188278","2020-10-21","18:00:00",""
"7155280","10.743","0.0009","16.6008","0.0014","6.9203","0.0007","90","","100.069","0.005","90","","1215.17","0.19","298","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C52 H36 N4 O20 -","4","1","","Hossian, Asik; Jana, Ranjan","Carboxyl radical-assisted 1,5-aryl migration through Smiles rearrangement.","Organic & biomolecular chemistry","2016","14","41","9768","9779","10.1039/c6ob01758d","","","0.71073","MoKα","","0.0772","0.0468","","","0.1185","0.1364","","","","","","1.052","","","","has coordinates","188285","2020-10-21","18:00:00",""
"7155281","6.4411","0.0005","16.0503","0.0012","30.612","0.003","90","","90","","90","","3164.7","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C160 H128 N16 O24 -","8","1","","Asby, D. J.; Radigois, M. G.; Wilson, D. C.; Cuda, F.; Chai, C. L. L.; Chen, A.; Bienemann, A. S.; Light, M. E.; Harrowven, D. C.; Tavassoli, A.","Triggering apoptosis in cancer cells with an analogue of cribrostatin 6 that elevates intracellular ROS.","Organic & biomolecular chemistry","2016","14","39","9322","9330","10.1039/c6ob01591c","","x-ray","0.71073","MoKα","","0.1353","0.081","","","0.162","0.1865","","","","","","1.075","","","","has coordinates","188281","2020-10-21","18:00:00",""
"7155282","13.0766","0.0003","8.0857","0.0002","14.076","0.0004","90","","90.35","0.002","90","","1488.28","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cl2 O4 -","- C15 H14 Cl2 O4 -","- C60 H56 Cl8 O16 -","4","1","","Zhang, Yan; Tian, Yan; Xiang, Pei; Huang, Ning; Wang, Jianyi; Xu, Jian-Hua; Zhang, Min","A metal-free one-pot synthesis of benzo[c]chromen-6-ones from 3,4-dichlorocoumarins and butadienes using tandem photo-thermal-photo reactions.","Organic & biomolecular chemistry","2016","14","41","9874","9882","10.1039/c6ob01701k","","","0.71073","MoKα","","0.0445","0.0353","","","0.0955","0.1005","","","","","","1.046","","","","has coordinates","188284","2020-10-21","18:00:00",""
"7155283","7.865","0.0011","8.607","0.0011","10.2615","0.0015","92.788","0.006","112.186","0.006","105.046","0.004","612.75","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C30 H22 Br2 O4 -","2","1","","Zhang, Yan; Tian, Yan; Xiang, Pei; Huang, Ning; Wang, Jianyi; Xu, Jian-Hua; Zhang, Min","A metal-free one-pot synthesis of benzo[c]chromen-6-ones from 3,4-dichlorocoumarins and butadienes using tandem photo-thermal-photo reactions.","Organic & biomolecular chemistry","2016","14","41","9874","9882","10.1039/c6ob01701k","","","0.71073","MoKα","","0.0564","0.04","","","0.0997","0.1076","","","","","","1.02","","","","has coordinates","188284","2020-10-21","18:00:00",""
"7155284","9.018","0.002","12.159","0.003","14.878","0.004","107.953","0.002","95.582","0.002","107.978","0.003","1442.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H11 B F3 N2 O1.5 S -","- C14 H11 B F3 N2 O1.5 S -","- C56 H44 B4 F12 N8 O6 S4 -","4","2","","Hiscock, Jennifer R.; Wells, Neil J.; Ede, Jayne A.; Gale, Philip A.; Sambrook, Mark R.","Biasing hydrogen bond donating host systems towards chemical warfare agent recognition.","Organic & biomolecular chemistry","2016","14","40","9560","9567","10.1039/c6ob01210h","","x-ray","0.71075","MoKα","","0.067","0.043","","","0.1081","0.1199","","","","","","0.886","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7155285","17.561","0.006","16.385","0.005","23.157","0.008","90","","103.246","0.005","90","","6486","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 B F6 N3 O -","- C30 H46 B F6 N3 O -","- C240 H368 B8 F48 N24 O8 -","8","2","","Hiscock, Jennifer R.; Wells, Neil J.; Ede, Jayne A.; Gale, Philip A.; Sambrook, Mark R.","Biasing hydrogen bond donating host systems towards chemical warfare agent recognition.","Organic & biomolecular chemistry","2016","14","40","9560","9567","10.1039/c6ob01210h","","x-ray","0.71075","MoKα","","0.1031","0.0763","","","0.2254","0.2461","","","","","","1.082","","","","has coordinates","188305","2020-10-21","18:00:00",""
"7155286","12.0073","0.0004","5.9225","0.0002","13.6415","0.0004","90","","109.584","0.001","90","","913.97","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","K071","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Khan, Ismat Ullah; Kattela, Shivashankar; Hassan, Abbas; Correia, Carlos Roque Duarte","Enantioselective total synthesis of the highly selective sphingosine-1-receptor VPC01091 by the Heck desymmetrization of a non-activated cyclopentene-fused spiro-pyrrolidinone.","Organic & biomolecular chemistry","2016","14","40","9476","9480","10.1039/c6ob01892k","","","1.54178","CuKα","","0.0402","0.0402","","","0.098","0.0981","","","","","","1.089","","","","has coordinates,has disorder","188304","2020-10-21","18:00:00",""
"7155287","5.1845","0.0007","11.6355","0.0015","16.143","0.002","90","","95.867","0.003","90","","968.7","0.2","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Miles-Barrett, Daniel M; Neal, Andrew R.; Hand, Calum; Montgomery, James R. D.; Panovic, Isabella; Ojo, O. Stephen; Lancefield, Christopher S.; Cordes, David B.; Slawin, Alexandra M. Z.; Lebl, Tomas; Westwood, Nicholas J.","The synthesis and analysis of lignin-bound Hibbert ketone structures in technical lignins.","Organic & biomolecular chemistry","2016","14","42","10023","10030","10.1039/c6ob01915c","","","1.54187","CuKα","","0.0396","0.0329","","","0.0928","0.0969","","","","","","1.075","","","","has coordinates","188307","2020-10-21","18:00:00",""
"7155288","7.9885","0.0019","10.68","0.003","12.967","0.003","90","","90.113","0.006","90","","1106.3","0.5","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","1","","Miles-Barrett, Daniel M; Neal, Andrew R.; Hand, Calum; Montgomery, James R. D.; Panovic, Isabella; Ojo, O. Stephen; Lancefield, Christopher S.; Cordes, David B.; Slawin, Alexandra M. Z.; Lebl, Tomas; Westwood, Nicholas J.","The synthesis and analysis of lignin-bound Hibbert ketone structures in technical lignins.","Organic & biomolecular chemistry","2016","14","42","10023","10030","10.1039/c6ob01915c","","","1.54187","CuKα","","0.057","0.0551","","","0.1443","0.1468","","","","","","1.102","","","","has coordinates","188307","2020-10-21","18:00:00",""
"7155289","38.822","0.008","4.592","0.0009","10.705","0.002","90","","99.08","0.03","90","","1884.5","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H24 Cl N3 O2 S -","- C18 H24 Cl N3 O2 S -","- C72 H96 Cl4 N12 O8 S4 -","4","1","","Romashov, Leonid V.; Ananikov, Valentine P.","Synthesis of HIV-1 capsid protein assembly inhibitor (CAP-1) and its analogues based on a biomass approach","Org. Biomol. Chem.","2016","","","","","10.1039/C6OB01731B","","","0.9699","synchrotron","","0.0557","0.0476","","","0.1167","0.1233","","","","","","1.068","","","","has coordinates","186874","2020-10-21","18:00:00",""
"7155290","7.4819","0.0003","12.1332","0.0005","25.226","0.0008","90","","90","","90","","2290","0.15","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Amide ester","","- C25 H26 N2 O6 S -","- C25 H26 N2 O6 S -","- C100 H104 N8 O24 S4 -","4","1","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.7107","MoKα","","0.0538","0.0447","","","0.1018","0.1063","","","","","","1.074","","","","has coordinates","190264","2020-10-21","18:00:00",""
"7155291","9.0934","0.0004","10.9932","0.0004","25.0614","0.0014","90","","90","","90","","2505.3","0.2","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Amine Ester","","- C25 H28 N2 O5 S -","- C25 H28 N2 O5 S -","- C100 H112 N8 O20 S4 -","4","1","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.7107","MoKα","","0.0609","0.051","","","0.128","0.1401","","","","","","1.056","","","","has coordinates","190264","2020-10-21","18:00:00",""
"7155292","14.2702","0.0011","14.2594","0.0007","22.3948","0.0015","90","","90","","90","","4557","0.5","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Aminoalcohol","Aminoalcohol","","- C48 H52 N4 O7 S2 -","- C48 H52 N4 O7 S2 -","- C192 H208 N16 O28 S8 -","4","0.5","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.71073","MoKα","","0.0908","0.0626","","","0.1576","0.1861","","","","","","1.038","","","","has coordinates","190264","2020-10-21","18:00:00",""
"7155293","9.7279","0.0017","11.657","0.002","22.965","0.004","76.436","0.003","80.414","0.003","70.405","0.003","2373.9","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Fluoro-2-(4-(trifluoromethyl)benzamido)phenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl acetate","","- C26 H20 F4 N2 O4 -","- C26 H20 F4 N2 O4 -","- C104 H80 F16 N8 O16 -","4","2","","Ranjith, Jala; Rajesh, Nomula; Sridhar, Balasubramanian; Radha Krishna, Palakodety","Intramolecular oxyacetoxylation of N-allylamides: an expeditious synthesis of oxazolines and oxazines by using a PhI(OAc)2/hydrogen fluoride-pyridine system.","Organic & biomolecular chemistry","2016","14","42","10074","10079","10.1039/c6ob01752e","","","0.71073","MoKα","","0.1051","0.0717","","","0.2042","0.2363","","","","","","1.041","","","","has coordinates,has disorder","188308","2020-10-21","18:00:00",""
"7155294","7.3604","0.0004","9.3854","0.0006","12.8395","0.001","95.461","0.004","101.655","0.004","105.055","0.003","828.57","0.1","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","(2-(2-Benzamidophenyl)-4,5-dihydrooxazol-5-yl)methyl acetate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C38 H36 N4 O8 -","2","1","","Ranjith, Jala; Rajesh, Nomula; Sridhar, Balasubramanian; Radha Krishna, Palakodety","Intramolecular oxyacetoxylation of N-allylamides: an expeditious synthesis of oxazolines and oxazines by using a PhI(OAc)2/hydrogen fluoride-pyridine system.","Organic & biomolecular chemistry","2016","14","42","10074","10079","10.1039/c6ob01752e","","","0.71073","MoKα","","0.1379","0.0723","","","0.1438","0.1703","","","","","","1.029","","","","has coordinates","188308","2020-10-21","18:00:00",""
"7155295","12.3506","0.0005","15.093","0.0006","17.7124","0.0007","90","","100.508","0.002","90","","3246.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 F N2 O4 -","- C39 H35 F N2 O4 -","- C156 H140 F4 N8 O16 -","4","1","","Jia, Shi-Kun; Song, Long-Long; Lei, Yu-Bing; Gopi Krishna Reddy, A.; Xing, Dong; Hu, Wen-Hao","A Rh(ii)-catalyzed three-component reaction of 3-diazooxindoles with N,N-disubstituted anilines and glyoxylates for the synthesis of 3-aryl-3-substituted oxindoles.","Organic & biomolecular chemistry","2016","14","43","10157","10160","10.1039/c6ob01907b","","","0.71073","MoKα","","0.1551","0.0818","","","0.2286","0.2925","","","","","","1.036","","","","has coordinates","188292","2020-10-21","18:00:00",""
"7155296","16.529","0.004","9.1486","0.0018","21.563","0.005","90","","110.685","0.008","90","","3050.5","1.2","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 N6 O7 S2 -","- C25 H38 N6 O9 S2 -","- C100 H152 N24 O36 S8 -","4","1","","Lin, Huacan; Jiang, Yixiang; Hu, Kuan; Zhang, Qingzhou; He, Chuanxin; Wang, Tao; Li, Zigang","An in-tether sulfilimine chiral center induces β-turn conformation in short peptides.","Organic & biomolecular chemistry","2016","14","42","9993","9999","10.1039/c6ob01805j","","","1.54187","CuKα","","","0.1171","","","","0.3475","","","","","","1.948","","","","has coordinates","188310","2020-10-21","18:00:00",""
"7155297","16.529","0.004","9.1486","0.0018","21.563","0.005","90","","110.685","0.008","90","","3050.5","1.2","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 N6 O7 S2 -","- C25 H38 N6 O9 S2 -","- C100 H152 N24 O36 S8 -","4","1","","Lin, Huacan; Jiang, Yixiang; Hu, Kuan; Zhang, Qingzhou; He, Chuanxin; Wang, Tao; Li, Zigang","An in-tether sulfilimine chiral center induces β-turn conformation in short peptides.","Organic & biomolecular chemistry","2016","14","42","9993","9999","10.1039/c6ob01805j","","","1.54187","CuKα","","","0.1171","","","","0.3475","","","","","","1.948","","","","has coordinates","188310","2020-10-21","18:00:00",""
"7155298","10.0376","0.00018","11.6437","0.0002","18.2329","0.0003","90","","90","","90","","2130.97","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N2 O3 P -","- C24 H23 N2 O3 P -","- C96 H92 N8 O12 P4 -","4","1","","Lin, Shaoquan; Kumagai, Naoya; Shibasaki, Masakatsu","Enantioselective synthesis of α,α-disubstituted α-amino acids via direct catalytic asymmetric addition of acetonitrile to α-iminoesters.","Organic & biomolecular chemistry","2016","14","41","9725","9730","10.1039/c6ob01874b","","","1.54187","CuKα","","0.0706","0.0653","","","0.1508","0.1523","","","","","","1.277","","","","has coordinates","188286","2020-10-21","18:00:00",""
"7155299","10.877","0.005","11.117","0.005","11.854","0.005","97.983","0.005","103.313","0.005","94.203","0.005","1373.1","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H24 N2 O2 -","- C39 H24 N2 O2 -","- C78 H48 N4 O4 -","2","1","","Karthik, Shanmugam; Ajantha, Joseph; Nagaraja, C. M.; Easwaramoorthi, Shanmugam; Gandhi, Thirumanavelan","Synthesis and photophysics of extended π-conjugated systems of substituted 10-aryl-pyrenoimidazoles.","Organic & biomolecular chemistry","2016","14","43","10255","10266","10.1039/c6ob01760f","","","0.71073","MoKα","","0.0747","0.0516","","","0.1264","0.1413","","","","","","1.019","","","","has coordinates","188287","2020-10-21","18:00:00",""
"7155300","9.5058","0.001","16.1683","0.0016","17.7882","0.0017","90","","93.27","0.003","90","","2729.5","0.5","0","2","0","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H21 F3 N2 -","- C38 H21 F3 N2 -","- C152 H84 F12 N8 -","4","1","","Karthik, Shanmugam; Ajantha, Joseph; Nagaraja, C. M.; Easwaramoorthi, Shanmugam; Gandhi, Thirumanavelan","Synthesis and photophysics of extended π-conjugated systems of substituted 10-aryl-pyrenoimidazoles.","Organic & biomolecular chemistry","2016","14","43","10255","10266","10.1039/c6ob01760f","","","0.71073","MoKα","","0.099","0.0621","","","0.1757","0.1944","","","","","","1.289","","","","has coordinates","188287","2020-10-21","18:00:00",""
"7155301","19.5798","0.0005","10.5855","0.0002","30.2255","0.0008","90","","100.449","0.002","90","","6160.7","0.3","140","2","140","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C56 H82 Cl4 O14 -","- C56 H82 Cl4 O14 -","- C224 H328 Cl16 O56 -","4","0.5","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.0508","0.0383","","","0.0933","0.0993","","","","","","1.027","","","","has coordinates","188291","2020-10-21","18:00:00",""
"7155302","11.519","0.0003","12.8094","0.0005","15.5844","0.0004","79.044","0.003","77.462","0.002","71.732","0.003","2112.99","0.12","140","2","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C39.5 H52 Cl4 O15.5 -","- C38 H45.5 Cl4 O15.3 -","- C76 H91 Cl8 O30.6 -","2","1","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.1377","0.0743","","","0.191","0.2403","","","","","","1.041","","","","has coordinates,has disorder","188291","2020-10-21","18:00:00",""
"7155303","13.6713","0.0005","13.6859","0.0004","15.8507","0.0005","87.748","0.003","71.565","0.003","84.007","0.003","2798.1","0.17","140","2","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H80 Cl4 O15 -","- C49.1 H58.15 Cl4 O14.55 -","- C98.2 H116.3 Cl8 O29.1 -","2","1","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.0953","0.0671","","","0.1565","0.1718","","","","","","1.046","","","","has coordinates,has disorder","188291","2020-10-21","18:00:00",""
"7155304","12.3214","0.0006","11.6802","0.0005","15.2837","0.0006","90","","107.433","0.004","90","","2098.54","0.17","140","2","140","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 O5 -","- C24 H22 Cl2 O5 -","- C96 H88 Cl8 O20 -","4","1","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.0584","0.0382","","","0.0776","0.0832","","","","","","1.028","","","","has coordinates","188291","2020-10-21","18:00:00",""
"7155305","11.799","0.008","10.489","0.006","17.066","0.012","90","","105.461","0.012","90","","2036","2","150","2","150","2","","","","","","","NO","4","P 1 21/c 1","-P 2ybc","14","Fused Indeno Pyridine","1-(1-phenyl-3-p-tolyl-1H-indeno[2,1-c]pyridin-2(9H)-yl)ethanone","","- C27 H23 N O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","1","","Fathimath Salfeena, C. T.; Ashitha, K. T.; Sasidhar, B. S.","BF3·Et2O mediated one-step synthesis of N-substituted-1,2-dihydropyridines, indenopyridines and 5,6-dihydroisoquinolines.","Organic & biomolecular chemistry","2016","14","43","10165","10169","10.1039/c6ob02133f","","","0.71073","MoKα","","0.1002","0.0577","","","0.1312","0.151","","","","","","0.731","","","","has coordinates","188296","2020-10-21","18:00:00",""
"7155306","12.523","0.013","9.952","0.01","16.598","0.018","90","","107.466","0.016","90","","1973","4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2,4-diphenyl-6-(p-tolyl)pyridin-1(2H)-yl)ethanone","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Fathimath Salfeena, C. T.; Ashitha, K. T.; Sasidhar, B. S.","BF3·Et2O mediated one-step synthesis of N-substituted-1,2-dihydropyridines, indenopyridines and 5,6-dihydroisoquinolines.","Organic & biomolecular chemistry","2016","14","43","10165","10169","10.1039/c6ob02133f","","","0.71073","MoKα","","0.1085","0.0714","","","0.1708","0.1943","","","","","","0.655","","","","has coordinates","188296","2020-10-21","18:00:00",""
"7155307","13.729","0.002","8.3619","0.0009","14.594","0.003","90","","114.96","0.02","90","","1518.9","0.5","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H55 N O Se -","- C35 H55 N O Se -","- C70 H110 N2 O2 Se2 -","2","1","","Sidoryk, Katarzyna; Rárová, Lucie; Oklešťková, Jana; Pakulski, Zbigniew; Strnad, Miroslav; Cmoch, Piotr; Luboradzki, Roman","Synthesis of 28a-homoselenolupanes and 28a-homoselenolupane saponins.","Organic & biomolecular chemistry","2016","14","43","10238","10248","10.1039/c6ob01938b","","","1.54184","CuKα","","0.1157","0.0895","","","0.228","0.2644","","","","","","1.046","","","","has coordinates","188293","2020-10-21","18:00:00",""
"7155308","8.0194","0.0005","16.8849","0.0011","20.7855","0.0013","90","","90","","90","","2814.5","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Cl3 N2 O3 S -","- C31 H23 Cl3 N2 O3 S -","- C124 H92 Cl12 N8 O12 S4 -","4","1","","Kayal, Satavisha; Mukherjee, Santanu","Catalytic enantioselective cascade Michael/cyclization reaction of 3-isothiocyanato oxindoles with exocyclic α,β-unsaturated ketones en route to 3,2'-pyrrolidinyl bispirooxindoles.","Organic & biomolecular chemistry","2016","14","43","10175","10179","10.1039/c6ob02187e","","","0.71073","MoKα","","0.0386","0.0325","","","0.0683","0.0705","","","","","","1.083","","","","has coordinates","188288","2020-10-21","18:00:00",""
"7155309","10.4127","0.0004","10.9678","0.0004","12.8544","0.0005","81.329","0.002","89.605","0.002","65.632","0.001","1319.47","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C68 H62 N2 O8 -","2","1","","Alajarin, Mateo; Egea, Adrian; Orenes, Raul-Angel; Vidal, Angel","Lewis acid catalyzed [3 + 2] annulation of ketenimines with donor-acceptor cyclopropanes: an approach to 2-alkylidenepyrrolidine derivatives.","Organic & biomolecular chemistry","2016","14","43","10275","10284","10.1039/c6ob02005d","","","1.54178","CuKα","","0.05","0.0429","","","0.1085","0.1143","","","","","","1.055","","","","has coordinates","188290","2020-10-21","18:00:00",""
"7155310","10.8601","0.0016","56.18","0.008","10.8603","0.0016","90","","114.63","0.001","90","","6023.2","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H35 N O6 -","- C37 H35 N O6 -","- C296 H280 N8 O48 -","8","4","","Alajarin, Mateo; Egea, Adrian; Orenes, Raul-Angel; Vidal, Angel","Lewis acid catalyzed [3 + 2] annulation of ketenimines with donor-acceptor cyclopropanes: an approach to 2-alkylidenepyrrolidine derivatives.","Organic & biomolecular chemistry","2016","14","43","10275","10284","10.1039/c6ob02005d","","","1.54178","CuKα","","0.0312","0.0309","","","0.0783","0.0786","","","","","","1.074","","","","has coordinates","188290","2020-10-21","18:00:00",""
"7155311","12.1869","0.0005","14.43","0.0006","12.8949","0.0005","90","","115.941","0.0017","90","","2039.18","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Butyl 5-(2-hydroxybenzoyl)-2-(phenylamino)nicotinate","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","","Baral, Ek Raj; Sharma, Kavita; Akhtar, Muhammad Saeed; Lee, Yong Rok","A catalyst- and solvent-free thermal multicomponent approach for the construction of diverse and polysubstituted 2-aminopyridines and their antibacterial activity.","Organic & biomolecular chemistry","2016","14","43","10285","10297","10.1039/c6ob02015a","","","0.71073","MoKα","","0.0866","0.0471","","","0.1063","0.1242","","","","","","1.024","","","","has coordinates","188295","2020-10-21","18:00:00",""
"7155312","4.7439","0.0008","16.18","0.003","18.262","0.003","90","","90","","90","","1401.7","0.4","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Cl N2 O -","- C16 H13 Cl N2 O -","- C64 H52 Cl4 N8 O4 -","4","1","","Zhou, Hui; Deng, Xin Zhao; Zhang, Ai Hua; Tan, Ren Xiang","Visible-light-promoted synthesis of phenanthridines via an intermolecular isocyanide insertion reaction.","Organic & biomolecular chemistry","2016","14","44","10407","10414","10.1039/c6ob02113a","","","0.71073","MoKα","","0.1181","0.0446","","","0.0903","0.1179","","","","","","1.003","","","","has coordinates","190259","2020-10-21","18:00:00",""
"7155313","8.2579","0.0005","16.2062","0.001","21.6169","0.0013","90","","90","","90","","2893","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cl N2 O -","- C18 H15 Cl N2 O -","- C144 H120 Cl8 N16 O8 -","8","1","","Zhou, Hui; Deng, Xin Zhao; Zhang, Ai Hua; Tan, Ren Xiang","Visible-light-promoted synthesis of phenanthridines via an intermolecular isocyanide insertion reaction.","Organic & biomolecular chemistry","2016","14","44","10407","10414","10.1039/c6ob02113a","","","1.54178","CuKα","","0.0679","0.0384","","","0.1133","0.1207","","","","","","1.05","","","","has coordinates","190259","2020-10-21","18:00:00",""
"7155314","11.819","0.005","10.742","0.003","12.543","0.005","90","","113.26","0.005","90","","1463","0.9","103.15","","103.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","1","","Tanabe, Junki; Taura, Daisuke; Ousaka, Naoki; Yashima, Eiji","Remarkable acceleration of template-directed photodimerisation of 9-phenylethynylanthracene derivatives assisted by complementary salt bridge formation.","Organic & biomolecular chemistry","2016","14","46","10822","10832","10.1039/c6ob02087a","","","0.71075","MoKα","","0.0694","0.0603","","","0.134","0.1403","","","","","","1.122","","","","has coordinates","190254","2020-10-21","18:00:00",""
"7155315","10.616","0.004","18.469","0.007","15.306","0.006","90","","100.612","0.007","90","","2950","2","103.15","","103.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 -","- C44 H28 -","- C176 H112 -","4","1","","Tanabe, Junki; Taura, Daisuke; Ousaka, Naoki; Yashima, Eiji","Remarkable acceleration of template-directed photodimerisation of 9-phenylethynylanthracene derivatives assisted by complementary salt bridge formation.","Organic & biomolecular chemistry","2016","14","46","10822","10832","10.1039/c6ob02087a","","","0.71075","MoKα","","0.0516","0.0491","","","0.1214","0.1236","","","","","","1.072","","","","has coordinates","190254","2020-10-21","18:00:00",""
"7155316","25.813","0.005","19.94","0.004","27.557","0.006","90","","101.78","0.03","90","","13885","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H80 F12 N10 O8 P2 -","- C126 H80 F12 N10 O8 P2 -","- C504 H320 F48 N40 O32 P8 -","4","1","","Wang, Han-Xiao; Hu, Shu-Zhen; Shi, Qiang; Chen, Chuan-Feng","Complexation between a triptycene-derived oxacalixarene and π-extended viologens: linker-length-dependent orientation of the macrocycles in pseudo[3]rotaxanes.","Organic & biomolecular chemistry","2016","14","44","10481","10488","10.1039/c6ob02093c","","","0.71073","MoKα","","0.1595","0.1101","","","0.2757","0.3004","","","","","","1.334","","","","has coordinates","190265","2020-10-21","18:00:00",""
"7155317","31.334","0.004","31.334","0.004","27.064","0.004","90","","90","","120","","23012","5","173.15","","173.15","","","","","","","","","6","R -3","-R 3","148","","","","- C128 H82 F12 N10 O8 P2 -","- C128 H82 F12 N10 O8 P2 -","- C1152 H738 F108 N90 O72 P18 -","9","","","Wang, Han-Xiao; Hu, Shu-Zhen; Shi, Qiang; Chen, Chuan-Feng","Complexation between a triptycene-derived oxacalixarene and π-extended viologens: linker-length-dependent orientation of the macrocycles in pseudo[3]rotaxanes.","Organic & biomolecular chemistry","2016","14","44","10481","10488","10.1039/c6ob02093c","","","0.71073","MoKα","","0.1172","0.1049","","","0.2751","0.2806","","","","","","1.731","","","","has coordinates","190265","2020-10-21","18:00:00",""
"7155318","8.4221","0.0003","9.777","0.0003","11.8865","0.0004","101.423","0.001","98.231","0.001","110.96","0.001","871.07","0.05","290","2","290","2","","","","","","","","4","P 1","P 1","1","butyl iodo methylphenanthren yl selane","butyl(10- iodo-7- methylphenanthren-9- yl) selane","","- C19 H19 I Se -","- C19 H19 I Se -","- C38 H38 I2 Se2 -","2","2","","Grimaldi, Tamiris B.; Lutz, Guilherme; Back, Davi F.; Zeni, Gilson","(Biphenyl-2-alkyne) derivatives as common precursors for the synthesis of 9-iodo-10-organochalcogen-phenanthrenes and 9-organochalcogen-phenanthrenes.","Organic & biomolecular chemistry","2016","14","44","10415","10426","10.1039/c6ob01807f","","","0.71073","MoKα","","0.052","0.036","","","0.0847","0.0919","","","","","","1.025","","","","has coordinates","190262","2020-10-21","18:00:00",""
"7155319","8.473","0.002","19.517","0.004","7.043","0.002","90","","102.04","0.03","90","","1139.1","0.5","293.2","","293.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br N2 O -","- C12 H11 Br N2 O -","- C48 H44 Br4 N8 O4 -","4","1","","Wang, Ying; Wang, Yang; Jiang, Kai; Zhang, Qian; Li, Dong","Transition-metal-free oxidative C5 C-H-halogenation of 8-aminoquinoline amides using sodium halides.","Organic & biomolecular chemistry","2016","14","43","10180","10184","10.1039/c6ob02079h","","","1.54056","CuKa","","0.0594","0.0432","","","0.0964","0.1026","","","","","","1.054","","","","has coordinates","188294","2020-10-21","18:00:00",""
"7155320","10.5659","0.0003","13.366","0.0004","20.8146","0.0004","84.956","0.002","76.05","0.002","77.06","0.002","2778.58","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 N4 O S -","- C33 H28 N4 O S -","- C132 H112 N16 O4 S4 -","4","2","","Grolleau, Jérémie; Gohier, Frédéric; Cabanetos, Clément; Allain, Magali; Legoupy, Stéphanie; Frère, Pierre","Syntheses via a direct arylation method of push-pull molecules based on triphenylamine and 3-cyano-4-hexyloxythiophene moieties.","Organic & biomolecular chemistry","2016","14","44","10516","10522","10.1039/c6ob02036d","","x-ray","1.54184","CuKα","","0.0653","0.0538","","","0.1434","0.1554","","","","","","1.074","","","","has coordinates","190263","2020-10-21","18:00:00",""
"7155321","7.367","0.0003","12.1881","0.0003","21.7372","0.0005","90","","90","","90","","1951.78","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,1R,6R)-tert-butyl 6'-chloro-2'-oxo-6,6a-dihydro-1H-spiro[cyclopropa[a]indene-1,3'-indoline]-1'-carboxylate","","- C22 H19 Cl N O3 -","- C22 H19 Cl N O3 -","- C88 H76 Cl4 N4 O12 -","4","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","1.54184","CuKα","","0.0577","0.0474","","","0.1366","0.1482","","","","","","1.066","","","","has coordinates,has disorder","190260","2020-10-21","18:00:00",""
"7155322","11.3609","0.0003","11.3606","0.0003","14.5605","0.0004","90","","90","","90","","1879.27","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C84 H80 Cl4 N4 O12 -","4","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","1.54184","CuKα","","0.0512","0.0478","","","0.1311","0.1361","","","","","","1.042","","","","has coordinates","190260","2020-10-21","18:00:00",""
"7155323","9.033","0.0005","9.8048","0.0007","12.0153","0.0007","90","","90.156","0.005","90","","1064.15","0.11","223","0.1","223","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C46 H48 Cl2 N2 O8 -","2","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","0.71073","MoKα","","0.0427","0.0362","","","0.0822","0.0857","","","","","","1.048","","","","has coordinates","190260","2020-10-21","18:00:00",""
"7155324","9.8675","0.0005","10.2949","0.0005","11.0351","0.0006","117.594","0.005","105.751","0.005","97.854","0.004","909.82","0.11","300","","300","","","","","","","","","4","P -1","-P 1","2","","13-(tert-butylamino)-5,6-dihydropyrido[2',1':2,3]imidazo[5,1-a]isoquinolin-7-ium bromide","","- C19 H22 Br N3 -","- C19 H22 Br N3 -","- C38 H44 Br2 N6 -","2","1","","Sagar, A.; Nagarjuna Babu, Venkata; Shinde, Anand H.; Sharada, Duddu S.","A metal-free cyclic iminium induced one-pot double annulation cascade: access to dihydroisoquinolinium (DHIQ) salts.","Organic & biomolecular chemistry","2016","14","44","10366","10370","10.1039/c6ob02089e","","x-ray","1.54184","CuKα","","0.0396","0.0354","","","0.0904","0.0939","","","","","","1.05","","","","has coordinates","190261","2020-10-21","18:00:00",""
"7155325","7.3024","0.0006","8.6519","0.0008","8.9513","0.0006","77.266","0.002","86.338","0.002","88.215","0.002","550.42","0.08","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C24 H36 O6 -","2","1","","Vayer, Marie; Fang, Weizhen; Guillot, Régis; Bezzenine-Lafollée, Sophie; Bour, Christophe; Gandon, Vincent","Acid-catalysed intramolecular addition of β-ketoesters to 1,3-dienes.","Organic & biomolecular chemistry","2017","15","3","584","588","10.1039/c6ob02122k","","x-ray","0.71073","MoKα","","0.0661","0.0429","","","0.1016","0.1137","","","","","","1.01","","","","has coordinates","191746","2020-10-21","18:00:00",""
"7155326","5.704","0.002","6.297","0.003","18.887","0.009","93.901","0.011","95.455","0.01","106.13","0.01","645.6","0.5","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C28 H44 O6 -","2","1","","Vayer, Marie; Fang, Weizhen; Guillot, Régis; Bezzenine-Lafollée, Sophie; Bour, Christophe; Gandon, Vincent","Acid-catalysed intramolecular addition of β-ketoesters to 1,3-dienes.","Organic & biomolecular chemistry","2017","15","3","584","588","10.1039/c6ob02122k","","","0.71073","MoKα","","0.1448","0.0788","","","0.1943","0.2402","","","","","","0.989","","","","has coordinates","191746","2020-10-21","18:00:00",""
"7155327","8.3983","0.0004","14.6292","0.0006","16.7263","0.0008","92.703","0.003","101.462","0.003","104.534","0.003","1939.34","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[2^3^-<i>tert</i>-Butyl-8,12,13,17-tetraethyl-7,18-dimethyl-21-oxyazuliporphyrin chloroform solvate","","- C42 H47 Cl6 N3 O -","- C41 H46 Cl3 N3 O -","- C82 H92 Cl6 N6 O2 -","2","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Regioselective oxidation and metalation of meso-unsubstituted azuliporphyrins.","Organic & biomolecular chemistry","2016","14","44","10523","10533","10.1039/c6ob02052f","","x-ray","0.71073","MoKα","","0.1149","0.0586","","","","0.1483","","","","","","1.015","","","","has coordinates,has disorder","190266","2020-10-21","18:00:00",""
"7155328","12.6923","0.0007","13.2018","0.0007","13.612","0.0008","64.986","0.003","62.582","0.003","86.745","0.003","1807.56","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[2^3^-<i>tert</i>-Butyl-8,12,13,17-tetraethyl-7,18-dimethyl-21-oxyazuliporphyrinato]copper(ii) chloroform solvate","","- C41 H44 Cl3 Cu N3 O -","- C41 H44 Cl3 Cu N3 O -","- C82 H88 Cl6 Cu2 N6 O2 -","2","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Regioselective oxidation and metalation of meso-unsubstituted azuliporphyrins.","Organic & biomolecular chemistry","2016","14","44","10523","10533","10.1039/c6ob02052f","","x-ray","0.71073","MoKα","","0.0473","0.0338","","","","0.0824","","","","","","1.022","","","","has coordinates","190266","2020-10-21","18:00:00",""
"7155329","11.5534","0.0007","12.889","0.0008","13.1228","0.0008","94.893","0.004","114.886","0.003","110.418","0.003","1598.2","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[2^3^-<i>tert</i>-Butyl-8,12,13,17-tetraethyl-7,18-dimethyl-21-oxyazuliporphyrinato]palladium(ii)","","- C40 H43 N3 O Pd -","- C40 H43 N3 O Pd -","- C80 H86 N6 O2 Pd2 -","2","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Regioselective oxidation and metalation of meso-unsubstituted azuliporphyrins.","Organic & biomolecular chemistry","2016","14","44","10523","10533","10.1039/c6ob02052f","","x-ray","0.71073","MoKα","","0.0538","0.038","","","","0.0957","","","","","","1.068","","","","has coordinates,has disorder","190266","2020-10-21","18:00:00",""
"7155330","8.3457","0.0012","8.8632","0.0014","15.254","0.002","87.065","0.004","88.132","0.005","68.586","0.004","1048.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 B F2 N2 O2 -","- C24 H27 B F2 N2 O2 -","- C48 H54 B2 F4 N4 O4 -","2","1","","Das, Debasis; Adhikari, Susanta; Ghosh, Avijit; Mandal, Sandip; Guria, Subhajit; Banerjee, Prajna Paramita; Chattopadhyay, Ansuman","Colorimetric and fluorescence probe for detection of nano molar lysine in aqueous medium","Org. Biomol. Chem.","2016","","","","","10.1039/C6OB01704E","","","0.71073","MoKα","","0.0944","0.0582","","","0.1469","0.169","","","","","","0.968","","","","has coordinates","187449","2020-10-21","18:00:00",""
"7155331","10.3562","0.0019","14.494","0.003","10.9559","0.0019","90","","98.598","0.003","90","","1626","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Li, Jiawen; Qin, Guiping; Huang, Hanmin","Silver-catalyzed nucleophilic substitution of aminals with ethyl diazoacetate: a new pathway to β-amino-α-diazoesters.","Organic & biomolecular chemistry","2016","14","45","10572","10575","10.1039/c6ob02136k","","","0.71073","MoKα","","0.0923","0.0518","","","0.1161","0.1361","","","","","","0.996","","","","has coordinates","190258","2020-10-21","18:00:00",""
"7155332","10.309","0.005","14.264","0.007","10.935","0.005","90","","98.732","0.008","90","","1589.3","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cl N3 O3 -","- C15 H18 Cl N3 O3 -","- C60 H72 Cl4 N12 O12 -","4","1","","Li, Jiawen; Qin, Guiping; Huang, Hanmin","Silver-catalyzed nucleophilic substitution of aminals with ethyl diazoacetate: a new pathway to β-amino-α-diazoesters.","Organic & biomolecular chemistry","2016","14","45","10572","10575","10.1039/c6ob02136k","","","0.71073","MoKα","","0.0666","0.0497","","","0.1435","0.1601","","","","","","0.997","","","","has coordinates","190258","2020-10-21","18:00:00",""
"7155333","7.5325","0.0007","8.2606","0.0007","9.0301","0.0008","73.705","0.008","83.998","0.008","68.21","0.008","500.78","0.08","295","2","295","2","","","","","","","Synthesized compound","3","P -1","-P 1","2","","6-methyl-3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine","","- C12 H10 N4 -","- C12 H10 N4 -","- C24 H20 N8 -","2","1","","Inturi, Surendra Babu; Kalita, Biswajit; Ahamed, A. Jafar","I2-TBHP-catalyzed one-pot highly efficient synthesis of 4,3-fused 1,2,4-triazoles from N-tosylhydrazones and aromatic N-heterocycles via intermolecular formal 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2016","14","47","11061","11064","10.1039/c6ob01926a","","","0.71073","MoKα","","0.0625","0.0493","","","0.098","0.1054","","","","","","1.165","","","","has coordinates","190268","2020-10-21","18:00:00",""
"7155334","6.5842","0.001","10.527","0.003","14.581","0.003","90","","90","","90","","1010.6","0.4","295","2","295","2","","","","","","","Synthesized compound","4","P 21 21 21","P 2ac 2ab","19","","6-fluoro-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine","","- C12 H8 F N3 -","- C12 H8 F N3 -","- C48 H32 F4 N12 -","4","1","","Inturi, Surendra Babu; Kalita, Biswajit; Ahamed, A. Jafar","I2-TBHP-catalyzed one-pot highly efficient synthesis of 4,3-fused 1,2,4-triazoles from N-tosylhydrazones and aromatic N-heterocycles via intermolecular formal 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2016","14","47","11061","11064","10.1039/c6ob01926a","","","0.71073","MoKα","","0.0634","0.0407","","","0.0668","0.0765","","","","","","0.984","","","","has coordinates","190268","2020-10-21","18:00:00",""
"7155335","6.48478","0.00012","10.65822","0.00019","30.3573","0.0006","85.3716","0.0008","88.6754","0.0007","78.29","0.0007","2047.76","0.07","93","","93","","","","","","","","","5","P -1","-P 1","2","","TPPbeSi","","- C45 H46 N4 O2 Si3 -","- C45 H46 N4 O2 Si3 -","- C90 H92 N8 O4 Si6 -","2","1","","Sugita, Noriaki; Hayashi, Satoshi; Shibata, Masashi; Endo, Taiga; Noji, Masahiro; Takatori, Kazuhiko; Takanami, Toshikatsu","Regioselective β-silylation of porphyrins via iridium-catalyzed C-H bond activation.","Organic & biomolecular chemistry","2016","14","43","10189","10192","10.1039/c6ob02243j","","","1.54187","CuKα","","0.0731","0.0552","","","0.1527","0.1694","","","","","","1.115","","","","has coordinates","188289","2020-10-21","18:00:00",""
"7155336","10.22","0.08","27.88","0.1","9.39","0.11","90","","90","","90","","2676","4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","9a","6-Benzoylmethyl-2-ethanoylamino-pyridine","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C120 H112 N16 O16 -","8","1","","Le, Song Thi; Fujimoto, Toshiki; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Synthesis of 6-substituted 2-phenacylpyridines from 2-(phenylethynyl)pyridine via isoxazolo[2,3-a]pyridinium salt","Org. Biomol. Chem.","2016","","","","","10.1039/C6OB01942K","","","0.71069","MoKα","","","0.0571","","","","0.193","","","","","","0.918","","","","has coordinates","187545","2020-10-21","18:00:00",""
"7155337","10.2408","0.0011","11.0014","0.0012","17.5608","0.0019","90","","90","","90","","1978.5","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O5 S -","- C21 H24 O5 S -","- C84 H96 O20 S4 -","4","1","","Wang, Xuan; Sun, Wangbin; Zou, Jian-Ping; lin, guoqiang; Sun, Bingfeng","Asymmetric Total Synthesis of Hedyosumin E aglycon, 7,10-Epoxyhedyosminolide and ent-Zedolactone A","Org. Biomol. Chem.","2016","","","","","10.1039/C6OB02179D","","","0.71073","MoKα","","0.0316","0.0299","","","0.0785","0.0799","","","","","","1.039","","","","has coordinates","187546","2020-10-21","18:00:00",""
"7155338","32.0131","0.0005","15.5735","0.0002","14.771","0.0004","90","","90","","90","","7364.2","0.2","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C118 H198 N33 O26.4 P3 S5 -","- C118 H198 N33 O26.4 P3 S5 -","- C236 H396 N66 O52.8 P6 S10 -","2","0.5","","Mungalpara, Disha; Kelm, Harald; Valkonen, Arto; Rissanen, Kari; Keller, Sandro; Kubik, Stefan","Oxoanion binding to a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties.","Organic & biomolecular chemistry","2016","15","1","102","113","10.1039/c6ob02172g","","","1.54184","CuKα","","0.1365","0.1279","","","0.3742","0.3923","","","","","","1.76","","","","has coordinates,has disorder","191751","2020-10-21","18:00:00",""
"7155339","9.3172","0.0002","18.6791","0.0004","29.1423","0.0005","90","","90","","90","","5071.84","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyclo[(R)-Lac-1,4-Tri-Epa]3","","","- C40 H57 N15 O8.35 S5 -","- C40 H57 N15 O8.35 S5 -","- C160 H228 N60 O33.4 S20 -","4","1","","Mungalpara, Disha; Kelm, Harald; Valkonen, Arto; Rissanen, Kari; Keller, Sandro; Kubik, Stefan","Oxoanion binding to a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties.","Organic & biomolecular chemistry","2016","15","1","102","113","10.1039/c6ob02172g","","","1.54184","CuKα","","0.035","0.0327","","","0.0821","0.0843","","","","","","1.033","","","","has coordinates,has disorder","191751","2020-10-21","18:00:00",""
"7155340","9.9835","0.0014","12.2707","0.0016","23.46","0.003","90","","90","","90","","2874","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O6 -","- C31 H36 N2 O6 -","- C124 H144 N8 O24 -","4","1","","Tan, Yu; Feng, Er-Lu; Sun, Qiang-Sheng; Lin, Hua; Sun, Xun; Lin, Guo-Qiang; Sun, Xing-Wen","Enantioselective synthesis of spirooxindole benzoquinolizines via organo-catalyzed cascade reactions.","Organic & biomolecular chemistry","2017","15","4","778","781","10.1039/c6ob02157c","","","1.54178","CuKα","","0.1975","0.189","","","0.3905","0.401","","","","","","1.778","","","","has coordinates","191731","2020-10-21","18:00:00",""
"7155341","22.0361","0.001","8.9726","0.0004","18.4215","0.0008","90","","98.967","0.003","90","","3597.8","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C39 H44 N2 O7 -","- C39 H44 N2 O7 -","- C156 H176 N8 O28 -","4","1","","Tan, Yu; Feng, Er-Lu; Sun, Qiang-Sheng; Lin, Hua; Sun, Xun; Lin, Guo-Qiang; Sun, Xing-Wen","Enantioselective synthesis of spirooxindole benzoquinolizines via organo-catalyzed cascade reactions.","Organic & biomolecular chemistry","2017","15","4","778","781","10.1039/c6ob02157c","","","1.54178","CuKα","","0.1055","0.0977","","","0.2925","0.3097","","","","","","1.334","","","","has coordinates","191731","2020-10-21","18:00:00",""
"7155342","7.2335","0.0018","10.875","0.003","14.08","0.004","69.0021","0.0018","89.6","0.002","73.302","0.002","984.7","0.5","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","Z2-52-2","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C40 H42 N2 O10 S2 -","2","1","","Zhang, Shuyao; Shan, Chuan; Zhang, Shuai; Yuan, Luye; Wang, Jianwu; Tung, Chen-Ho; Xing, Ling-Bao; Xu, Zhenghu","Breaking aziridines to construct morpholines with a gold(i)-catalyzed tandem ring-opening and cycloisomerization reaction.","Organic & biomolecular chemistry","2016","14","46","10973","10980","10.1039/c6ob02284g","","","0.71","MoKα","","0.0991","0.0792","","","0.2246","0.26","","","","","","1.033","","","","has coordinates","190255","2020-10-21","18:00:00",""
"7155343","13.49","0.004","7.784","0.003","16.677","0.005","90","","105.231","0.003","90","","1689.7","1","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","1","","Zhang, Shuyao; Shan, Chuan; Zhang, Shuai; Yuan, Luye; Wang, Jianwu; Tung, Chen-Ho; Xing, Ling-Bao; Xu, Zhenghu","Breaking aziridines to construct morpholines with a gold(i)-catalyzed tandem ring-opening and cycloisomerization reaction.","Organic & biomolecular chemistry","2016","14","46","10973","10980","10.1039/c6ob02284g","","","0.71","MoKα","","0.1152","0.0507","","","0.0944","0.1166","","","","","","0.999","","","","has coordinates","190255","2020-10-21","18:00:00",""
"7155344","5.3124","0.0004","7.0459","0.0008","29.215","0.002","90","","90","","90","","1093.54","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Butyl 2-deoxy-3,6-anhydro-beta-D-arabinohexofuranoside","","- C10 H18 O5 -","- C10 H18 O5 -","- C40 H72 O20 -","4","1","","Zhang, Chenxi; Wang, Chengcheng; Wang, Zihao; Tanabe, Genzoh; Muraoka, Osamu; Lin, Aijun; Xu, Jinyi; Wu, Xiaoming; Wu, Liang; Xie, Weijia","Total synthesis, structural elucidation and anti-inflammatory activity evaluation of 2-deoxy-3,6-anhydro hexofuranoside derivatives isolated from Sauropus rostratus.","Organic & biomolecular chemistry","2016","14","46","10906","10913","10.1039/c6ob02207c","","","1.54178","CuKα","","0.0602","0.06","","","0.1604","0.1604","","","","","","1.107","","","","has coordinates","190253","2020-10-21","18:00:00",""
"7155345","5.1901","0.0006","18.063","0.003","12.141","0.0013","90","","93.142","0.011","90","","1136.5","0.3","293.18","0.1","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-diphenyl-1,3,4-oxadiazole","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Zhang, Weigang; Su, Yingpeng; Chong, Siying; Wu, Lili; Cao, Guiyan; Huang, Danfeng; Wang, Ke-Hu; Hu, Yulai","Phenyliodonium diacetate mediated carbotrifluoromethylation of N-acylhydrazones.","Organic & biomolecular chemistry","2016","14","47","11162","11175","10.1039/c6ob02041k","","x-ray","0.71073","MoKα","","0.2476","0.0946","","","0.1585","0.2374","","","","","","0.981","","","","has coordinates","190267","2020-10-21","18:00:00",""
"7155346","5.7064","0.0005","17.0772","0.0013","14.1572","0.0009","90","","94.665","0.007","90","","1375.04","0.18","293.69","0.16","293.69","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(2,2,2-Trifluoro-1-phenylethylidene)benzohydrazide","","- C15 H11 F3 N2 O -","- C15 H11 F3 N2 O -","- C60 H44 F12 N8 O4 -","4","1","","Zhang, Weigang; Su, Yingpeng; Chong, Siying; Wu, Lili; Cao, Guiyan; Huang, Danfeng; Wang, Ke-Hu; Hu, Yulai","Phenyliodonium diacetate mediated carbotrifluoromethylation of N-acylhydrazones.","Organic & biomolecular chemistry","2016","14","47","11162","11175","10.1039/c6ob02041k","","x-ray","0.71073","MoKα","","0.1181","0.0572","","","0.117","0.1527","","","","","","1.037","","","","has coordinates","190267","2020-10-21","18:00:00",""
"7155347","10.237","0.0003","10.237","0.0003","16.675","0.0004","90","","90","","90","","1747.48","0.08","298","2","298","2","","","","","","","","5","P 41","P 4w","76","F-THENA","8-Fluoro-1,2,3,4-tetrahydro-1,4-epoxynaphthalene-1-carboxylic acid","","- C20 H20 F N O3 -","- C20 H20 F N O3 -","- C80 H80 F4 N4 O12 -","4","1","","Dolsophon, Kulvadee; Soponpong, Jakapun; Kornsakulkarn, Jittra; Thongpanchang, Chawanee; Prabpai, Samran; Kongsaeree, Palangpon; Thongpanchang, Tienthong","F-THENA: a chiral derivatizing agent for the determination of the absolute configuration of secondary aromatic alcohols with a self-validating system.","Organic & biomolecular chemistry","2016","14","46","11002","11012","10.1039/c6ob02255c","","x-ray","0.71073","MoKα","","0.046","0.0394","","","0.0905","0.0953","","","","","","1.049","","","","has coordinates","190252","2020-10-21","18:00:00",""
"7155348","19.765","0.001","17.35","0.001","24.003","0.002","90","","90","","90","","8231.2","0.9","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C70 H25 Br O5 -","- C70 H25.5 Br O5 -","- C560 H204 Br8 O40 -","8","1","","Khakina, Ekaterina A.; Kraevaya, Ol'ga A.; Popova, Maria L.; Peregudov, Alexander S.; Troyanov, Sergey I.; Chernyak, Alexander V.; Martynenko, Vyacheslav M.; Kulikov, Alexander V.; Schols, Dominique; Troshin, Pavel A.","Synthesis of different types of alkoxy fullerene derivatives from chlorofullerene C60Cl6.","Organic & biomolecular chemistry","2017","15","4","773","777","10.1039/c6ob02251k","","","0.88561","synchrotron","","0.2131","0.1041","","","0.2425","0.2686","","","","","","1.054","","","","has coordinates,has disorder","191733","2020-10-21","18:00:00",""
"7155349","12.104","0.002","34.297","0.007","7.195","0.0014","90","","90","","90","","2986.9","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H54 O4 -","- C32 H54 O4 -","- C128 H216 O16 -","4","1","","Chen, Dongyin; Zhang, Pu; Sun, Yan; Wang, Pengfei; Zhang, Can; Kong, Lingyi; Zhang, Ji; Sun, Hongbin; Wen, Xiaoan","Protonated montmorillonite-mediated highly specific isomerization of oleanolic acid esters: application to the synthesis of Δ(13(18))-CDDO-Me.","Organic & biomolecular chemistry","2016","14","47","11154","11161","10.1039/c6ob02126c","","","0.71073","MoKα","","0.1422","0.0789","","","0.1635","0.1978","","","","","","1.006","","","","has coordinates","190271","2020-10-21","18:00:00",""
"7155350","11.943","0.002","5.5757","0.0011","27.176","0.006","90","","91.791","0.007","90","","1808.8","0.6","125","","125","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H28 F4 -","- C21 H28 F4 -","- C84 H112 F16 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","1.54187","CuKα","","0.0537","0.0516","","","0.1699","0.1727","","","","","","1.059","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155351","27.34","0.02","5.534","0.004","12.092","0.011","90","","102.294","0.019","90","","1788","2","125","","125","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 F3 -","- C21 H29 F3 -","- C84 H116 F12 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","1.54187","CuKα","","0.1506","0.0909","","","0.2512","0.2943","","","","","","1.108","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155352","11.934","0.003","5.5818","0.0015","26.703","0.007","90","","90.656","0.006","90","","1778.7","0.8","173","","173","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H30 F2 -","- C21 H30 F2 -","- C84 H120 F8 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.2025","0.081","","","0.1331","0.1732","","","","","","1.019","","","","has coordinates,has disorder","188032","2020-10-21","18:00:00",""
"7155353","5.3032","0.0006","25.832","0.003","13.1164","0.0017","90","","97.667","0.003","90","","1780.8","0.4","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 F -","- C21 H31 F -","- C84 H124 F4 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.065","0.0532","","","0.1468","0.1545","","","","","","1.067","","","","has coordinates,has disorder","188032","2020-10-21","18:00:00",""
"7155354","5.4875","0.0006","9.8366","0.0009","16.6611","0.0015","79.139","0.011","84.202","0.015","79.462","0.015","866.27","0.16","124","","124","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","1.54187","CuKα","","0.057","0.0535","","","0.1604","0.1621","","","","","","1.145","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155355","10.07","0.003","15.616","0.004","17.611","0.004","94.94","0.007","91.272","0.006","95.758","0.007","2743.8","1.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 F8 O6 S2 -","- C23 H28 F8 O6 S2 -","- C92 H112 F32 O24 S8 -","4","2","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.2105","0.0963","","","0.2277","0.2772","","","","","","1.047","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155356","44.56","0.017","5.5896","0.0015","26.277","0.01","90","","124.357","0.007","90","","5403","3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 F8 O6 S2 -","- C23 H28 F8 O6 S2 -","- C184 H224 F64 O48 S16 -","8","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.1467","0.0648","","","0.1275","0.1673","","","","","","1.067","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155357","5.4268","0.0008","10.7827","0.0015","19.506","0.003","78.369","0.006","82.27","0.007","79.893","0.006","1094.8","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 F5 O3 S -","- C22 H27 F5 O3 S -","- C44 H54 F10 O6 S2 -","2","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.0495","0.0434","","","0.1159","0.1317","","","","","","1.061","","","","has coordinates","188032","2020-10-21","18:00:00",""
"7155358","10.672","0.002","7.6389","0.0014","36.525","0.007","90","","92.495","0.003","90","","2974.8","1","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 N2 O -","- C21 H12 N2 O -","- C168 H96 N16 O8 -","8","2","","Hu, Fangdong; Liu, Huanhuan; Jia, Jiong; Ma, Chen","Transition-metal-free synthesis of indole-fused dibenzo[b,f][1,4]oxazepines via Smiles rearrangement.","Organic & biomolecular chemistry","2016","14","47","11076","11079","10.1039/c6ob02098d","","","0.71","MoKα","","0.1038","0.0659","","","0.0937","0.1034","","","","","","1.091","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7155359","9.05634","0.00018","11.2038","0.0002","30.5045","0.0005","90","","90","","90","","3095.15","0.1","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Br N2 O7 S -","- C28 H35 Br N2 O7 S -","- C112 H140 Br4 N8 O28 S4 -","4","1","","Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.","Organocatalyzed enantioselective Michael addition/cyclization cascade reaction of 3-isothiocyanato oxindoles with arylidene malonates.","Organic & biomolecular chemistry","2016","14","47","11250","11260","10.1039/c6ob02104b","","x-ray","1.54184","CuKα","","0.0622","0.0542","","","0.1486","0.1603","","","","","","1.054","","","","has coordinates","190269","2020-10-21","18:00:00",""
"7155360","7.1072","0.0005","13.7421","0.0011","27.891","0.002","90","","90","","90","","2724.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O4 Si -","- C29 H46 O4 Si -","- C116 H184 O16 Si4 -","4","1","","Dethe, Dattatraya H.; Dherange, Balu D.; Ali, Saghir; Parsutkar, Mahesh M.","Enantiospecific total syntheses of meroterpenoids (-)-F1839-I and (-)-corallidictyals B and D.","Organic & biomolecular chemistry","2016","15","1","65","68","10.1039/c6ob02322c","","","0.71073","MoKα","","0.0401","0.0345","","","0.0858","0.0937","","","","","","1.112","","","","has coordinates","191756","2020-10-21","18:00:00",""
"7155361","11.9878","0.0006","13.1429","0.0007","14.8309","0.0008","72.229","0.002","86.297","0.002","66.705","0.002","2039.57","0.19","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 Br O3 -","- C24 H25 Br O3 -","- C96 H100 Br4 O12 -","4","2","","Roselli, Christina A.; Gagné, Michel R","Gold(i)-catalyzed addition of aldehydes to cyclopropylidene bearing 6-aryl-1,5-enynes.","Organic & biomolecular chemistry","2016","14","47","11261","11265","10.1039/c6ob02128j","","","1.54178","CuKα","","0.0283","0.0262","","","0.066","0.0674","","","","","","1.054","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155362","14.369","0.002","15.522","0.003","20.704","0.004","87.071","0.002","81.557","0.002","64.601","0.002","4125.8","1.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","epoxy_ingenol derivative","","- C39 H59 Br O7 Si2 -","- C39 H59 Br O7 Si2 -","- C156 H236 Br4 O28 Si8 -","4","2","","Ohyoshi, Takayuki; Tamura, Yuki; Hayakawa, Ichiro; Hirai, Go; Miyazawa, Yamato; Funakubo, Shota; Sodeoka, Mikiko; Kigoshi, Hideo","Total synthesis of natural derivatives and artificial analogs of 13-oxyingenol and their biological evaluation.","Organic & biomolecular chemistry","2016","14","48","11426","11437","10.1039/c6ob02268e","","","0.71073","MoKα","","0.2126","0.1423","","","0.3578","0.4093","","","","","","1.013","","","","has coordinates","190256","2020-10-21","18:00:00",""
"7155363","17.1553","0.0007","11.3125","0.0004","19.1705","0.0007","90","","90","","90","","3720.4","0.2","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-(5-Cyano-1<i>H</i>-indol-1-yl)indolo[2,1-<i>a</i>]isoquinoline-10-carbonitrile","","- C26 H14 N4 -","- C26 H14 N4 -","- C208 H112 N32 -","8","1","","Ausekle, Elina; Ejaz, Syeda Abida; Khan, Shafi Ullah; Ehlers, Peter; Villinger, Alexander; Lecka, Joanna; Sévigny, Jean; Iqbal, Jamshed; Langer, Peter","New one-pot synthesis of N-fused isoquinoline derivatives by palladium-catalyzed C-H arylation: potent inhibitors of nucleotide pyrophosphatase-1 and -3.","Organic & biomolecular chemistry","2016","14","48","11402","11414","10.1039/c6ob02236g","","","0.71073","MoKα","","0.0897","0.0497","","","0.1019","0.1223","","","","","","1.008","","","","has coordinates","190257","2020-10-21","18:00:00",""
"7155364","5.4842","0.0015","15.284","0.004","16.885","0.005","90","","90","","90","","1415.3","0.7","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-1-bromo-4-(2-nitro-1-(p-tolyl)ethyl)benzene","","- C15 H14 Br N O2 -","- C15 H14 Br N O2 -","- C60 H56 Br4 N4 O8 -","4","1","","Li, Ruikun; Wen, Zhongqing; Wu, Na","A nordehydroabietyl amide-containing chiral diene for rhodium-catalysed asymmetric arylation to nitroolefins.","Organic & biomolecular chemistry","2016","14","47","11080","11084","10.1039/c6ob02202b","","","0.71073","MoKα","","0.0521","0.0356","","","0.0811","0.0881","","","","","","1.03","","","","has coordinates","190275","2020-10-21","18:00:00",""
"7155365","9.9971","0.0002","10.9922","0.0002","18.9189","0.0003","90","","93.6089","0.001","90","","2074.88","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SKL-20150205","","","- C21 H22 N O5 S -","- C21 H22 N O5 S -","- C84 H88 N4 O20 S4 -","4","1","","Jeon, Hyun Ji; Kwak, Mi Soo; Jung, Da Jung; Bouffard, Jean; Lee, Sang-Gi","Synthesis of α-methylene-δ-oxo-γ-amino esters via Rh(ii)-catalyzed coupling of 1-sulfonyl-1,2,3-triazoles with Morita-Baylis-Hillman adducts.","Organic & biomolecular chemistry","2016","14","47","11238","11243","10.1039/c6ob02086k","","","0.71073","","","0.0968","0.0532","","","0.1266","0.148","","","","","","1.038","","","","has coordinates","190274","2020-10-21","18:00:00",""
"7155366","9.1944","0.0008","10.833","0.0009","13.2249","0.0012","70.003","0.004","83.089","0.004","89.062","0.004","1228.4","0.19","170","2","170","2","","","","","","","","5","P -1","-P 1","2","HG-01","","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C54 H54 N2 O10 S2 -","2","1","","Jeon, Hyun Ji; Kwak, Mi Soo; Jung, Da Jung; Bouffard, Jean; Lee, Sang-Gi","Synthesis of α-methylene-δ-oxo-γ-amino esters via Rh(ii)-catalyzed coupling of 1-sulfonyl-1,2,3-triazoles with Morita-Baylis-Hillman adducts.","Organic & biomolecular chemistry","2016","14","47","11238","11243","10.1039/c6ob02086k","","","0.71073","","","0.1087","0.0892","","","0.1579","0.1674","","","","","","1.167","","","","has coordinates","190274","2020-10-21","18:00:00",""
"7155367","16.3439","0.0005","5.9484","0.0002","12.9762","0.0005","90","","90","","90","","1261.55","0.08","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Piens, Nicola; De Craene, Sven; Franceus, Jorick; Mollet, Karen; Van Hecke, Kristof; Desmet, Tom; D'hooghe, Matthias","Diastereoselective synthesis of 3-acetoxy-4-(3-aryloxiran-2-yl)azetidin-2-ones and their transformation into 3,4-oxolane-fused bicyclic β-lactams.","Organic & biomolecular chemistry","2016","14","47","11279","11288","10.1039/c6ob02221a","","x-ray","1.54184","CuKα","","0.0376","0.0326","","","0.0781","0.082","","","","","","1.046","","","","has coordinates","190273","2020-10-21","18:00:00",""
"7155368","6.769","0.0004","17.4058","0.0007","26.8238","0.0009","94.767","0.003","94.714","0.004","99.371","0.004","3092.7","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","4","","Piens, Nicola; De Craene, Sven; Franceus, Jorick; Mollet, Karen; Van Hecke, Kristof; Desmet, Tom; D'hooghe, Matthias","Diastereoselective synthesis of 3-acetoxy-4-(3-aryloxiran-2-yl)azetidin-2-ones and their transformation into 3,4-oxolane-fused bicyclic β-lactams.","Organic & biomolecular chemistry","2016","14","47","11279","11288","10.1039/c6ob02221a","","x-ray","1.54184","CuKα","","0.1012","0.0617","","","0.1417","0.1754","","","","","","1.08","","","","has coordinates","190273","2020-10-21","18:00:00",""
"7155369","18.6","0.01","9.144","0.006","23.69","0.01","90","","105.818","0.009","90","","3877","4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 N5 -","- C44 H39 N5 -","- C176 H156 N20 -","4","1","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.1993","0.0631","","","0.0975","0.1141","","","","","","1.136","","","","has coordinates,has disorder","191753","2020-10-21","18:00:00",""
"7155370","17.781","0.0008","15.3478","0.0009","6.0728","0.0002","90","","99.114","0.005","90","","1636.34","0.13","294.68","0.1","294.68","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O -","- C21 H22 O -","- C84 H88 O4 -","4","1","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.1235","0.0705","","","0.1524","0.1875","","","","","","1.075","","","","has coordinates,has disorder","191753","2020-10-21","18:00:00",""
"7155371","7.9273","0.0005","9.3159","0.0006","18.0174","0.0012","94.642","0.0018","93.031","0.0017","114.92","0.0015","1197.16","0.14","100","2","100","","","","","","","","","5","P -1","-P 1","2","(<i>2E</i>)-1-(2-aminophenyl)-3-(4-ethoxyphenyl)-2-propen-1-one","(<i>2E</i>)-1-(2-aminophenyl)-3-(4-ethoxyphenyl)-2-propen-1-one","","- C25 H25 N O7 S -","- C25 H25 N O7 S -","- C50 H50 N2 O14 S2 -","2","1","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.0579","0.0451","","","0.1295","0.1442","","","","","","1.072","","","","has coordinates,has disorder","191753","2020-10-21","18:00:00",""
"7155372","7.7546","0.0004","12.129","0.0006","9.9209","0.0006","90","","105.288","0.0014","90","","900.1","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cu2 F4 Fe H8 O8 P -","- Cu2 F4 Fe H8 O8 P -","- Cu8 F16 Fe4 H32 O32 P4 -","4","0.5","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","x-ray","0.71073","MoKα","","0.0189","0.0171","","","0.048","0.0489","","","","","","1.034","","","","has coordinates","191753","2020-10-21","18:00:00",""
"7155373","37.005","0.008","11.212","0.002","45.528","0.01","90","","91.208","0.003","90","","18885","7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H23 N3 -","- C32 H23 N3 -","- C1024 H736 N96 -","32","4","","Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping","Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.","Organic & biomolecular chemistry","2016","15","1","256","264","10.1039/c6ob02181f","","","0.71073","MoKα","","0.169","0.0809","","","0.2257","0.3051","","","","","","1.008","","","","has coordinates","191753","2020-10-21","18:00:00",""
"7155374","8.4926","0.0002","7.9538","0.0002","28.9887","0.0007","90","","91.1","0.001","90","","1957.78","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N3 -","- C25 H25 N3 -","- C100 H100 N12 -","4","1","","Kumar, K. Shiva; Bhaskar, Boyapally; Ramulu, Meesa Siddi; Kumar, N. Praveen; Ashfaq, Mohd Ashraf; Pal, Manojit","Metal catalyst free cyclization of 3-alkynyl substituted 2-(indol-3-yl)quinoxalines in TFA alone: a new synthesis of indolophenazines.","Organic & biomolecular chemistry","2016","15","1","82","87","10.1039/c6ob02340a","","","0.71073","MoKα","","0.0658","0.0426","","","0.1054","0.1207","","","","","","1.019","","","","has coordinates","191752","2020-10-21","18:00:00",""
"7155375","15.8218","0.0007","8.1579","0.0003","16.5439","0.0007","90","","100.532","0.002","90","","2099.39","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N3 -","- C26 H27 N3 -","- C104 H108 N12 -","4","1","","Kumar, K. Shiva; Bhaskar, Boyapally; Ramulu, Meesa Siddi; Kumar, N. Praveen; Ashfaq, Mohd Ashraf; Pal, Manojit","Metal catalyst free cyclization of 3-alkynyl substituted 2-(indol-3-yl)quinoxalines in TFA alone: a new synthesis of indolophenazines.","Organic & biomolecular chemistry","2016","15","1","82","87","10.1039/c6ob02340a","","","0.71073","MoKα","","0.0779","0.0473","","","0.1199","0.1462","","","","","","1.028","","","","has coordinates","191752","2020-10-21","18:00:00",""
"7155376","7.4821","0.0004","13.9447","0.0009","14.9797","0.0012","90","","90","","90","","1562.92","0.18","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Zhang, Zhijiang; Liu, Bo","Total synthesis and confirmation of the revised structures of jiangrines A, C and D.","Organic & biomolecular chemistry","2016","15","1","207","212","10.1039/c6ob02379g","","x-ray","0.71073","MoKα","","0.0786","0.0523","","","0.1052","0.121","","","","","","1.056","","","","has coordinates,has disorder","191754","2020-10-21","18:00:00",""
"7155377","6.89706","0.00006","13.34116","0.00017","9.5759","0.00011","90","","94.1494","0.0009","90","","878.815","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-6-((3R,4R,5R)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C17 H30 O4 -","- C17 H30 O4 -","- C34 H60 O8 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0353","0.0343","","","0.0908","0.0927","","","","","","1.068","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155378","6.71157","0.00009","12.95291","0.00017","20.1272","0.0002","90","","97.8329","0.0011","90","","1733.42","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-5-((3R,4R,5R)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)furan-2(5H)-one","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","2","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0506","0.0484","","","0.1327","0.1378","","","","","","1.045","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155379","13.6989","0.0005","7.5129","0.0002","15.8965","0.0005","90","","103.187","0.003","90","","1592.9","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-6-((3R,4R,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C27 H54 O4 Si2 -","- C27 H54 O4 Si2 -","- C54 H108 O8 Si4 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0695","0.0659","","","0.1684","0.1761","","","","","","1.067","","","","has coordinates,has disorder","191755","2020-10-21","18:00:00",""
"7155380","6.3617","0.0003","10.0016","0.0003","20.4847","0.0007","90","","90","","90","","1303.38","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,4R,5R)-2,4,6,6-tetramethyloct-7-ene-3,5-diol","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0591","0.0523","","","0.1572","0.1639","","","","","","1.195","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155381","6.35866","0.00012","9.99503","0.00017","20.4733","0.0003","90","","90","","90","","1301.18","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,4S,5S)-2,4,6,6-tetramethyloct-7-ene-3,5-diol","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0469","0.0433","","","0.1218","0.1282","","","","","","1.068","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155382","6.71457","0.00006","12.74183","0.00011","19.91482","0.00019","90","","98.6786","0.0009","90","","1684.32","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-5-((3S,4S,5S)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)furan-2(5H)-one","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","2","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0435","0.0411","","","0.1214","0.1225","","","","","","1.129","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155383","13.67692","0.00013","7.47473","0.00008","15.84227","0.00018","90","","103.335","0.001","90","","1575.91","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-6-((3S,4S,5S)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C27 H54 O4 Si2 -","- C27 H54 O4 Si2 -","- C54 H108 O8 Si4 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0504","0.0492","","","0.1308","0.1328","","","","","","1.027","","","","has coordinates,has disorder","191755","2020-10-21","18:00:00",""
"7155384","6.89663","0.00007","13.34364","0.00017","9.58347","0.00009","90","","94.1421","0.0009","90","","879.626","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-6-((3S,4S,5S)-3,5-dimethoxy-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one","","- C17 H30 O4 -","- C17 H30 O4 -","- C34 H60 O8 -","2","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.0473","0.0464","","","0.1191","0.1208","","","","","","1.057","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155385","16.5936","0.0003","16.0072","0.0003","12.75162","0.00019","90","","90","","90","","3387.05","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5S,6S,7S)-5,7-bis((tert-butyldimethylsilyl)oxy)-4,4,6,8-tetramethylnon-1-en-3-yl acrylate","","- C28.15 H54.38 O4 Si2 -","- C28 H54 O4 Si2 -","- C112 H216 O16 Si8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.1042","0.0885","","","0.255","0.2637","","","","","","1.101","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155386","8.8528","0.0007","10.3504","0.0008","14.1556","0.0011","91.588","0.005","107.369","0.004","115.303","0.013","1100.9","0.2","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H23 F3 O4 -","- C22 H23 F3 O4 -","- C44 H46 F6 O8 -","2","1","","Becerra-Figueroa, Liliana; Brun, Elodie; Mathieson, Michael; Farrugia, Louis J.; Wilson, Claire; Prunet, Joëlle; Gamba-Sánchez, Diego","Diastereoselective synthesis of trifluoromethylated 1,3-dioxanes by intramolecular oxa-Michael reaction.","Organic & biomolecular chemistry","2017","15","2","301","305","10.1039/c6ob02333a","","x-ray","0.71073","MoKα","","0.0511","0.0415","","","0.1157","0.1211","","","","","","1.07","","","","has coordinates","191725","2020-10-21","18:00:00",""
"7155387","8.898","0.003","26.042","0.007","9.427","0.002","90","","91.704","0.006","90","","2183.5","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F3 N O5 -","- C23 H24 F3 N O5 -","- C92 H96 F12 N4 O20 -","4","1","","Becerra-Figueroa, Liliana; Brun, Elodie; Mathieson, Michael; Farrugia, Louis J.; Wilson, Claire; Prunet, Joëlle; Gamba-Sánchez, Diego","Diastereoselective synthesis of trifluoromethylated 1,3-dioxanes by intramolecular oxa-Michael reaction.","Organic & biomolecular chemistry","2017","15","2","301","305","10.1039/c6ob02333a","","","0.71073","MoKα","","0.1229","0.078","","","0.1768","0.1978","","","","","","1.036","","","","has coordinates","191725","2020-10-21","18:00:00",""
"7155388","7.9939","0.0005","8.0488","0.0004","22.5543","0.0013","96.579","0.002","96.368","0.002","90.008","0.002","1432.6","0.14","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C16 H13 Br F N O2 -","- C16 H13 Br F N O2 -","- C64 H52 Br4 F4 N4 O8 -","4","4","","Zhang, Lijun; Zhang, Wenzhong; Mei, Haibo; Han, Jianlin; Soloshonok, Vadim A.; Pan, Yi","Catalytic asymmetric aldol addition reactions of 3-fluoro-indolinone derived enolates.","Organic & biomolecular chemistry","2017","15","2","311","315","10.1039/c6ob02454h","","","0.71073","MoKα","","0.0448","0.0365","","","0.0778","0.0809","","","","","","1.029","","","","has coordinates","191724","2020-10-21","18:00:00",""
"7155389","6.5505","0.0003","8.7111","0.0004","9.9103","0.0005","82.5366","0.0018","73.6985","0.0014","76.9181","0.0018","527.35","0.04","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","- C25 H20 Cl N O4 -","1","1","","Sengoku, Tetsuya; Kokubo, Kana; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Indium-catalysed amide allylation of α-iminoamide: highly enantioselective synthesis of amide functionalised α-methylene-γ-butyrolactams.","Organic & biomolecular chemistry","2017","15","2","320","323","10.1039/c6ob02506d","","","1.54178","","","0.0298","0.0297","","","0.0766","0.0768","","","","","","1.031","","","","has coordinates","191722","2020-10-21","18:00:00",""
"7155390","10.8152","0.0005","8.5569","0.0003","20.0431","0.0009","90","","95.275","0.004","90","","1847.02","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 O P S -","- C22 H17 O P S -","- C88 H68 O4 P4 S4 -","4","1","","Wang, Dungai; Zhao, Jinlong; Xu, Weigang; Shao, Changwei; Shi, Zheng; Li, Liang; Zhang, Xinghua","Metal- and base-free reductive coupling reaction of P(O)-H with aryl/alkyl sulfonyl chlorides: a novel protocol for the construction of P-S-C bonds.","Organic & biomolecular chemistry","2017","15","3","545","549","10.1039/c6ob02364a","","","0.71073","MoKα","","0.0567","0.0418","","","0.1294","0.145","","","","","","1.008","","","","has coordinates","191738","2020-10-21","18:00:00",""
"7155391","7.5252","0.0007","24.2334","0.0017","15.7891","0.0016","90","","90.167","0.004","90","","2879.3","0.4","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C43 H9 F19 N4 O3 -","- C43 H9 F19 N4 O3 -","- C86 H18 F38 N8 O6 -","2","0.25","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.1481","0.1288","","","0.3683","0.3961","","","","","","1.477","","","","has coordinates,has disorder","209173","2020-10-21","18:00:00",""
"7155392","13.7073","0.0006","13.9417","0.0006","41.647","0.002","90","","90.131","0.0016","90","","7958.8","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H30 F38 N8 O4 -","- C94 H30 F38 N8 O4 -","- C376 H120 F152 N32 O16 -","4","0.5","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.0648","0.0581","","","0.1565","0.1602","","","","","","1.075","","","","has coordinates","191726","2020-10-21","18:00:00",""
"7155393","15.894","0.001","16.7789","0.001","18.4175","0.0011","79.362","0.002","69.996","0.002","65.955","0.002","4209","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45.79 H12.84 Cl1.3 F19 N4 O2 S1.14 -","- C45.786 H12.842 Cl1.302 F19 N4 O2 S1.135 -","- C183.144 H51.368 Cl5.208 F76 N16 O8 S4.54 -","4","2","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.0466","0.0395","","","0.096","0.1018","","","","","","1.027","","","","has coordinates,has disorder","191726","2020-10-21","18:00:00",""
"7155394","6.1225","0.0006","16.4269","0.0015","15.5669","0.0014","90","","93.055","0.003","90","","1563.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Xia, Chengcai; Wang, Kai; Xu, Jun; Shen, Chao; Sun, Di; Li, Hongshuang; Wang, Guodong; Zhang, Pengfei","Selective remote esterification of 8-aminoquinoline amides via copper(ii)-catalyzed C(sp(2))-O cross-coupling reaction.","Organic & biomolecular chemistry","2017","15","3","531","535","10.1039/c6ob02375d","","","0.71073","MoKα","","0.0636","0.0455","","","0.1248","0.139","","","","","","1.027","","","","has coordinates","191743","2020-10-21","18:00:00",""
"7155395","10.6177","0.0006","12.3153","0.0007","22.9275","0.0013","90","","91.573","0.004","90","","2996.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H80 O12 Si2 -","- C60 H80 O12 Si2 -","- C120 H160 O24 Si4 -","2","1","","Bandara, Mithila D.; Yasomanee, Jagodige P.; Rath, Nigam P.; Pedersen, Christian M.; Bols, Mikael; Demchenko, Alexei V.","Conformationally superarmed S-ethyl glycosyl donors as effective building blocks for chemoselective oligosaccharide synthesis in one pot.","Organic & biomolecular chemistry","2017","15","3","559","563","10.1039/c6ob02498j","","","0.71073","MoKα","","0.1417","0.0616","","","0.1338","0.1714","","","","","","1.017","","","","has coordinates,has disorder","191745","2020-10-21","18:00:00",""
"7155396","9.6767","0.0004","13.4665","0.0005","25.2462","0.0007","90","","100.061","0.003","90","","3239.3","0.2","110.02","0.13","110.02","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N6 O8 -","- C28 H42 N6 O8 -","- C112 H168 N24 O32 -","4","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0904","0.0618","","","0.1284","0.1448","","","","","","1.095","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155397","17.7469","0.0006","8.5054","0.0003","28.7562","0.001","90","","90","","90","","4340.6","0.3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H28 N6 O6 -","- C19 H28 N6 O6 -","- C152 H224 N48 O48 -","8","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0652","0.053","","","0.1498","0.1607","","","","","","1.061","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155398","12.7749","0.0011","10.4901","0.001","9.508","0.0013","90","","90","","90","","1274.2","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C44 H68 N20 O8 -","4","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0511","0.0393","","","0.0869","0.0945","","","","","","1.064","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155399","13.21","0.0006","14.3452","0.0006","14.9727","0.001","96.394","0.004","116.168","0.003","107.161","0.003","2334.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H58 Cl2 N6 O11 -","- C43 H58 Cl2 N6 O11 -","- C86 H116 Cl4 N12 O22 -","2","1","","Rubio, Omayra H.; Taouil, Rachid; Muñiz, Francisco M; Monleón, Laura M; Simón, Luis; Sanz, Francisca; Morán, Joaquín R","A molecular receptor selective for zwitterionic alanine.","Organic & biomolecular chemistry","2017","15","2","477","485","10.1039/c6ob02237e","","","1.54178","CuKα","","0.0896","0.0649","","","0.1879","0.2116","","","","","","1.047","","","","has coordinates","191723","2020-10-21","18:00:00",""
"7155400","13.2663","0.0006","14.226","0.0007","15.0088","0.0007","68.446","0.003","63.857","0.003","73.509","0.003","2339.6","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H58 Cl2 N6 O11 -","- C43 H58 Cl2 N6 O11 -","- C86 H116 Cl4 N12 O22 -","2","2","","Rubio, Omayra H.; Taouil, Rachid; Muñiz, Francisco M; Monleón, Laura M; Simón, Luis; Sanz, Francisca; Morán, Joaquín R","A molecular receptor selective for zwitterionic alanine.","Organic & biomolecular chemistry","2017","15","2","477","485","10.1039/c6ob02237e","","","1.54178","CuKα","","0.0652","0.0593","","","0.1638","0.172","","","","","","1.049","","","","has coordinates","191723","2020-10-21","18:00:00",""
"7155401","12.8657","0.0004","14.2553","0.0004","14.8313","0.0004","95.487","0.002","114.669","0.002","107.436","0.002","2280.62","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Cl2 N6 O11 -","- C42 H56 Cl2 N6 O11 -","- C84 H112 Cl4 N12 O22 -","2","1","","Rubio, Omayra H.; Taouil, Rachid; Muñiz, Francisco M; Monleón, Laura M; Simón, Luis; Sanz, Francisca; Morán, Joaquín R","A molecular receptor selective for zwitterionic alanine.","Organic & biomolecular chemistry","2017","15","2","477","485","10.1039/c6ob02237e","","","1.54178","CuKα","","0.063","0.0577","","","0.1616","0.1671","","","","","","1.028","","","","has coordinates","191723","2020-10-21","18:00:00",""
"7155402","10.8402","0.0018","10.9776","0.0018","11.4168","0.0019","90","","90","","90","","1358.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O4 S -","- C15 H11 N O4 S -","- C60 H44 N4 O16 S4 -","4","1","","Wu, Hongxiang; Liu, Tingting; Cui, Ming; Li, Yue; Jian, Junsheng; Wang, Hui; Zeng, Zhuo","Rhodium-catalyzed C-H functionalization with N-acylsaccharins.","Organic & biomolecular chemistry","2017","15","3","536","540","10.1039/c6ob02526a","","","0.71073","MoKα","","0.0388","0.036","","","0.0868","0.0888","","","","","","1.071","","","","has coordinates","191735","2020-10-21","18:00:00",""
"7155403","13.5987","0.0002","7.2344","0.0001","13.7418","0.0002","90","","90","","90","","1351.9","0.03","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H10 Cl2 N2 O2 -","- C16 H10 Cl2 N2 O2 -","- C64 H40 Cl8 N8 O8 -","4","0.5","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0287","0.0274","","0.0768","0.0748","0.0761","","","","","","1.0054","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155404","9.6458","0.0002","14.7532","0.0002","11.0237","0.0002","90","","109.373","0.0018","90","","1479.92","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0406","0.0382","","0.0984","0.0962","0.0984","","","","","","0.9881","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155405","7.3292","0.0001","19.7192","0.0003","10.6272","0.0002","90","","97.9329","0.0017","90","","1521.21","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0557","0.0538","","0.1376","0.1358","0.1376","","","","","","0.9886","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155406","12.2306","0.0007","13.6348","0.0008","8.4844","0.0005","90","","93.658","0.001","90","","1411.99","0.14","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F2 N2 -","- C18 H18 F2 N2 -","- C72 H72 F8 N8 -","4","1","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","0.71073","MoKα","","0.0447","0.0406","","","0.1138","0.1174","","","","","","1.033","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155407","7.3791","0.0001","12.5501","0.0002","7.4981","0.0001","90","","90","","90","","694.387","0.017","150","","150","","","","","","","","","4","P n c 2","P 2 -2bc","30","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","0.5","","Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján","Twisting the ethano-Tröger's base: the bisamide.","Organic & biomolecular chemistry","2017","15","3","628","633","10.1039/c6ob02359b","","","1.5418","CuKα","","0.0253","0.0252","","0.0692","0.0691","0.0692","","","","","","1.0136","","","","has coordinates","191739","2020-10-21","18:00:00",""
"7155408","11.0208","0.0008","5.0952","0.0004","14.7276","0.0011","90","","103.403","0.006","90","","804.48","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H17 Cl F6 N2 O6 -","- C10 H17 Cl F6 N2 O6 -","- C20 H34 Cl2 F12 N4 O12 -","2","1","","Kondratov, Ivan S.; Logvinenko, Ivan G.; Tolmachova, Nataliya A.; Morev, Roman N.; Kliachyna, Maria A.; Clausen, Florian; Daniliuc, Constantin G.; Haufe, Günter","Synthesis and physical chemical properties of 2-amino-4-(trifluoromethoxy)butanoic acid - a CF3O-containing analogue of natural lipophilic amino acids.","Organic & biomolecular chemistry","2017","15","3","672","679","10.1039/c6ob02436j","","","1.54178","CuKα","","0.1253","0.0918","","","0.1578","0.169","","","","","","1.191","","","","has coordinates","191741","2020-10-21","18:00:00",""
"7155409","7.6236","0.0002","6.9169","0.0002","26.9337","0.0007","90","","95.617","0.001","90","","1413.44","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0442","0.0406","","","0.1393","0.1449","","","","","","1.137","","","","has coordinates","191747","2020-10-21","18:00:00",""
"7155410","7.5076","0.0006","7.9269","0.0006","13.2339","0.001","94.761","0.004","94.576","0.004","98.12","0.004","773.64","0.1","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C34 H34 Br2 O6 -","2","2","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0336","0.0303","","","0.0951","0.0989","","","","","","0.763","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155411","4.3644","0.0003","15.4436","0.001","7.821","0.0006","90","","99.674","0.005","90","","519.66","0.06","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H8 Br2 -","- C11 H8 Br2 -","- C22 H16 Br4 -","2","1","","Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun","Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.","Organic & biomolecular chemistry","2017","15","3","605","609","10.1039/c6ob02178f","","","0.71073","MoKα","","0.0451","0.0419","","","0.1405","0.1476","","","","","","0.671","","","","has coordinates","191747","2020-10-21","18:00:00",""
"7155412","7.0321","0.00018","8.4501","0.0002","40.7561","0.0011","90","","90","","90","","2421.81","0.11","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acetyl octahydroindole-2-carboxylic acid methyl ester","methyl (2S,3aS,7aS)-1-acetyloctahydro-1H-indole-2-carboxylate","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C96 H152 N8 O24 -","8","2","","Kubyshkin, Vladimir; Budisa, Nediljko","Construction of a polyproline structure with hydrophobic exterior using octahydroindole-2-carboxylic acid.","Organic & biomolecular chemistry","2017","15","3","619","627","10.1039/c6ob02306a","","x-ray","1.54184","CuKα","","0.0344","0.0333","","","0.0831","0.084","","","","","","1.083","","","","has coordinates","191740","2020-10-21","18:00:00",""
"7155413","23.5858","0.0012","19.6801","0.0008","15.1629","0.0011","90","","90","","90","","7038.2","0.7","150","2","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N-para-Bromobenzoyl hexa-octahydroindole-2-carboxylic acid amide","","- C61 H81 Br N7 O7 -","- C61 H81 Br N7 O7 -","- C244 H324 Br4 N28 O28 -","4","1","","Kubyshkin, Vladimir; Budisa, Nediljko","Construction of a polyproline structure with hydrophobic exterior using octahydroindole-2-carboxylic acid.","Organic & biomolecular chemistry","2017","15","3","619","627","10.1039/c6ob02306a","","x-ray","1.54184","CuKα","","0.0995","0.0702","","","0.1624","0.186","","","","","","0.986","","","","has coordinates,has disorder","191740","2020-10-21","18:00:00",""
"7155414","6.2188","0.0009","9.282","0.0013","25.561","0.004","90","","90","","90","","1475.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 N O4 -","- C13 H23 N O4 -","- C52 H92 N4 O16 -","4","1","","Si, Chang-Mei; Shao, Lu-Ping; Mao, Zhuo-Ya; Zhou, Wen; Wei, Bang-Guo","An efficient approach to trans-4-hydroxy-5-substituted 2-pyrrolidinones through a stereoselective tandem Barbier process: divergent syntheses of (3R,4S)-statines, (+)-preussin and (-)-hapalosin.","Organic & biomolecular chemistry","2017","15","3","649","661","10.1039/c6ob02523d","","","0.71073","MoKα","","0.0519","0.044","","","0.1025","0.1062","","","","","","1.034","","","","has coordinates","191744","2020-10-21","18:00:00",""
"7155415","15.968","0.002","9.5866","0.0012","26.313","0.003","90","","104.893","0.002","90","","3892.7","0.8","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Br2 N4 O -","- C20 H18 Br2 N4 O -","- C160 H144 Br16 N32 O8 -","8","1","","Sun, Yuan-Ming; Yu, Liu-Zhu; Zhu, Zi-Zhong; Hu, Xu-Bo; Gao, Yu-Ning; Shi, Min","Electronic halocyclization and radical haloazidation of benzene-linked 1,7-dienes for the synthesis of functionalized 3,1-benzoxazines.","Organic & biomolecular chemistry","2017","15","3","634","639","10.1039/c6ob02566h","","","0.71073","MoKα","","0.0663","0.04","","","0.089","0.0974","","","","","","1.024","","","","has coordinates","191736","2020-10-21","18:00:00",""
"7155416","14.7029","0.0005","5.8234","0.0002","22.2875","0.0007","90","","109.218","0.0017","90","","1801.93","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Muthukumar, Alagesan; Sekar, Govindasamy","Zinc-catalyzed chemoselective alkylation of α-keto amides with 2-alkylazaarenes.","Organic & biomolecular chemistry","2017","15","3","691","700","10.1039/c6ob02432g","","","0.71073","MoKα","","0.0547","0.0364","","","0.0872","0.1006","","","","","","1.029","","","","has coordinates","191737","2020-10-21","18:00:00",""
"7155417","10.6354","0.0007","10.7608","0.0007","11.0786","0.0007","66.546","0.003","66.529","0.002","84.182","0.003","1064.44","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Muthukumar, Alagesan; Sekar, Govindasamy","Zinc-catalyzed chemoselective alkylation of α-keto amides with 2-alkylazaarenes.","Organic & biomolecular chemistry","2017","15","3","691","700","10.1039/c6ob02432g","","","0.71073","MoKα","","0.0554","0.0418","","","0.1052","0.116","","","","","","1.031","","","","has coordinates","191737","2020-10-21","18:00:00",""
"7155418","15.7235","0.0004","7.2386","0.0002","25.4616","0.0007","90","","96.401","0.003","90","","2879.87","0.14","100.01","0.1","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","13-(Trifluoromethyl)benzo[4,5]imidazo[1,2-a][1,10]phenanthroline","","- C19 H10 F3 N3 -","- C19 H10 F3 N3 -","- C152 H80 F24 N24 -","8","2","","Borges da Silva, Ramon; Teixeira, Rodolfo Inêz; Wardell, James L.; Wardell, Solange M. S. V.; Garden, Simon J.","Copper(ii) catalyzed synthesis of novel helical luminescent benzo[4,5]imidazo[1,2-a][1,10]phenanthrolines via an intramolecular C-H amination reaction.","Organic & biomolecular chemistry","2017","15","4","812","826","10.1039/c6ob02508k","","","0.71073","MoKα","","0.0738","0.0532","","","0.1128","0.1223","","","","","","1.062","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7155419","4.7845","0.0014","7.017","0.002","21.72","0.006","90","","92.133","0.004","90","","728.7","0.4","150","","150.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(1-methyl-1H-indol-3-yl)-2-(4-nitrophenyl)acetamide","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C34 H30 N6 O6 -","2","1","","Reekie, Tristan A.; Wilkinson, Shane M.; Law, Vivian; Hibbs, David E.; Ong, Jennifer A.; Kassiou, Michael","Rapid access to N-(indol-2-yl)amides and N-(indol-3-yl)amides as unexplored pharmacophores.","Organic & biomolecular chemistry","2017","15","3","576","580","10.1039/c6ob02622b","","","0.71073","","","0.065","0.0395","","","0.0674","0.0754","","","","","","1.041","","","","has coordinates","191742","2020-10-21","18:00:00",""
"7155420","7.8745","0.0017","19.699","0.004","21.755","0.005","90","","90","","90","","3374.6","1.3","293","2","293","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl N O2 -","- C20 H16 Cl N O2 -","- C160 H128 Cl8 N8 O16 -","8","1","","Chauhan, Parul; Ravi, Makthala; Kant, Ruchir; Yadav, Prem P.","Oxidative coupling of 1-(2-methyl-4-phenylquinolin-3-yl)ethanone with ethanol and unexpected deacetylative synthesis of 3-hydroxy quinoline.","Organic & biomolecular chemistry","2017","15","5","1080","1085","10.1039/c6ob02336c","","","0.71075","MoKα","","0.0728","0.0469","","","0.107","0.1126","","","","","","0.879","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155421","22.805","0.006","8.174","0.002","24","0.006","90","","90","","90","","4474","2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C256 H192 N16 -","8","1","","Inamdar, Suleman M.; Gonnade, Rajesh G.; Patil, Nitin T.","Synthesis of annulated bis-indoles through Au(i)/Brønsted acid-catalyzed reactions of (1H-indol-3-yl)(aryl)methanols with 2-(arylethynyl)-1H-indoles.","Organic & biomolecular chemistry","2017","15","4","863","869","10.1039/c6ob02595a","","","0.71073","MoKα","","0.0886","0.067","","","0.1263","0.1348","","","","","","1.143","","","","has coordinates","191729","2020-10-21","18:00:00",""
"7155422","9.5678","0.0005","12.3013","0.0007","15.5374","0.0009","90","","101.71","0.001","90","","1790.64","0.17","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 I2 N O2 S -","- C15 H19 I2 N O2 S -","- C60 H76 I8 N4 O8 S4 -","4","1","","Wang, Ruijia; OuYang, Yuejun; Xu, Chonghui; Yi, Niannian; Jiang, Jun; Deng, Wei; Zeng, Zebing; Xiang, Jiannan","Hypervalent iodine-triggered transformation of homopropargyl sulfonamides into dihalo-2,3-dihydropyrroles.","Organic & biomolecular chemistry","2017","15","4","796","800","10.1039/c6ob02536f","","","0.71073","MoKα","","0.0257","0.0214","","","0.0511","0.0527","","","","","","1.098","","","","has coordinates","191732","2020-10-21","18:00:00",""
"7155423","14.4101","0.0002","11.66149","0.00018","15.7982","0.0002","90","","105.348","0.0016","90","","2560.1","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 F16 N2 O2 -","- C25 H16 F16 N2 O2 -","- C100 H64 F64 N8 O8 -","4","1","","Emerson-King, Jack; Hauser, Simone A.; Chaplin, Adrian B.","C-F bond activation of perfluorinated arenes by a bioxazoline-derived N-heterocyclic carbene.","Organic & biomolecular chemistry","2017","15","4","787","789","10.1039/c6ob02556k","","x-ray","0.71073","MoKα","","0.0589","0.0447","","","0.1273","0.1414","","","","","","1.035","","","","has coordinates,has disorder","191728","2020-10-21","18:00:00",""
"7155424","10.5528","0.001","18.834","0.0017","8.051","0.0008","90","","110.027","0.002","90","","1503.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N3 O -","- C20 H13 N3 O -","- C80 H52 N12 O4 -","4","1","","Qiao, Rui; Ye, Leping; Hu, Kun; Yu, Shuling; Yang, Weiguang; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Wu, Huayue","Copper-catalyzed C-O bond cleavage and cyclization: synthesis of indazolo[3,2-b]quinazolinones.","Organic & biomolecular chemistry","2017","15","10","2168","2173","10.1039/c6ob02352e","","","0.71073","MoKα","","0.0389","0.0349","","","0.0969","0.0996","","","","","","1.054","","","","has coordinates","195164","2020-10-21","18:00:00",""
"7155425","9.8525","0.001","11.9699","0.0013","12.0037","0.0013","83.402","0.002","88.727","0.002","75.661","0.002","1362.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Cl N4 O5 -","- C31 H27 Cl N4 O5 -","- C62 H54 Cl2 N8 O10 -","2","1","","Zhu, Yan-Shuo; Wang, Wen-Bo; Yuan, Bei-Bei; Li, Ya-Ning; Wang, Qi-Lin; Bu, Zhan-Wei","A DBU-catalyzed Michael-Pinner-isomerization cascade reaction of 3-hydroxyoxindoles with isatylidene malononitriles: access to highly functionalized bispirooxindoles containing a fully substituted dihydrofuran motif.","Organic & biomolecular chemistry","2017","15","4","984","990","10.1039/c6ob02254e","","","0.71073","MoKα","","0.0784","0.0691","","","0.1856","0.1949","","","","","","1.037","","","","has coordinates","191734","2020-10-21","18:00:00",""
"7155426","24.4406","0.0008","4.3182","0.0002","11.0826","0.0004","90","","90","","90","","1169.65","0.08","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Deng, Zhongfu; Peng, Xiangjun; Huang, Panpan; Jiang, Lili; Ye, Dongnai; Liu, Liangxian","A multifunctionalized strategy of indoles to C2-quaternary indolin-3-ones via a TEMPO/Pd-catalyzed cascade process.","Organic & biomolecular chemistry","2017","15","2","442","448","10.1039/c6ob02285e","","","0.71073","MoKα","","0.1002","0.0397","","","0.0557","0.0649","","","","","","0.831","","","","has coordinates","189873","2020-10-21","18:00:00",""
"7155427","9.344","0.003","22.993","0.007","16.649","0.005","90","","90","","90","","3577","1.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2,6-dimethylphenyl)-2-(N-(prop-2-yn-1-yl)acetamido)pentanamide","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C144 H192 N16 O16 -","8","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.1588","0.0763","","","0.1767","0.2355","","","","","","1.001","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155428","7.2997","0.0003","8.7192","0.0003","27.1071","0.0011","90","","97.636","0.001","90","","1710","0.12","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Acetyl-1-(2,6-dimethylphenyl)-6-methyl-3-propyl-3,4-dihydropyrazin-2(1H)-one","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.0708","0.0472","","","0.1161","0.131","","","","","","1.035","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155429","8.2348","0.0007","26.914","0.002","8.2642","0.0007","90","","108.859","0.002","90","","1733.3","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2,6-Dimethylphenyl)-1,4-dimethylpyrazino[2,1-a]isoindole-3,6(2H,4H)-dione","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.0664","0.0532","","","0.1406","0.1508","","","","","","1.07","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155430","14.0741","0.0005","8.4735","0.0003","16.5267","0.0006","90","","115.019","0.001","90","","1785.99","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyl-4-isopropyl-1-methylpyrazino[2,1-a]isoindole-3,6(2H,4H)-dione","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.0499","0.0409","","","0.1019","0.1081","","","","","","1.04","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155431","5.5345","0.0009","10.8618","0.0018","14.707","0.002","90","","99.962","0.007","90","","870.8","0.2","293.15","","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 Br O7 -","- C16 H17 Br O7 -","- C32 H34 Br2 O14 -","2","1","","Li, Ji-Yao; Yu, Ke-Wei; Xie, Chao-Chao; Liu, Yan-Kai","Lactols in an asymmetric aldol-desymmetrization sequence: access to tetrahydro-4H-furo[2,3-b]pyran-2-one and tetrahydro-4H-furo[2,3-b]furan-2-one derivatives.","Organic & biomolecular chemistry","2017","15","6","1407","1417","10.1039/c6ob02420c","","","1.54184","CuKα","","0.041","0.0392","","","0.1042","0.1058","","","","","","1.053","","","","has coordinates","193894","2020-10-21","18:00:00",""
"7155432","6.8501","0.0005","22.11","0.0015","9.826","0.0007","90","","99.315","0.002","90","","1468.58","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 O4 -","- C16 H16 Cl2 O4 -","- C64 H64 Cl8 O16 -","4","1","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0399","0.0336","","","0.0854","0.0899","","","","","","1.027","","","","has coordinates","191748","2020-10-21","18:00:00",""
"7155433","5.945","0.005","18.659","0.005","7.352","0.005","90","0.005","103.111","0.005","90","0.005","794.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 O4 -","- C16 H20 Cl2 O4 -","- C32 H40 Cl4 O8 -","2","0.5","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0313","0.0282","","","0.0675","0.0698","","","","","","1.058","","","","has coordinates","191748","2020-10-21","18:00:00",""
"7155434","11.734","0.005","7.397","0.005","12.645","0.005","90","0.005","107.317","0.005","90","0.005","1047.8","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O5 -","- C23 H32 O5 -","- C46 H64 O10 -","2","1","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0809","0.0591","","","0.1732","0.1932","","","","","","1.049","","","","has coordinates,has disorder","191748","2020-10-21","18:00:00",""
"7155435","8.7034","0.0004","9.1817","0.0004","16.3996","0.0009","92.963","0.003","104.082","0.003","117.611","0.002","1105.57","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C52 H64 O10 -","2","1","","Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam","Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.","Organic & biomolecular chemistry","2017","15","5","1115","1121","10.1039/c6ob02006b","","","0.71073","MoKα","","0.0778","0.072","","","0.1832","0.1857","","","","","","1.124","","","","has coordinates","191748","2020-10-21","18:00:00",""
"7155436","6.9645","0.0014","14.893","0.003","14.57","0.003","90","","101.19","0.03","90","","1482.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Chen, Pengquan; Zhu, Chuanle; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng","Synthesis of 3-azabicyclo[3.1.0]hexane derivatives via palladium-catalyzed cyclopropanation of maleimides with N-tosylhydrazones: practical and facile access to CP-866,087.","Organic & biomolecular chemistry","2017","15","5","1228","1235","10.1039/c6ob02137a","","","0.71073","MoKα","","0.0774","0.0396","","","0.0845","0.1299","","","","","","1.153","","","","has coordinates","191750","2020-10-21","18:00:00",""
"7155437","8.8657","0.0018","11.708","0.002","13.548","0.003","90","","90","","90","","1406.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Chen, Pengquan; Zhu, Chuanle; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng","Synthesis of 3-azabicyclo[3.1.0]hexane derivatives via palladium-catalyzed cyclopropanation of maleimides with N-tosylhydrazones: practical and facile access to CP-866,087.","Organic & biomolecular chemistry","2017","15","5","1228","1235","10.1039/c6ob02137a","","","0.71073","MoKα","","0.0972","0.0585","","","0.1521","0.2084","","","","","","1.04","","","","has coordinates","191750","2020-10-21","18:00:00",""
"7155438","7.25647","0.00018","13.0278","0.0004","17.2343","0.0005","90","","90","","90","","1629.26","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(P)-(+)-2-Aza(6)helicene","(P)-(+)-Benzo(5,6)phenanthro(3,4-h)isoquinoline","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Matsumoto, Arimasa; Yonemitsu, Kento; Ozaki, Hanae; Míšek, Jiří; Starý, Ivo; Stará, Irena G; Soai, Kenso","Reversal of the sense of enantioselectivity between 1- and 2-aza[6]helicenes used as chiral inducers of asymmetric autocatalysis.","Organic & biomolecular chemistry","2017","15","6","1321","1324","10.1039/c6ob02745h","","","1.54187","CuKα","","0.0734","0.0624","","","0.1559","0.1652","","","","","","1.064","","","","has coordinates","193896","2020-10-21","18:00:00",""
"7155439","7.29278","0.00013","12.9794","0.0002","17.3679","0.0003","90","","90","","90","","1643.97","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(M)-(-)-1-Aza(6)helicene","(M)-(-)‒Benzo(5,6)phenanthro(3,4-h)quinoline","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Matsumoto, Arimasa; Yonemitsu, Kento; Ozaki, Hanae; Míšek, Jiří; Starý, Ivo; Stará, Irena G; Soai, Kenso","Reversal of the sense of enantioselectivity between 1- and 2-aza[6]helicenes used as chiral inducers of asymmetric autocatalysis.","Organic & biomolecular chemistry","2017","15","6","1321","1324","10.1039/c6ob02745h","","","1.54187","CuKα","","0.0478","0.0419","","","0.1093","0.1138","","","","","","1.065","","","","has coordinates","193896","2020-10-21","18:00:00",""
"7155440","5.2767","0.0002","8.2192","0.0003","29.2713","0.0011","90","","90","","90","","1269.5","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O3 -","- C15 H13 Br O3 -","- C60 H52 Br4 O12 -","4","1","","Ren, Qiao; Li, Muyao; Yuan, Lujiang","Expeditious assembly of fused dihydropyranones via N-heterocyclic carbene-catalyzed tandem Michael addition/lactonization.","Organic & biomolecular chemistry","2017","15","6","1329","1333","10.1039/c6ob02449a","","","0.71073","MoKα","","0.0244","0.0222","","","0.0501","0.0515","","","","","","1.056","","","","has coordinates","193891","2020-10-21","18:00:00",""
"7155441","19.17","0.003","5.9569","0.001","7.7612","0.0014","90","","90","","90","","886.3","0.3","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","0.71073","MoKα","","0.0344","0.031","","","0.0796","0.0818","","","","","","1.054","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155442","10.0351","0.0011","10.0395","0.0011","10.3718","0.0011","72.048","0.001","81.272","0.001","66.178","0.001","908.92","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cl N O5 S -","- C19 H18 Cl N O5 S -","- C38 H36 Cl2 N2 O10 S2 -","2","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","0.71073","MoKα","","0.0297","0.0275","","","0.0716","0.0731","","","","","","1.056","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155443","12.5262","0.0012","9.5955","0.0009","16.6342","0.0015","90","","93.049","0.003","90","","1996.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl N O6 S2 -","- C18 H18 Cl N O6 S2 -","- C72 H72 Cl4 N4 O24 S8 -","4","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","1.54178","CuKα","","0.073","0.0636","","","0.1779","0.1923","","","","","","1.179","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155444","10.5871","0.0009","17.4471","0.0015","7.3732","0.0006","90","","107.844","0.003","90","","1296.42","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Br Cl N O -","- C13 H15 Br Cl N O -","- C52 H60 Br4 Cl4 N4 O4 -","4","1","","Ning, Yingtang; Fukuda, Tomoya; Ikeda, Hirotaka; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates.","Organic & biomolecular chemistry","2017","15","6","1381","1392","10.1039/c6ob02719a","","","1.54178","CuKα","","0.0601","0.0522","","","0.1254","0.1306","","","","","","1.092","","","","has coordinates","193895","2020-10-21","18:00:00",""
"7155445","16.674","0.003","11.067","0.002","20.438","0.004","90","","107.38","0.03","90","","3599.3","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 B F2 N2 S8 -","- C36 H29 B F2 N2 S8 -","- C144 H116 B4 F8 N8 S32 -","4","1","","Liu, Ping; Gao, Feng; Zhou, Lina; Chen, Yu; Chen, Zhijian","Tetrathienyl-functionalized red- and NIR-absorbing BODIPY dyes appending various peripheral substituents.","Organic & biomolecular chemistry","2017","15","6","1393","1399","10.1039/c6ob02612e","","","0.71073","MoKα","","0.1643","0.0801","","","0.1754","0.2165","","","","","","1.039","","","","has coordinates","193886","2020-10-21","18:00:00",""
"7155446","12.3105","","12.6606","","22.2312","","84.259","","81.474","","77.247","","3333.95","","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C180 H138 Cl2 N2 -","- C180 H138 Cl2 N2 -","- C180 H138 Cl2 N2 -","1","0.5","","Oda, Kazuma; Hiroto, Satoru; Hisaki, Ichiro; Shinokubo, Hiroshi","Synthesis of bright red-emissive dicyanoetheno-bridged hexa-peri-hexabenzocoronene dimers.","Organic & biomolecular chemistry","2017","15","6","1426","1434","10.1039/c6ob02775j","","","0.8","synchrotron","","0.1469","0.0997","","","0.2648","0.3091","","","","","","1.028","","","","has coordinates,has disorder","193890","2020-10-21","18:00:00",""
"7155447","19.0199","0.0008","19.4285","0.0008","23.4411","0.0008","100.927","0.003","104.663","0.003","102.902","0.004","7885.4","0.6","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","2,3-bis(5,8,11,14,17-pentamesitylhexabenzo[bc,ef,hi,kl,no,qr]coronen-2-yl)maleonitrile","","- C204 H173.84 N9.95 O2.53 -","- C204.002 H173.838 N9.946 O2.528 -","- C408.004 H347.676 N19.892 O5.056 -","2","1","","Oda, Kazuma; Hiroto, Satoru; Hisaki, Ichiro; Shinokubo, Hiroshi","Synthesis of bright red-emissive dicyanoetheno-bridged hexa-peri-hexabenzocoronene dimers.","Organic & biomolecular chemistry","2017","15","6","1426","1434","10.1039/c6ob02775j","","","0.71073","MoKα","","0.1786","0.1027","","","0.28","0.3482","","","","","","1.014","","","","has coordinates,has disorder","193890","2020-10-21","18:00:00",""
"7155448","6.0454","0.0006","14.0347","0.0014","7.1416","0.0008","90","","101.033","0.003","90","","594.73","0.11","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N O7 -","- C10 H13 N O7 -","- C20 H26 N2 O14 -","2","1","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.1675","0.1101","","","0.2694","0.3029","","","","","","1.062","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155449","8.1774","0.0004","8.2158","0.0003","15.0345","0.0007","90","","98.231","0.002","90","","999.67","0.08","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 N O6 Si -","- C19 H27 N O6 Si -","- C38 H54 N2 O12 Si2 -","2","1","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.0288","0.0254","","","0.0621","0.0635","","","","","","1.055","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155450","8.2084","0.0014","5.2477","0.0008","24.351","0.004","90","","90.768","0.005","90","","1048.8","0.3","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 N O5 -","- C12 H9 N O5 -","- C48 H36 N4 O20 -","4","2","","Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.","Organic & biomolecular chemistry","2017","15","6","1453","1462","10.1039/c6ob02759h","","x-ray","0.71073","MoKα","","0.1589","0.1518","","","0.3679","0.3717","","","","","","1.159","","","","has coordinates","193889","2020-10-21","18:00:00",""
"7155451","7.9533","0.0006","9.1569","0.0007","11.67","0.0008","83.471","0.004","82.104","0.004","88.025","0.004","836.23","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C42 H44 N4 -","2","1","","Deb, Mohit L.; Borpatra, Paran J.; Saikia, Prakash J.; Baruah, Pranjal K.","Introducing tetramethylurea as a new methylene precursor: a microwave-assisted RuCl3-catalyzed cross dehydrogenative coupling approach to bis(indolyl)methanes.","Organic & biomolecular chemistry","2017","15","6","1435","1443","10.1039/c6ob02671k","","","0.71073","MoKα","","0.1096","0.061","","","0.1701","0.1981","","","","","","1.019","","","","has coordinates","193887","2020-10-21","18:00:00",""
"7155452","12.111","0.0008","10.0955","0.0007","23.0729","0.0016","90","","93.385","0.003","90","","2816.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C144 H128 N16 -","8","2","","Deb, Mohit L.; Borpatra, Paran J.; Saikia, Prakash J.; Baruah, Pranjal K.","Introducing tetramethylurea as a new methylene precursor: a microwave-assisted RuCl3-catalyzed cross dehydrogenative coupling approach to bis(indolyl)methanes.","Organic & biomolecular chemistry","2017","15","6","1435","1443","10.1039/c6ob02671k","","","0.71073","MoKα","","0.0939","0.0546","","","0.15","0.1783","","","","","","1.056","","","","has coordinates","193887","2020-10-21","18:00:00",""
"7155453","14.649","0.003","9.1488","0.0018","13.375","0.003","90","","102.24","0.03","90","","1751.8","0.7","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Li, Yu-Xia; Wang, Qi-Qiang; Yang, Luo","Metal-free decarbonylative alkylation-aminoxidation of styrene derivatives with aliphatic aldehydes and N-hydroxyphthalimide.","Organic & biomolecular chemistry","2017","15","6","1338","1342","10.1039/c7ob00030h","","","0.71073","MoKα","","0.0691","0.0612","","","0.1173","0.1215","","","","","","1.212","","","","has coordinates","193893","2020-10-21","18:00:00",""
"7155454","12.2397","0.0002","7.42711","0.00013","12.5508","0.0002","90","","104.05","0.001","90","","1106.8","0.03","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-3,3-dimethyl-2-((S)-4-((E)-styryl)-1-tosylpyrrolidin-3-ylidene)butanenitrile","","- C9 H13 N3 O5 S -","- C25 H28 N2 O2 S -","- C50 H56 N4 O4 S2 -","2","1","","Amako, Yuka; Arai, Shigeru; Nishida, Atsushi","Transfer of axial chirality through the nickel-catalysed hydrocyanation of chiral allenes.","Organic & biomolecular chemistry","2017","15","7","1612","1617","10.1039/c7ob00047b","","","1.54187","CuKα","","0.0558","0.0403","","","0.0817","0.0971","","","","","","1.087","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155455","19.746","0.008","11.173","0.004","9.393","0.004","90","","90","","90","","2072.3","1.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","González-Rosende, M Eugenia; Castillo, Encarna; Jennings, W. Brian; Malone, John F.","Stereodynamics and edge-to-face CH-π aromatic interactions in imino compounds containing heterocyclic rings.","Organic & biomolecular chemistry","2017","15","6","1484","1494","10.1039/c6ob02618d","","","0.71073","MoKα","","0.0845","0.0461","","","0.0799","0.0932","","","","","","1.045","","","","has coordinates","193884","2020-10-21","18:00:00",""
"7155456","32.437","0.005","7.6263","0.0017","33.681","0.006","90","","98.332","0.014","90","","8244","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 N S -","- C25 H21 N S -","- C400 H336 N16 S16 -","16","2","","González-Rosende, M Eugenia; Castillo, Encarna; Jennings, W. Brian; Malone, John F.","Stereodynamics and edge-to-face CH-π aromatic interactions in imino compounds containing heterocyclic rings.","Organic & biomolecular chemistry","2017","15","6","1484","1494","10.1039/c6ob02618d","","","0.71073","MoKα","","0.1883","0.0751","","","0.1764","0.2394","","","","","","0.992","","","","has coordinates","193884","2020-10-21","18:00:00",""
"7155457","9.5682","0.001","9.6574","0.001","14.765","0.0015","88.829","0.002","86.829","0.002","76.122","0.002","1322.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Cl N O -","- C3.29412 Cl0.235294 N0.235294 O0.705882 -","- C56 Cl4 N4 O12 -","17","8.5","","Zhang, Lin; Xiao, Pin; Guan, Xiaoxue; Huang, Zhouliang; Zhang, Jingping; Bi, Xihe","Silver-mediated radical coupling reaction of isocyanides and alcohols/phenols in the presence of water: unprecedented hydration and radical coupling reaction sequence.","Organic & biomolecular chemistry","2017","15","7","1580","1583","10.1039/c7ob00019g","","","0.71073","MoKα","","0.1771","0.1424","","","0.3505","0.3979","","","","","","2.407","","","","has coordinates","193899","2020-10-21","18:00:00",""
"7155458","5.407","","7.782","","16.311","","96.51","","95.82","","90.74","","678.175","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7.5 H7 Cl0.5 N0.5 O1.5 -","- C15 Cl N O3 -","- C30 Cl2 N2 O6 -","2","1","","Zhang, Lin; Xiao, Pin; Guan, Xiaoxue; Huang, Zhouliang; Zhang, Jingping; Bi, Xihe","Silver-mediated radical coupling reaction of isocyanides and alcohols/phenols in the presence of water: unprecedented hydration and radical coupling reaction sequence.","Organic & biomolecular chemistry","2017","15","7","1580","1583","10.1039/c7ob00019g","","","0.71073","MoKα","","0.1285","0.117","","","0.3289","0.3514","","","","","","2.536","","","","has coordinates","193899","2020-10-21","18:00:00",""
"7155459","7.6713","0.0019","20.094","0.005","10.598","0.003","90","","94.855","0.004","90","","1627.8","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Br N2 O2 -","- C16 Br N2 O2 -","- C64 Br4 N8 O8 -","4","1","","Zhang, Lin; Xiao, Pin; Guan, Xiaoxue; Huang, Zhouliang; Zhang, Jingping; Bi, Xihe","Silver-mediated radical coupling reaction of isocyanides and alcohols/phenols in the presence of water: unprecedented hydration and radical coupling reaction sequence.","Organic & biomolecular chemistry","2017","15","7","1580","1583","10.1039/c7ob00019g","","","0.71073","MoKα","","0.0981","0.0654","","","0.1837","0.2049","","","","","","1.227","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155460","7.617","0.012","10.617","0.017","11.452","0.018","64.336","0.015","72.042","0.017","88.506","0.018","788","2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C42 H26 N6 O4 -","2","1","","Guo, Shenghai; Zhai, Jianhui; Fan, Xuesen","An I2-mediated cascade reaction of 2'-bromoacetophenones with benzohydrazides/benzamides leading to quinazolino[3,2-b]cinnoline or tryptanthrin derivatives.","Organic & biomolecular chemistry","2017","15","6","1521","1529","10.1039/c6ob02699k","","","0.71073","MoKα","","0.0871","0.0682","","","0.125","0.1672","","","","","","1.053","","","","has coordinates","193885","2020-10-21","18:00:00",""
"7155461","7.993","0.004","12.54","0.005","10.604","0.004","90","","102.751","0.008","90","","1036.7","0.8","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-(6-Methoxybenzofuran-2-yl)-2-nitroethanol","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","2","","Chen, Wei; Zhou, Zhao-Hui; Chen, Hong-Bin","Efficient synthesis of chiral benzofuryl β-amino alcohols via a catalytic asymmetric Henry reaction.","Organic & biomolecular chemistry","2017","15","6","1530","1536","10.1039/c6ob02569b","","","0.71073","MoKα","","0.0865","0.0657","","","0.1411","0.1532","","","","","","1.015","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155462","5.5571","0.0002","5.6305","0.0002","32.3624","0.001","90","","90","","90","","1012.6","0.06","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Chloride substitute","(S)-1-(5-Chlorobenzofuran-2-yl)-2-nitroethanol","","- C10 H8 Cl N O4 -","- C10 H8 Cl N O4 -","- C40 H32 Cl4 N4 O16 -","4","1","","Chen, Wei; Zhou, Zhao-Hui; Chen, Hong-Bin","Efficient synthesis of chiral benzofuryl β-amino alcohols via a catalytic asymmetric Henry reaction.","Organic & biomolecular chemistry","2017","15","6","1530","1536","10.1039/c6ob02569b","","","1.54184","CuKα","","0.0232","0.0217","","","0.0544","0.0549","","","","","","1.046","","","","has coordinates","193888","2020-10-21","18:00:00",""
"7155463","26.2548","0.0011","9.6138","0.0006","17.4876","0.0007","90","","103.593","0.004","90","","4290.4","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-((R)-phenyl((S)-3-phenylmorpholino)methyl)naphthalen-2-ol","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C216 H200 N8 O16 -","8","1","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.0782","0.053","","","0.1118","0.1267","","","","","","1.079","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155464","13.4796","0.0007","23.9065","0.0012","6.3744","0.0003","90","","90","","90","","2054.15","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-((R)-phenyl((R)-2-phenylpyrrolidin-1-yl)methyl)naphthalen-2-ol","","- C27 H25 N O -","- C27 H25 N O -","- C108 H100 N4 O4 -","4","1","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.0592","0.0463","","","0.0771","0.0825","","","","","","1.127","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155465","9.8047","0.0015","11.9575","0.0013","16.3809","0.0017","90","","97.122","0.008","90","","1905.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(7aS,10R,12R)-10-isopropyl-12-phenyl-8,9,10,12-tetrahydro-7aH-naphtho[1,2-e]pyrrolo[2,1-b][1,3]oxazine","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.19","0.0761","","","0.1392","0.1791","","","","","","1.057","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155466","7.941","0.0004","32.3062","0.0015","17.2176","0.0008","90","","95.624","0.005","90","","4395.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(7aS,11R,13R)-11-benzyl-13-phenyl-7a,8,9,10,11,13-hexahydronaphtho[1,2-e]pyrido[2,1-b][1,3]oxazine","","- C29 H27 N O -","- C29 H27 N O -","- C232 H216 N8 O8 -","8","2","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.1007","0.0617","","","0.1393","0.1658","","","","","","1.042","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155467","10.415","0.002","11.469","0.002","15.047","0.003","90","","90","","90","","1797.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br N O5 -","- C19 H16 Br N O5 -","- C76 H64 Br4 N4 O20 -","4","1","","Manoni, Francesco; Farid, Umar; Trujillo, Cristina; Connon, Stephen J.","Catalytic asymmetric Tamura cycloadditions involving nitroalkenes.","Organic & biomolecular chemistry","2017","15","6","1463","1474","10.1039/c6ob02637k","","","0.71073","MoKα","","0.0448","0.0422","","","0.1096","0.1249","","","","","","0.885","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155468","4.8942","0.0004","13.6964","0.001","14.1713","0.0012","90","","90","","90","","949.94","0.13","294.44","0.1","294.44","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C52 H32 O8 -","4","1","","Tang, Jing; Zhao, Shijun; Wei, Yuanyuan; Quan, Zhengjun; Huo, Congde","CBr4 promoted intramolecular aerobic oxidative dehydrogenative arylation of aldehydes: application in the synthesis of xanthones and fluorenones.","Organic & biomolecular chemistry","2017","15","7","1589","1592","10.1039/c7ob00080d","","x-ray","0.71073","MoKα","","0.1181","0.0552","","","0.0992","0.1262","","","","","","1.06","","","","has coordinates","193898","2020-10-21","18:00:00",""
"7155469","16.0871","0.0008","12.5495","0.0006","18.6772","0.0009","90","","90","","90","","3770.6","0.3","294.44","0.1","294.44","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H8 O -","- C13 H8 O -","- C208 H128 O16 -","16","2","","Tang, Jing; Zhao, Shijun; Wei, Yuanyuan; Quan, Zhengjun; Huo, Congde","CBr4 promoted intramolecular aerobic oxidative dehydrogenative arylation of aldehydes: application in the synthesis of xanthones and fluorenones.","Organic & biomolecular chemistry","2017","15","7","1589","1592","10.1039/c7ob00080d","","x-ray","0.71073","MoKα","","0.1424","0.0677","","","0.1485","0.1972","","","","","","1.053","","","","has coordinates","193898","2020-10-21","18:00:00",""
"7155470","16.8632","0.0005","5.6827","0.0002","20.8486","0.0006","90","","100.486","0.001","90","","1964.52","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-benzyl-4-methyl-N-(1-phenyl-1H-pyrazol-4-yl)benzenesulfonamide","","- C23 H21 N3 O2 S -","- C23 H21 N3 O2 S -","- C92 H84 N12 O8 S4 -","4","1","","Wezeman, T.; Comas-Barceló, J; Nieger, M.; Harrity, J. P. A.; Bräse, S","Synthesis of aminopyrazoles from sydnones and ynamides.","Organic & biomolecular chemistry","2017","15","7","1575","1579","10.1039/c6ob02518h","","","1.54178","CuKα","","0.043","0.0353","","","0.0832","0.087","","","","","","1.041","","","","has coordinates","193897","2020-10-21","18:00:00",""
"7155471","5.9736","0.0003","9.6554","0.0005","19.0149","0.0009","83.76","0.002","86.84","0.002","77.757","0.002","1064.86","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","N-benzyl-4-methyl-N-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)benzenesulfonamide","","- C24 H20 F3 N3 O2 S -","- C24 H20 F3 N3 O2 S -","- C48 H40 F6 N6 O4 S2 -","2","1","","Wezeman, T.; Comas-Barceló, J; Nieger, M.; Harrity, J. P. A.; Bräse, S","Synthesis of aminopyrazoles from sydnones and ynamides.","Organic & biomolecular chemistry","2017","15","7","1575","1579","10.1039/c6ob02518h","","","1.54178","CuKα","","0.0436","0.0379","","","0.0907","0.0941","","","","","","1.026","","","","has coordinates,has disorder","193897","2020-10-21","18:00:00",""
"7155472","11.611","0.003","7.436","0.002","20.143","0.006","90","","95.124","0.004","90","","1732.2","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl N2 O3 Rh -","- C17 H14 Cl N2 O3 Rh -","- C68 H56 Cl4 N8 O12 Rh4 -","4","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0459","0.0368","","","0.1014","0.1267","","","","","","1.113","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155473","7.875","0.002","16.458","0.004","12.568","0.003","90","","100.553","0.003","90","","1601.3","0.7","193","2","193","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H12 Cl N2 O2 Rh -","- C16 H12 Cl N2 O2 Rh -","- C64 H48 Cl4 N8 O8 Rh4 -","4","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0579","0.042","","","0.0827","0.0896","","","","","","1.089","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155474","10.436","0.003","12","0.003","14.96","0.004","82.159","0.008","89.752","0.009","66.314","0.006","1697","0.8","123.2","","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H7 Cl F5 N2 O2 Rh -","- C16 H7 Cl F5 N2 O2 Rh -","- C64 H28 Cl4 F20 N8 O8 Rh4 -","4","2","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0393","0.0296","","","0.0571","0.0596","","","","","","0.875","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155475","7.168","0.004","9.002","0.005","15.02","0.008","76.479","0.014","80.476","0.018","81.147","0.016","922.6","0.9","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H11 Cl F3 N2 O2 Rh -","- C19 H11 Cl F3 N2 O2 Rh -","- C38 H22 Cl2 F6 N4 O4 Rh2 -","2","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0556","0.0446","","","0.1025","0.1097","","","","","","1.01","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155476","8.144","0.002","9.039","0.003","9.707","0.003","97.961","0.002","106.05","0.004","95.085","0.003","674","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N2 O Se -","- C15 H14 N2 O Se -","- C30 H28 N4 O2 Se2 -","2","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0367","0.033","","","0.0817","0.0828","","","","","","1","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155477","7.0475","0.0015","9.2569","0.0018","14.015","0.003","95.006","0.002","104.313","0.0019","101.011","0.003","860.9","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl N2 O2 Rh -","- C18 H12 Cl N2 O2 Rh -","- C36 H24 Cl2 N4 O4 Rh2 -","2","1","","Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki","Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.","Organic & biomolecular chemistry","2017","15","8","1810","1820","10.1039/c6ob02827f","","","0.71075","MoKα","","0.0308","0.0283","","","0.0716","0.0727","","","","","","1.009","","","","has coordinates","193881","2020-10-21","18:00:00",""
"7155478","5.9842","0.0001","9.104","0.0002","16.0223","0.0003","90","","90","","90","","872.9","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Li, Ke; Wang, Juxiang; Wu, Kailin; Zheng, Daijun; Zhou, Xiaojian; Han, Wenyong; Wan, Nanwei; Cui, Baodong; Chen, Yongzheng","Enantioselective synthesis of 1,2,3,4-tetrahydroquinoline-4-ols and 2,3-dihydroquinolin-4(1H)-ones via a sequential asymmetric hydroxylation/diastereoselective oxidation process using Rhodococcus equi ZMU-LK19.","Organic & biomolecular chemistry","2017","15","17","3580","3584","10.1039/c7ob00151g","","","1.54178","CuKα","","0.0388","0.0387","","","0.1036","0.1036","","","","","","1.099","","","","has coordinates","196502","2020-10-21","18:00:00",""
"7155479","9.785","0.002","11.295","0.002","11.879","0.002","90","","97.63","0.03","90","","1301.3","0.4","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C52 H60 N4 O24 -","4","2","","Tan, Song Wei Benjamin; Chai, Christina L. L.; Moloney, Mark G.","Mimics of pramanicin derived from pyroglutamic acid and their antibacterial activity.","Organic & biomolecular chemistry","2017","15","8","1889","1912","10.1039/c6ob02828d","","","0.71073","MoKα","","0.0449","0.0438","","","0.1073","0.1085","","","","","","1.071","","","","has coordinates","193882","2020-10-21","18:00:00",""
"7155480","7.4743","0.0015","9.2516","0.0019","10.829","0.002","90","","92.25","0.03","90","","748.2","0.3","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O6 -","- C15 H16 N2 O6 -","- C30 H32 N4 O12 -","2","1","","Tan, Song Wei Benjamin; Chai, Christina L. L.; Moloney, Mark G.","Mimics of pramanicin derived from pyroglutamic acid and their antibacterial activity.","Organic & biomolecular chemistry","2017","15","8","1889","1912","10.1039/c6ob02828d","","","0.71073","MoKα","","0.0327","0.0322","","","0.0845","0.0853","","","","","","1.055","","","","has coordinates","193882","2020-10-21","18:00:00",""
"7155481","8.8691","0.0004","9.8046","0.0005","12.4019","0.0006","99.836","0.002","102.889","0.002","94.239","0.002","1028.75","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C50 H44 N4 O4 S2 -","2","1","","Kumar Boominathan, Siva Senthil; Reddy, Mutra Mohana; Hou, Ruei-Jhih; Chen, Hui-Fen; Wang, Jeh-Jeng","A simple and efficient method for constructing azepino[4,5-b]indole derivatives via acid catalysis.","Organic & biomolecular chemistry","2017","15","8","1872","1875","10.1039/c6ob02722a","","x-ray","0.71073","MoKα","","0.0455","0.038","","","0.1037","0.1117","","","","","","1","","","","has coordinates","193883","2020-10-21","18:00:00",""
"7155482","13.8738","0.0004","16.4725","0.0005","7.3033","0.0002","90","","105.255","0.0016","90","","1610.26","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C68 H96 Br4 N4 O8 -","4","1","","Hazarika, Nabajyoti; Sarmah, Barnali; Bordoloi, Manobjyoti; Phukan, Prodeep; Baishya, Gakul","Diastereoselective synthesis of tetrahydropyrans via Prins-Ritter and Prins-arylthiolation cyclization reactions.","Organic & biomolecular chemistry","2017","15","9","2003","2012","10.1039/c6ob02692c","","","0.71073","MoKα","","0.0259","0.0214","","","0.0756","0.0813","","","","","","0.697","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155483","11.751","0.005","12.712","0.005","13.46","0.005","89.482","0.005","68.529","0.005","73.872","0.005","1787.8","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N2 O4 -","- C46 H36 N2 O4 -","- C92 H72 N4 O8 -","2","1","","Suman, Koorathota; Ramanjaneyulu, Mala; Thennarasu, Sathiah","Diastereoselective tandem oxidation/Michael/aldol reaction: unprecedented formation of dispirocyclopentanebisoxindoles and dispiro[acenaphthylene-1,1'-cyclopentane-3',1''-acenaphthylene]-2,2''diones.","Organic & biomolecular chemistry","2017","15","9","1961","1964","10.1039/c6ob02607a","","","0.71073","MoKα","","0.1185","0.0497","","","0.1188","0.1568","","","","","","1.006","","","","has coordinates","193902","2020-10-21","18:00:00",""
"7155484","4.673","0.004","7.018","0.006","13.709","0.012","77.037","0.011","86.712","0.011","86.883","0.012","437","0.7","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","1","0.5","","Matsubara, Ryosuke; Eguchi, Shuhei; Ando, Akihiro; Hayashi, Masahiko","Synthesis of alkynyl furoxans. Rare carbon-carbon bond-forming reaction on a furoxan ring.","Organic & biomolecular chemistry","2017","15","9","1965","1969","10.1039/c7ob00181a","","","0.71069","MoKα","","","0.0438","","","","0.1345","","","","","","0.684","","","","has coordinates","193904","2020-10-21","18:00:00",""
"7155485","11.05","0.016","15.17","0.02","18.83","0.03","90","","90","","90.198","0.018","3156","8","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N5 O2 -","- C17.75 H15 N5.25 O2 -","- C142 H120 N42 O16 -","8","4","","Matsubara, Ryosuke; Eguchi, Shuhei; Ando, Akihiro; Hayashi, Masahiko","Synthesis of alkynyl furoxans. Rare carbon-carbon bond-forming reaction on a furoxan ring.","Organic & biomolecular chemistry","2017","15","9","1965","1969","10.1039/c7ob00181a","","","0.71069","MoKα","","","0.1137","","","","0.2802","","","","","","0.875","","","","has coordinates","193904","2020-10-21","18:00:00",""
"7155486","9.02","0.004","10.237","0.004","9.318","0.004","90","","117.399","0.006","90","","763.9","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Mukherjee, Subrata; Joseph, Sumi; Bhunia, Anup; Gonnade, Rajesh G.; Yetra, Santhivardhana Reddy; Biju, Akkattu T.","Enantioselective synthesis of spiro γ-butyrolactones by N-heterocyclic carbene (NHC)-catalyzed formal [3 + 2] annulation of enals with 3-hydroxy oxindoles.","Organic & biomolecular chemistry","2017","15","9","2013","2019","10.1039/c7ob00148g","","","0.71073","MoKα","","0.0691","0.0457","","","0.1121","0.135","","","","","","1.122","","","","has coordinates","193908","2020-10-21","18:00:00",""
"7155487","15.0818","0.0003","5.9952","0.0001","18.5272","0.0004","90","","102.281","0.002","90","","1636.86","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Fluoro-3-hydroxy-1,3,3-triphenylpropan-1-one","","- C21 H17 F O2 -","- C21 H17 F O2 -","- C84 H68 F4 O8 -","4","1","","Naveen, Naganaboina; Balamurugan, Rengarajan","Catalyst free synthesis of α-fluoro-β-hydroxy ketones/α-fluoro-ynols via electrophilic fluorination of tertiary propargyl alcohols using Selectfluor™ (F-TEDA-BF4).","Organic & biomolecular chemistry","2017","15","9","2063","2072","10.1039/c7ob00140a","","","1.54184","CuKα","","0.0472","0.0424","","","0.1172","0.1223","","","","","","1.046","","","","has coordinates","193905","2020-10-21","18:00:00",""
"7155488","4.87924","0.00005","14.43858","0.00015","20.3657","0.0002","90","","90","","90","","1434.75","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Verhasselt, Sigrid; Roman, Bart I.; De Wever, Olivier; Van Hecke, Kristof; Van Deun, Rik; Bracke, Marc E.; Stevens, Christian V.","Discovery of (S)-3'-hydroxyblebbistatin and (S)-3'-aminoblebbistatin: polar myosin II inhibitors with superior research tool properties.","Organic & biomolecular chemistry","2017","15","9","2104","2118","10.1039/c7ob00006e","","x-ray","1.54184","CuKα","","0.0538","0.0477","","","0.1217","0.1282","","","","","","1.033","","","","has coordinates","193906","2020-10-21","18:00:00",""
"7155489","4.88084","0.00006","14.45507","0.00015","20.3743","0.0002","90","","90","","90","","1437.47","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Verhasselt, Sigrid; Roman, Bart I.; De Wever, Olivier; Van Hecke, Kristof; Van Deun, Rik; Bracke, Marc E.; Stevens, Christian V.","Discovery of (S)-3'-hydroxyblebbistatin and (S)-3'-aminoblebbistatin: polar myosin II inhibitors with superior research tool properties.","Organic & biomolecular chemistry","2017","15","9","2104","2118","10.1039/c7ob00006e","","x-ray","1.54184","CuKα","","0.0527","0.0498","","","0.1346","0.1386","","","","","","1.074","","","","has coordinates","193906","2020-10-21","18:00:00",""
"7155490","9.4223","0.0006","20.649","0.0013","10.9082","0.0008","90","","105.964","0.0019","90","","2040.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C92 H108 N4 O16 S4 -","4","1","","Rong, Zhouting; Echavarren, Antonio M.","Broad scope gold(i)-catalysed polyenyne cyclisations for the formation of up to four carbon-carbon bonds.","Organic & biomolecular chemistry","2017","15","10","2163","2167","10.1039/c7ob00235a","","","0.71073","MoKα","","0.051","0.0426","","","0.1059","0.1111","","","","","","1.046","","","","has coordinates","195168","2020-10-21","18:00:00",""
"7155491","9.8767","0.0014","23.638","0.003","8.6175","0.0012","90","","102.363","0.004","90","","1965.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C92 H108 N4 O20 -","4","1","","Rong, Zhouting; Echavarren, Antonio M.","Broad scope gold(i)-catalysed polyenyne cyclisations for the formation of up to four carbon-carbon bonds.","Organic & biomolecular chemistry","2017","15","10","2163","2167","10.1039/c7ob00235a","","","0.71073","MoKα","","0.053","0.0482","","","0.1255","0.1284","","","","","","1.127","","","","has coordinates","195168","2020-10-21","18:00:00",""
"7155492","14.5068","0.0011","16.0241","0.0012","7.276","0.0005","90","","96.491","0.001","90","","1680.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 F6 -","- C24 H12 F6 -","- C96 H48 F24 -","4","1","","Yamada, Shigeyuki; Kinoshita, Keita; Iwama, Shota; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko; Yamamoto, Kyoko; Tahara, Shinya","Synthesis of perfluoroalkylated pentacenes and evaluation of their fundamental physical properties.","Organic & biomolecular chemistry","2017","15","12","2522","2535","10.1039/c7ob00043j","","","0.71073","MoKα","","0.0767","0.0482","","","0.1377","0.1575","","","","","","0.999","","","","has coordinates","195181","2020-10-21","18:00:00",""
"7155493","16.244","0.006","11.619","0.004","12.748","0.005","90","","73.966","0.006","90","","2312.4","1.5","123.15","","123.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H8 F20 -","- C23 H8 F20 -","- C92 H32 F80 -","4","1","","Yamada, Shigeyuki; Kinoshita, Keita; Iwama, Shota; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko; Yamamoto, Kyoko; Tahara, Shinya","Synthesis of perfluoroalkylated pentacenes and evaluation of their fundamental physical properties.","Organic & biomolecular chemistry","2017","15","12","2522","2535","10.1039/c7ob00043j","","","0.710747","MoKα","","0.0807","0.0579","","","0.1249","0.1384","","","","","","1.05","","","","has coordinates","195181","2020-10-21","18:00:00",""
"7155494","7.8393","0.0009","10.8367","0.0012","17.382","0.002","90","","94.666","0.005","90","","1471.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.5 H20 Cl N O2 -","- C15.5 H20 Cl N O2 -","- C62 H80 Cl4 N4 O8 -","4","1","","Yang, Yanxin; Yan, Linfan; Xie, Qinyu; Liang, Qiuming; Song, Datong","Zwitterionic indenylammonium with carbon-centred reactivity towards reversible CO2 binding and catalytic reduction.","Organic & biomolecular chemistry","2017","15","10","2240","2245","10.1039/c7ob00364a","","","0.71073","MoKα","","0.1588","0.0664","","","0.1285","0.1635","","","","","","1.012","","","","has coordinates","195167","2020-10-21","18:00:00",""
"7155495","6.3758","0.0004","12.4522","0.0007","14.7628","0.001","90","0.005","79.702","0.006","90","0.005","1153.18","0.13","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N3 O2 -","- C14 H9 N3 O2 -","- C56 H36 N12 O8 -","4","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.1536","0.0678","","","0.1177","0.1505","","","","","","1.045","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155496","9.5475","0.0013","4.7592","0.0005","12.4973","0.0018","90","","103.477","0.013","90","","552.22","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C28 H18 Cl2 N4 -","2","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.0629","0.0454","","","0.0953","0.1085","","","","","","1.01","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155497","3.8983","0.0005","26.209","0.003","11.0333","0.0011","90","","96.286","0.011","90","","1120.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.2615","0.1109","","","0.2407","0.3247","","","","","","0.967","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155498","16.0372","0.0012","3.9616","0.0003","18.8895","0.0014","90","0.005","101.354","0.006","90","0.005","1176.62","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.1164","0.0547","","","0.111","0.1419","","","","","","1.03","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155499","3.9286","0.0004","11.3555","0.0015","13.3245","0.0015","78.536","0.011","83.012","0.009","81.083","0.01","572.98","0.12","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 N3 O2 -","- C14 H9 N3 O2 -","- C28 H18 N6 O4 -","2","1","","Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay","Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.","Organic & biomolecular chemistry","2017","15","10","2259","2268","10.1039/c7ob00122c","","","0.71073","MoKα","","0.1494","0.0664","","","0.1224","0.1694","","","","","","1.026","","","","has coordinates","195165","2020-10-21","18:00:00",""
"7155500","9.5607","0.0009","10.284","0.001","10.9413","0.001","100.114","0.004","114.21","0.004","102.16","0.004","916.8","0.16","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","2-Methoxy-4'-phenyl-[1,1':2',1''-terphenyl]-3'-ol (9d)","","- C25 H20 O2 -","- C25 H20 O2 -","- C50 H40 O4 -","2","1","","Maezono, Shizuka Mei Bautista; Poudel, Tej Narayan; Lee, Yong Rok","One-pot construction of sterically challenging and diverse polyarylphenols via transition-metal-free benzannulation and their potent in vitro antioxidant activity.","Organic & biomolecular chemistry","2017","15","9","2052","2062","10.1039/c7ob00078b","","","0.71073","MoKα","","0.0621","0.0429","","","0.1164","0.1258","","","","","","1.069","","","","has coordinates","193907","2020-10-21","18:00:00",""
"7155501","9.688","0.0003","21.3581","0.0008","14.0274","0.0005","90","","106.82","0.001","90","","2778.34","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Br N5 O9 -","- C25 H24 Br N5 O9 -","- C100 H96 Br4 N20 O36 -","4","1","","Yang, Jieru; Zhou, Xiaofan; Zeng, Yu; Huang, Chaoqian; Xiao, Yuanjing; Zhang, Junliang","Divergent synthesis from reactions of 2-trifluoromethyl-1,3-conjugated enynes with N-acetylated 2-aminomalonates.","Organic & biomolecular chemistry","2017","15","10","2253","2258","10.1039/c6ob02749k","","","0.71073","MoKα","","0.0676","0.0443","","","0.1076","0.1217","","","","","","1.032","","","","has coordinates","195166","2020-10-21","18:00:00",""
"7155502","16.88","0.003","7.9527","0.0015","21.255","0.004","90","","90","","90","","2853.3","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl2 N O3 -","- C14 H11 Cl2 N O3 -","- C112 H88 Cl16 N8 O24 -","8","1","","Xu, Guangyang; Liu, Kai; Dai, Zhenya; Sun, Jiangtao","Gold/silver-catalyzed controllable regioselective vinylcarbene insertion into O-H bonds.","Organic & biomolecular chemistry","2017","15","11","2345","2348","10.1039/c7ob00338b","","","0.71073","MoKα","","0.0498","0.0336","","","0.0791","0.0897","","","","","","1.032","","","","has coordinates","195172","2020-10-21","18:00:00",""
"7155503","5.6319","0.0014","11.918","0.003","14.202","0.004","80.529","0.006","81.438","0.006","78.19","0.006","913.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","","Xu, Guangyang; Liu, Kai; Dai, Zhenya; Sun, Jiangtao","Gold/silver-catalyzed controllable regioselective vinylcarbene insertion into O-H bonds.","Organic & biomolecular chemistry","2017","15","11","2345","2348","10.1039/c7ob00338b","","","0.71073","MoKα","","0.0898","0.0601","","","0.1936","0.2489","","","","","","1.018","","","","has coordinates","195172","2020-10-21","18:00:00",""
"7155504","9.8839","0.0004","9.9233","0.0004","13.1134","0.0005","109.219","0.004","93.721","0.003","115.017","0.004","1068.78","0.09","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 B Fe N O4 -","- C24 H28 B Fe N O4 -","- C48 H56 B2 Fe2 N2 O8 -","2","1","","Goggins, Sean; Apsey, Ellen A.; Mahon, Mary F.; Frost, Christopher G.","Ratiometric electrochemical detection of hydrogen peroxide and glucose.","Organic & biomolecular chemistry","2017","15","11","2459","2466","10.1039/c7ob00211d","","","1.54184","CuKα","","0.0439","0.0421","","","0.1088","0.1112","","","","","","1.033","","","","has coordinates","195173","2020-10-21","18:00:00",""
"7155505","7.8685","0.0004","15.9375","0.0007","10.112","0.0004","90","","102.539","0.005","90","","1237.84","0.1","295","2","295","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","dimethyl 2-((4-nitrophenyl)amino)malonate","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C44 H48 N8 O24 -","4","1","","Ramakrishna, Kankanala; Sivasankar, Chinnappan","Iridium catalyzed acceptor/acceptor carbene insertion into N-H bonds in water.","Organic & biomolecular chemistry","2017","15","11","2392","2396","10.1039/c7ob00177k","","","0.71073","MoKα","","0.0665","0.047","","","0.1224","0.1374","","","","","","1.038","","","","has coordinates","195176","2020-10-21","18:00:00",""
"7155506","8.496","0.006","11.107","0.008","9.921","0.007","90","","95.155","0.012","90","","932.4","1.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C44 H46 N6 O4 -","2","1","","Li, X.; Reeder, A. T.; Torri, F.; Adams, H.; Jones, S.","Mechanistic investigations of the asymmetric hydrosilylation of ketimines with trichlorosilane reveals a dual activation model and an organocatalyst with enhanced efficiency.","Organic & biomolecular chemistry","2017","15","11","2422","2435","10.1039/c6ob02537d","","","0.71073","MoKα","","0.064","0.0412","","","0.0819","0.0888","","","","","","1.022","","","","has coordinates","195175","2020-10-21","18:00:00",""
"7155507","25.356","0.003","6.9395","0.0009","7.4967","0.0011","90","","90","","90","","1319.1","0.3","123.15","","123.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","0.5","","Jeppesen, Anne; Nielsen, Bjarne E.; Larsen, Dennis; Akselsen, Olivia M.; Sølling, Theis I; Brock-Nannestad, Theis; Pittelkow, Michael","Croconamides: a new dual hydrogen bond donating motif for anion recognition and organocatalysis.","Organic & biomolecular chemistry","2017","15","13","2784","2790","10.1039/c7ob00441a","","","0.71073","MoKα","","0.1037","0.0898","","","0.2118","0.2207","","","","","","1.092","","","","has coordinates","195169","2020-10-21","18:00:00",""
"7155508","20.0339","0.0013","8.9046","0.0007","13.8902","0.001","90","","122.816","0.002","90","","2082.5","0.3","123","","123.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H8 F12 N2 O3 -","- C21 H8 F12 N2 O3 -","- C84 H32 F48 N8 O12 -","4","1","","Jeppesen, Anne; Nielsen, Bjarne E.; Larsen, Dennis; Akselsen, Olivia M.; Sølling, Theis I; Brock-Nannestad, Theis; Pittelkow, Michael","Croconamides: a new dual hydrogen bond donating motif for anion recognition and organocatalysis.","Organic & biomolecular chemistry","2017","15","13","2784","2790","10.1039/c7ob00441a","","","0.71073","MoKα","","0.057","0.0466","","","0.1179","0.1254","","","","","","1.053","","","","has coordinates,has disorder","195169","2020-10-21","18:00:00",""
"7155509","6.9949","0.0009","10.2229","0.0014","15.438","0.002","90","","95.443","0.003","90","","1099","0.3","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N O S -","- C28 H25 N O S -","- C56 H50 N2 O2 S2 -","2","1","","Zhang, Xuxue; Wu, Mingsheng; Zhang, Juan; Cao, Song","Synthesis of N,N-disubstituted 2-aminothiophenes by the cyclization of gem-difluoroalkenes with β-keto thioamides.","Organic & biomolecular chemistry","2017","15","11","2436","2442","10.1039/c7ob00368d","","","0.71073","MoKα","","0.0499","0.0367","","","0.0801","0.0862","","","","","","1.023","","","","has coordinates","195174","2020-10-21","18:00:00",""
"7155510","5.6825","0.0003","14.2013","0.0007","11.4613","0.0006","90","","94.933","0.002","90","","921.49","0.08","150","2","150","2","","","","","","","Sarcophyton stellatum","3","P 1 21 1","P 2yb","4","","(‒)-(2R,7R,8R)-Sarcophytoxide","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Rahelivao, Marie Pascaline; Lübken, Tilo; Gruner, Margit; Kataeva, Olga; Ralambondrahety, Rahanira; Andriamanantoanina, Hanta; Checinski, Marek P.; Bauer, Ingmar; Knölker, Hans-Joachim","Isolation and structure elucidation of natural products of three soft corals and a sponge from the coast of Madagascar.","Organic & biomolecular chemistry","2017","15","12","2593","2608","10.1039/c7ob00191f","","","1.54178","CuKα","","0.0265","0.0264","","","0.0747","0.0747","","","","","","1.048","","","","has coordinates","195180","2020-10-21","18:00:00",""
"7155511","11.8164","0.0018","9.2321","0.0011","11.9043","0.0019","90","","110.492","0.003","90","","1216.5","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O3 S -","- C12 H14 O3 S -","- C48 H56 O12 S4 -","4","2","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0578","0.0414","","","0.0967","0.1063","","","","","","1.068","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155512","7.8117","0.001","12.6388","0.0016","16.816","0.002","90","","90","","90","","1660.3","0.4","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0476","0.0352","","","0.0775","0.0819","","","","","","1.051","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155513","7.8064","0.0014","12.6377","0.0019","16.783","0.003","90","","90","","90","","1655.7","0.5","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0619","0.0401","","","0.0826","0.0895","","","","","","1.043","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155514","7.5086","0.0002","20.531","0.0005","20.0462","0.0005","90","","97.9726","0.0015","90","","3060.43","0.13","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(tert-butyl)-2-(9-(2-(cyclopentylamino)-2-oxoethyl)-3,10-dioxo-4,9-diaza-1,2(1,3)-dibenzenacyclodecaphane-4-yl)acetamide","","- C63 H80 N8 O9 -","- C63 H80 N8 O9 -","- C126 H160 N16 O18 -","2","0.5","","Pérez-Labrada, Karell; Cruz-Mendoza, Marco A; Chávez-Riveros, Alejandra; Hernández-Vázquez, Eduardo; Torroba, Tomás; Miranda, Luis D.","Diversity-oriented synthesis and cytotoxic activity evaluation of biaryl-containing macrocycles.","Organic & biomolecular chemistry","2017","15","11","2450","2458","10.1039/c6ob02726a","","","1.54178","CuKα","","0.1764","0.1513","","","0.3364","0.3543","","","","","","1.197","","","","has coordinates,has disorder","195177","2020-10-21","18:00:00",""
"7155515","6.2179","0.0003","10.0744","0.0004","10.4155","0.0005","90","","107.042","0.005","90","","623.8","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 N O5 S -","- C9 H15 N O5 S -","- C18 H30 N2 O10 S2 -","2","1","","Gan, Shaoyan; Yin, Junjie; Yao, Yuan; Liu, Yang; Chang, Denghu; Zhu, Dan; Shi, Lei","Metal- and additive-free oxygen-atom transfer reaction: an efficient and chemoselective oxidation of sulfides to sulfoxides with cyclic diacyl peroxides.","Organic & biomolecular chemistry","2017","15","12","2647","2654","10.1039/c7ob00021a","","x-ray","0.71073","MoKα","","0.035","0.0325","","","0.0771","0.0791","","","","","","1.066","","","","has coordinates","195184","2020-10-21","18:00:00",""
"7155516","19.0072","0.0009","19.0072","0.0009","5.7243","0.0003","90","","90","","120","","1790.97","0.15","100","2","100","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C10 H10 O -","- C10 H10 O -","- C90 H90 O9 -","9","1","","Ma, Fujie; Chen, Jingchao; Yang, Fan; Shinde, Madhuri Vikas; Zhou, Yongyun; Fan, Baomin","Palladium/zinc co-catalyzed asymmetric transfer hydrogenation of oxabenzonorbornadienes with alcohols as hydrogen sources.","Organic & biomolecular chemistry","2017","15","11","2359","2362","10.1039/c7ob00175d","","","1.54178","CuKα","","0.0812","0.0773","","","0.2082","0.2129","","","","","","1.121","","","","has coordinates","195179","2020-10-21","18:00:00",""
"7155517","4.6462","0.0002","9.7488","0.0003","19.6719","0.0006","90","","90","","90","","891.04","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","","Ma, Fujie; Chen, Jingchao; Yang, Fan; Shinde, Madhuri Vikas; Zhou, Yongyun; Fan, Baomin","Palladium/zinc co-catalyzed asymmetric transfer hydrogenation of oxabenzonorbornadienes with alcohols as hydrogen sources.","Organic & biomolecular chemistry","2017","15","11","2359","2362","10.1039/c7ob00175d","","","1.54178","CuKα","","0.0461","0.0461","","","0.1384","0.1385","","","","","","1.203","","","","has coordinates","195179","2020-10-21","18:00:00",""
"7155518","10.848","0.002","8.1961","0.0016","15.304","0.003","90","","103.597","0.003","90","","1322.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C68 H52 F4 O8 -","4","1","","Wang, Liang; Li, Xuehu; Tao, Hua; Zhou, Xiang; Lu, Xihong; Du, Wenyue; Jiang, Tingting; Xin, Zhijun; Liang, Jianping","Palladium-catalyzed intermolecular tandem cyclization reaction: a highly regioselective synthesis of functionalized 3H-spiro[isobenzofuran-1,3'-isochroman] scaffolds.","Organic & biomolecular chemistry","2017","15","11","2403","2410","10.1039/c6ob02802k","","","0.71073","MoKα","","0.0455","0.0412","","","0.1179","0.1227","","","","","","1.005","","","","has coordinates","195178","2020-10-21","18:00:00",""
"7155519","5.8794","0.0004","7.4664","0.0007","15.5877","0.0015","92.948","0.008","93.41","0.007","110.44","0.008","638.14","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H17 N3 -","- C14 H17 N3 -","- C28 H34 N6 -","2","1","","Sun, Chenyang; Yuan, Xiao; Li, Yan; Li, Xiaoxiao; Zhao, Zhigang","N(1)-Selective alkenylation of 1-sulfonyl-1,2,3-triazoles with alkynes via gold catalysis.","Organic & biomolecular chemistry","2017","15","13","2721","2724","10.1039/c7ob00142h","","x-ray","1.54184","CuKα","","0.075","0.0663","","","0.1641","0.1779","","","","","","1.065","","","","has coordinates","195171","2020-10-21","18:00:00",""
"7155520","10.82","0.004","17.17","0.02","10.534","0.005","90","","105.49","0.04","90","","1886","2","290.55","0.1","290.55","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Liu, Chen-Fei; Zhang, Guo-Tai; Sun, Jun-Shu; Dong, Lin","Access to π-conjugated azaindole derivatives via rhodium(iii)-catalyzed cascade reaction of azaindoles and diazo compounds.","Organic & biomolecular chemistry","2017","15","14","2902","2905","10.1039/c7ob00059f","","x-ray","0.71073","MoKα","","0.1235","0.076","","","0.206","0.2518","","","","","","1.022","","","","has coordinates","196511","2020-10-21","18:00:00",""
"7155521","7.1265","0.0007","28.922","0.003","11.2917","0.001","90","","106.228","0.001","90","","2234.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound (+) 14d","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C84 H76 N4 O8 S4 -","4","2","","Carella, Andrea; Ramos Ferronatto, Gabriel; Marotta, Emanuela; Mazzanti, Andrea; Righi, Paolo; Paolucci, Claudio","Betti's base for crystallization-induced deracemization of substituted aldehydes: synthesis of enantiopure amorolfine and fenpropimorph.","Organic & biomolecular chemistry","2017","15","14","2968","2978","10.1039/c6ob02765b","","","0.71073","MoKα","","0.1279","0.0933","","","0.246","0.2878","","","","","","0.879","","","","has coordinates","196514","2020-10-21","18:00:00",""
"7155522","8.1053","0.0011","10.2013","0.0013","14.6738","0.0019","74.381","0.003","81.572","0.003","79.622","0.003","1143.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 Br O2 -","- C29 H21 Br O2 -","- C58 H42 Br2 O4 -","2","1","","Zhang, Fangfang; Yao, Qiyi; Yuan, Yang; Xu, Murong; Kong, Lingkai; Li, Yanzhong","Base-mediated insertion reaction of alkynes into carbon-carbon σ-bonds of ethanones: synthesis of hydroxydienone and chromone derivatives.","Organic & biomolecular chemistry","2017","15","12","2497","2500","10.1039/c7ob00476a","","","0.71073","MoKα","","0.0812","0.0517","","","0.1353","0.15","","","","","","1.025","","","","has coordinates","195183","2020-10-21","18:00:00",""
"7155523","10.1572","0.0014","9.7577","0.0014","21.796","0.003","90","","98.391","0.003","90","","2137.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 O2 -","- C29 H20 O2 -","- C116 H80 O8 -","4","1","","Zhang, Fangfang; Yao, Qiyi; Yuan, Yang; Xu, Murong; Kong, Lingkai; Li, Yanzhong","Base-mediated insertion reaction of alkynes into carbon-carbon σ-bonds of ethanones: synthesis of hydroxydienone and chromone derivatives.","Organic & biomolecular chemistry","2017","15","12","2497","2500","10.1039/c7ob00476a","","","0.71073","MoKα","","0.0713","0.0437","","","0.1035","0.1149","","","","","","1.033","","","","has coordinates","195183","2020-10-21","18:00:00",""
"7155524","9.3577","0.0008","11.409","0.0009","11.7512","0.0008","63.086","0.002","75.619","0.002","69.263","0.002","1040.37","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 F2 N2 O4 -","- C22 H20 F2 N2 O4 -","- C44 H40 F4 N4 O8 -","2","1","","Tang, Luning; Huang, Hai; Xi, Yang; He, Guangke; Zhu, Hongjun","Pd/Cu-Catalyzed tandem head-to-tail dimerization/cycloisomerization of terminal ynamides for the synthesis of 5-vinyloxazolones.","Organic & biomolecular chemistry","2017","15","14","2923","2930","10.1039/c7ob00381a","","","0.71073","MoKα","","0.0611","0.0473","","","0.1178","0.1263","","","","","","1.031","","","","has coordinates","196516","2020-10-21","18:00:00",""
"7155525","10.797","0.013","11.711","0.015","12.514","0.015","113.344","0.017","96.823","0.019","113.413","0.019","1259","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","1","","Tang, Luning; Huang, Hai; Xi, Yang; He, Guangke; Zhu, Hongjun","Pd/Cu-Catalyzed tandem head-to-tail dimerization/cycloisomerization of terminal ynamides for the synthesis of 5-vinyloxazolones.","Organic & biomolecular chemistry","2017","15","14","2923","2930","10.1039/c7ob00381a","","","0.71073","MoKα","","0.1161","0.0995","","","0.2702","0.2767","","","","","","1.165","","","","has coordinates","196516","2020-10-21","18:00:00",""
"7155526","12.4653","0.0016","8.3351","0.0011","16.192","0.002","90","","110.902","0.002","90","","1571.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4S)-4-(4-chlorobenzoyl)-2-methylhexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione","","- C17 H17 Cl N2 O3 -","- C17 H17 Cl N2 O3 -","- C68 H68 Cl4 N8 O12 -","4","1","","Reddy, Chada Narsimha; Sathish, Manda; Adhikary, Susanta; Nanubolu, Jagadeesh Babu; Alarifi, Abdullah; Maurya, Ram Awatar; Kamal, Ahmed","Phenacyl azides as efficient intermediates: one-pot synthesis of pyrrolidines and imidazoles.","Organic & biomolecular chemistry","2017","15","13","2730","2733","10.1039/c7ob00299h","","","0.71073","MoKα","","0.0558","0.0463","","","0.1279","0.1368","","","","","","1.038","","","","has coordinates","195170","2020-10-21","18:00:00",""
"7155527","10.433","0.002","11.252","0.002","11.15","0.002","90","","101.21","0.03","90","","1283.9","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0656","0.0514","","","0.1057","0.1141","","","","","","1.05","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155528","6.953","0.0014","11.068","0.002","16.703","0.003","90","","90","","90","","1285.4","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0551","0.0418","","","0.0923","0.0992","","","","","","0.995","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155529","10.3207","0.0002","17.168","0.0004","10.4198","0.0002","90","","96.038","0.001","90","","1836","0.07","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butyl (1-((3r,5r,7r)-adamantan-1-yl)but-3-en-1-yl)carbamate","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","x-ray","1.54178","CuKα","","0.0326","0.0323","","","0.0897","0.09","","","","","","1.058","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155530","10.6735","0.0007","11.9007","0.0008","14.2306","0.0009","90","","90","","90","","1807.6","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-((3r,5r,7r)-adamantan-1-yl)-6-(bromomethyl)-2-(tert-butoxy)-5,6-dihydro-4H-1,3-oxazine","","- C19 H30 Br N O2 -","- C19 H30 Br N O2 -","- C76 H120 Br4 N4 O8 -","4","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0379","0.0298","","","0.0651","0.068","","","","","","1.007","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155531","8.3872","0.0017","10.676","0.002","28.705","0.006","90","","90","","90","","2570.3","0.9","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C120 H184 N8 O16 -","8","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.1119","0.0784","","","0.1837","0.1994","","","","","","1.081","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155532","14.4594","0.0015","5.6092","0.0006","15.0823","0.0015","90","","105.035","0.002","90","","1181.4","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Mtiraoui, Hasan; Renault, Kevin; Sanselme, Morgane; Msaddek, Moncef; Renard, Pierre-Yves; Sabot, Cyrille","Metal-free oxidative ring contraction of benzodiazepinones: an entry to quinoxalinones.","Organic & biomolecular chemistry","2017","15","14","3060","3068","10.1039/c7ob00205j","","x-ray","0.71073","MoKα","","0.0457","0.0417","","","0.1096","0.1131","","","","","","1.073","","","","has coordinates","196513","2020-10-21","18:00:00",""
"7155533","8.2056","0.0001","11.9665","0.0002","13.8857","0.0002","90","","90","","90","","1363.47","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(7S,8aS)-octahydro-5,5-dimethylindolizin-7-ol 9, acetic acid salt monohydrate","","- C12 H25 N O4 -","- C12 H25 N O4 -","- C48 H100 N4 O16 -","4","1","","Zhang, Jing; Kolluri, Rao; Alvarez, Salvador G.; Irving, Mark M.; Singh, Rajinder; Duncton, Matthew A. J.","Enantioselective synthesis of an octahydroindolizine (indolizidine) alcohol using an enzymatic resolution.","Organic & biomolecular chemistry","2017","15","14","2953","2961","10.1039/c7ob00192d","","","1.54178","CuKα","","0.0388","0.038","","","0.1016","0.1031","","","","","","1.079","","","","has coordinates","196512","2020-10-21","18:00:00",""
"7155534","12.8722","0.0005","6.6204","0.0002","20.7083","0.0008","90","","92.069","0.002","90","","1763.59","0.11","110.15","","110.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (1aS,2S,3R,3aR,6aS,6bS)-4-oxo-5-tosyloctahydro-2,6a-epoxyoxireno[2,3-e]isoindole-3-carboxylate","","- C18 H19 N O7 S -","- C18 H19 N O7 S -","- C72 H76 N4 O28 S4 -","4","2","","Abbasov, Mikail E.; Hudson, Brandi M.; Kong, Weixu; Tantillo, Dean J.; Romo, Daniel","Enantioselective Diels-Alder-lactamization organocascades employing a furan-based diene.","Organic & biomolecular chemistry","2017","15","15","3179","3183","10.1039/c6ob02738e","","","1.54178","CuKα","","0.0428","0.037","","","0.0966","0.1092","","","","","","1.116","","","","has coordinates,has disorder","196518","2020-10-21","18:00:00",""
"7155535","15.0497","0.0007","11.1392","0.0005","16.514","0.005","90","","90","","90","","2768.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Methyl-2-nitro-7,8-dihydro-5H-benzo[i]pyrido[3,2-b][1,4,7]oxadiazecin-9(6H)-one","","- C15 H14 N4 O4 -","- C15 H13 N4 O4 -","- C120 H104 N32 O32 -","8","1","","Sapegin, Alexander; Osipyan, Angelina; Krasavin, Mikhail","Structurally diverse arene-fused ten-membered lactams accessed via hydrolytic imidazoline ring expansion.","Organic & biomolecular chemistry","2017","15","14","2906","2909","10.1039/c7ob00535k","","","0.71073","MoKα","","0.0532","0.0415","","","0.0967","0.1032","","","","","","1.062","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7155536","12.5546","0.0016","13.421","0.0018","17.44","0.002","95.959","0.007","103.802","0.007","108.371","0.007","2656.7","0.6","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C138 H120 N12 -","6","3","","Banerji, Biswadip; Chatterjee, Satadru; Chandrasekhar, K.; Bera, Suvankar; Mazumder, Leena; Prodhan, Chandraday; Chaudhuri, Keya","Expedient Synthesis of Phenanthro-Imidazo-Pyridine Fused Heteropolynuclear Framework via CDC coupling: A New Class of Luminophores","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00564D","","","0.71073","MoKα","","0.1379","0.0634","","","0.1906","0.2541","","","","","","0.988","","","","has coordinates","194319","2020-10-21","18:00:00",""
"7155537","21.0174","0.0006","9.9144","0.0002","26.3443","0.0008","90","","104.108","0.003","90","","5323.9","0.3","289","2","289","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77 H19 Cl9 O6 -","- C77 H19 Cl9 O6 -","- C308 H76 Cl36 O24 -","4","1","","Wang, Jun-Jie; Lin, Hao-Sheng; Niu, Chuang; Wang, Guan-Wu","The cyclopropanation of [60]fullerobenzofurans via electrosynthesis.","Organic & biomolecular chemistry","2017","15","15","3248","3254","10.1039/c7ob00463j","","","1.54184","CuKα","","0.1249","0.0977","","","0.2206","0.241","","","","","","1.093","","","","has coordinates,has disorder","196523","2020-10-21","18:00:00",""
"7155538","12.4334","0.0005","10.216","0.0004","16.6743","0.0007","90","","99.832","0.004","90","","2086.86","0.15","293","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3i","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","1","","Zhang, Zhen; Li, Cheng; Wang, Shao-Hua; Zhang, Fu-Min; Han, Xue; Tu, Yong-Qiang; Zhang, Xiao-Ming","Tandem SN2' nucleophilic substitution/oxidative radical cyclization of aryl substituted allylic alcohols with 1,3-dicarbonyl compounds.","Organic & biomolecular chemistry","2017","15","15","3239","3247","10.1039/c7ob00620a","","","0.7107","MoKα","","0.0796","0.0546","","","0.1282","0.1468","","","","","","1.029","","","","has coordinates","196517","2020-10-21","18:00:00",""
"7155539","11.4563","0.0005","18.7494","0.0008","9.4799","0.0003","90","","90.253","0.003","90","","2036.25","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C96 H104 N8 O8 -","4","1","","Mardjan, M. I. D.; Perie, S.; Parrain, J.-L.; Commeiras, L.","A tunable copper-catalyzed multicomponent reaction towards alkaloid-inspired indole/lactam polycycles.","Organic & biomolecular chemistry","2017","15","15","3304","3309","10.1039/c7ob00532f","","x-ray","0.71073","MoKα","","0.0901","0.0644","","","0.1618","0.1772","","","","","","1.033","","","","has coordinates","196522","2020-10-21","18:00:00",""
"7155540","12.7853","0.0006","15.0292","0.0008","19.3138","0.0013","90","","107.062","0.006","90","","3547.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N4 O2 -","- C40 H48 N4 O2 -","- C160 H192 N16 O8 -","4","1","","Mardjan, M. I. D.; Perie, S.; Parrain, J.-L.; Commeiras, L.","A tunable copper-catalyzed multicomponent reaction towards alkaloid-inspired indole/lactam polycycles.","Organic & biomolecular chemistry","2017","15","15","3304","3309","10.1039/c7ob00532f","","x-ray","0.71073","MoKα","","0.1347","0.0709","","","0.1481","0.1756","","","","","","1.027","","","","has coordinates,has disorder","196522","2020-10-21","18:00:00",""
"7155541","11.776","0.0009","8.4171","0.0006","13.9685","0.0011","90","","114.786","0.003","90","","1257.01","0.17","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,5-dimethoxy-2-((R)-2-nitro-1-phenylethyl)phenyl ((1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate","","- C26 H31 N O8 S -","- C26 H31 N O8 S -","- C52 H62 N2 O16 S2 -","2","1","","Han, Xiaoyu; Ye, Can; Chen, Fenfen; Chen, Qu; Wang, Yongjiang; Zeng, Xiaofei","A highly enantioselective Friedel-Crafts reaction of 3,5-dimethoxylphenol with nitroolefins mediated by a bifunctional quinine derived thiourea catalyst.","Organic & biomolecular chemistry","2017","15","16","3401","3407","10.1039/c7ob00372b","","","0.71073","MoKα","","0.0463","0.0428","","","0.103","0.1124","","","","","","1.144","","","","has coordinates","196509","2020-10-21","18:00:00",""
"7155542","10.0601","0.0008","15.2849","0.0012","15.3621","0.0011","90","","90.477","0.003","90","","2362.1","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-(1R,2S)-Diethyl 3,3,3-trifluoro-1,2-dihydroxypropylphosphonate","","- C7 H14 F3 O5 P -","- C7 H14 F3 O5 P -","- C56 H112 F24 O40 P8 -","8","2","","Pallitsch, K.; Schweifer, A.; Roller, A.; Hammerschmidt, F.","Towards the biodegradation pathway of fosfomycin.","Organic & biomolecular chemistry","2017","15","15","3276","3285","10.1039/c7ob00546f","","x-ray","0.71073","MoKα","","0.0725","0.0657","","","0.1566","0.1615","","","","","","1.084","","","","has coordinates,has disorder","196519","2020-10-21","18:00:00",""
"7155543","8.1889","0.0003","10.3419","0.0005","10.9166","0.0004","105.058","0.004","98.466","0.003","99.563","0.003","862.59","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C40 H32 N4 O8 -","2","1","","Majee, Debashis; Biswas, Soumen; Mobin, Shaikh M.; Samanta, Sampak","Domino reaction of cyclic sulfamidate imines with Morita-Baylis-Hillman acetates promoted by DABCO: a metal-free approach to functionalized nicotinic acid derivatives.","Organic & biomolecular chemistry","2017","15","15","3286","3297","10.1039/c7ob00240h","","","0.71073","MoKα","","0.0967","0.0624","","","0.1619","0.1867","","","","","","1.07","","","","has coordinates","196520","2020-10-21","18:00:00",""
"7155544","12.74606","0.00016","10.64439","0.00015","19.7255","0.0003","90","","98.7804","0.0013","90","","2644.87","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 Cl N2 P Ru -","- C27 H42 Cl N2 P Ru -","- C108 H168 Cl4 N8 P4 Ru4 -","4","1","","Chang, Weihong; Gong, Xue; Wang, Shuizhong; Xiao, Ling-Ping; Song, Guoyong","Acceptorless dehydrogenation and dehydrogenative coupling of alcohols catalysed by protic NHC ruthenium complexes.","Organic & biomolecular chemistry","2017","15","16","3466","3471","10.1039/c7ob00542c","","","0.71073","MoKα","","0.034","0.0285","","","0.0598","0.0626","","","","","","1.051","","","","has coordinates","196510","2020-10-21","18:00:00",""
"7155545","10.128","0.003","12.566","0.003","13.275","0.004","83.199","0.005","84.143","0.005","68.651","0.004","1559.3","0.8","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H48 N2 Na P Ru -","- C33 H48 N2 Na P Ru -","- C66 H96 N4 Na2 P2 Ru2 -","2","1","","Chang, Weihong; Gong, Xue; Wang, Shuizhong; Xiao, Ling-Ping; Song, Guoyong","Acceptorless dehydrogenation and dehydrogenative coupling of alcohols catalysed by protic NHC ruthenium complexes.","Organic & biomolecular chemistry","2017","15","16","3466","3471","10.1039/c7ob00542c","","","0.71073","MoKα","","0.077","0.0557","","","0.1317","0.1425","","","","","","0.982","","","","has coordinates","196510","2020-10-21","18:00:00",""
"7155546","10.9813","0.0014","26.815","0.004","14.946","0.002","90","","90.512","0.013","90","","4400.9","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H44 N4 O4 S2 -","- C51 H44 N4 O4 S2 -","- C204 H176 N16 O16 S8 -","4","1","","Zhao, Yingying; Hu, Yancheng; Li, Xincheng; Wan, Boshun","Tf2NH-catalyzed formal [3 + 2] cycloaddition of oxadiazolones with ynamides: a simple access to aminoimidazoles.","Organic & biomolecular chemistry","2017","15","16","3413","3417","10.1039/c7ob00701a","","","0.71073","MoKα","","0.2753","0.0814","","","0.1463","0.228","","","","","","0.947","","","","has coordinates","196508","2020-10-21","18:00:00",""
"7155547","8.9022","0.0005","14.9494","0.0008","27.943","0.0016","90","","93.499","0.005","90","","3711.8","0.4","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H47 N O14 -","- C35 H47 N O14 -","- C140 H188 N4 O56 -","4","2","","Xiao, Yongsheng; Zhang, Bo; Zhang, Mei; Guo, Zhi Kai; Deng, Xin Zhao; Shi, Jing; Li, Wei; Jiao, Rui Hua; Tan, R.-X.; Ge, Hui Ming","Rifamorpholines A-E, Potential Antibiotics from a Locust-Associated Actinobacteria Amycolatopsis sp. Hca4","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00614D","","","1.54178","CuKα","","0.1258","0.0937","","","0.2406","0.2635","","","","","","0.999","","","","has coordinates","194752","2020-10-21","18:00:00",""
"7155548","11.8973","0.0001","14.2852","0.0002","11.9193","0.0002","90","","114.749","0.001","90","","1839.68","0.05","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O13 -","- C37 H45 N O13 -","- C74 H90 N2 O26 -","2","1","","Xiao, Yongsheng; Zhang, Bo; Zhang, Mei; Guo, Zhi Kai; Deng, Xin Zhao; Shi, Jing; Li, Wei; Jiao, Rui Hua; Tan, R.-X.; Ge, Hui Ming","Rifamorpholines A-E, Potential Antibiotics from a Locust-Associated Actinobacteria Amycolatopsis sp. Hca4","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00614D","","","1.54178","CuKα","","0.046","0.0451","","","0.1188","0.1201","","","","","","1.036","","","","has coordinates","194752","2020-10-21","18:00:00",""
"7155549","13.8048","0.0003","15.2327","0.0003","15.2102","0.0004","90","","90","","90","","3198.47","0.13","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C144 H144 N16 O24 -","8","1","","Bai, Siyi; Chen, Xun; Hu, Xinwei; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","An Ir(iii)-catalyzed aryl C-H bond carbenoid functionalization cascade: access to 1,3-dihydroindol-2-ones.","Organic & biomolecular chemistry","2017","15","17","3638","3647","10.1039/c7ob00367f","","","1.54184","CuKα","","0.0443","0.0385","","","0.1018","0.1066","","","","","","1.054","","","","has coordinates","196505","2020-10-21","18:00:00",""
"7155550","5.7144","0.0013","12.03","0.003","12.5875","0.0012","92.05","0.014","92.677","0.013","90.37","0.02","863.8","0.3","198","15","198","15","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 F O S -","- C22 H15 F O S -","- C44 H30 F2 O2 S2 -","2","1","","Yang, Xiaodong; Yan, Rulong","A method for accessing sulfanylfurans from homopropargylic alcohols and sulfonyl hydrazides.","Organic & biomolecular chemistry","2017","15","17","3571","3574","10.1039/c7ob00566k","","x-ray","0.71073","MoKα","","0.1215","0.0619","","","0.1214","0.1656","","","","","","1.061","","","","has coordinates","196506","2020-10-21","18:00:00",""
"7155551","8.8343","0.0004","10.9242","0.0005","10.9439","0.0005","103.635","0.002","97.925","0.002","91.114","0.002","1015.12","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(Z)-diethyl 1-acetyl-5-benzylidene-4-(trifluoromethyl)pyrrolidine-2,2-dicarboxylate","","- C20 H22 F3 N O5 -","- C20 H22 F3 N O5 -","- C40 H44 F6 N2 O10 -","2","1","","Yang, Jieru; Zhou, Xiaofan; Zeng, Yu; Huang, Chaoqian; Xiao, Yuanjing; Zhang, Junliang","Divergent synthesis from reactions of 2-trifluoromethyl-1,3-conjugated enynes with N-acetylated 2-aminomalonates.","Organic & biomolecular chemistry","2017","15","10","2253","2258","10.1039/c6ob02749k","","","0.71073","MoKα","","0.0699","0.0476","","","0.127","0.1526","","","","","","1.073","","","","has coordinates","194918","2020-10-21","18:00:00",""
"7155552","10.7953","0.001","21.8368","0.0019","9.4439","0.0008","90","","113.58","0.002","90","","2040.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diethyl 2-acetamido-2-(2-(difluoromethylene)-4-phenylbut-3-yn-1-yl)malonate","","- C20 H21 F2 N O5 -","- C20 H21 F2 N O5 -","- C80 H84 F8 N4 O20 -","4","1","","Yang, Jieru; Zhou, Xiaofan; Zeng, Yu; Huang, Chaoqian; Xiao, Yuanjing; Zhang, Junliang","Divergent synthesis from reactions of 2-trifluoromethyl-1,3-conjugated enynes with N-acetylated 2-aminomalonates.","Organic & biomolecular chemistry","2017","15","10","2253","2258","10.1039/c6ob02749k","","","0.71073","MoKα","","0.0788","0.0449","","","0.1094","0.1313","","","","","","1.028","","","","has coordinates","194918","2020-10-21","18:00:00",""
"7155553","5.6783","0.0002","18.1808","0.0007","34.1983","0.0014","90","","90","","90","","3530.5","0.2","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","2","","Lian, Xiao-Lei; Adili, Alafate; Liu, Bin; Tao, Zhong-Lin; Han, Zhi-Yong","Enantioselective [4 + 1] cycloaddition of ortho-quinone methides and bromomalonates under phase-transfer catalysis.","Organic & biomolecular chemistry","2017","15","17","3670","3673","10.1039/c7ob00484b","","","1.54184","CuKα","","0.0592","0.0542","","","0.1417","0.1465","","","","","","1.034","","","","has coordinates","196500","2020-10-21","18:00:00",""
"7155554","6.071","0.0003","15.0757","0.0009","25.2963","0.0014","90","","92.595","0.003","90","","2312.9","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 O4 S2 -","- C24 H26 O4 S2 -","- C96 H104 O16 S8 -","4","1","","Fensterbank, Louis; Guelen, Simon; Blazejak, Max; Chamoreau, Lise-Marie; Arnaud, Huguet; Derenne, Sylvie; Volatron, Francois; Mansuy, Virgine","Photochemical Studies on Bis-Sulfide and -Sulfone Tethered Polyenic Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00551B","","","1.54178","CuKα","","0.0432","0.0329","","","0.0856","0.0908","","","","","","1.035","","","","has coordinates","195233","2020-10-21","18:00:00",""
"7155555","6.2958","0.0001","40.1116","0.0009","10.5256","0.0002","90","","97.68","0.002","90","","2634.24","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Na O10 S4 -","- C24 H23 Na O10 S4 -","- C96 H92 Na4 O40 S16 -","4","1","","Fensterbank, Louis; Guelen, Simon; Blazejak, Max; Chamoreau, Lise-Marie; Arnaud, Huguet; Derenne, Sylvie; Volatron, Francois; Mansuy, Virgine","Photochemical Studies on Bis-Sulfide and -Sulfone Tethered Polyenic Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00551B","","","1.54178","CuKα","","0.0719","0.0435","","","0.0941","0.1064","","","","","","1.029","","","","has coordinates","195233","2020-10-21","18:00:00",""
"7155556","22.865","0.006","20.08","0.004","10.665","0.002","90","","93.607","0.018","90","","4886.9","1.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 O8 S2 -","- C24 H26 O8 S2 -","- C192 H208 O64 S16 -","8","2","","Fensterbank, Louis; Guelen, Simon; Blazejak, Max; Chamoreau, Lise-Marie; Arnaud, Huguet; Derenne, Sylvie; Volatron, Francois; Mansuy, Virgine","Photochemical Studies on Bis-Sulfide and -Sulfone Tethered Polyenic Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00551B","","","1.54178","CuKα","","0.1093","0.0833","","","0.2177","0.2375","","","","","","1.067","","","","has coordinates,has disorder","195233","2020-10-21","18:00:00",""
"7155557","5.9549","0.0002","15.3259","0.0004","21.7847","0.0006","90","","93.458","0.002","90","","1984.54","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O4 S2 -","- C20 H22 O4 S2 -","- C80 H88 O16 S8 -","4","1","","Fensterbank, Louis; Guelen, Simon; Blazejak, Max; Chamoreau, Lise-Marie; Arnaud, Huguet; Derenne, Sylvie; Volatron, Francois; Mansuy, Virgine","Photochemical Studies on Bis-Sulfide and -Sulfone Tethered Polyenic Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00551B","","","1.54178","CuKα","","0.0404","0.0319","","","0.0842","0.089","","","","","","1.05","","","","has coordinates","195233","2020-10-21","18:00:00",""
"7155558","13.8437","0.0004","12.6589","0.0004","8.7099","0.0002","90","","100.811","0.002","90","","1499.28","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 S2 -","- C16 H14 O2 S2 -","- C64 H56 O8 S8 -","4","1","","Fensterbank, Louis; Guelen, Simon; Blazejak, Max; Chamoreau, Lise-Marie; Arnaud, Huguet; Derenne, Sylvie; Volatron, Francois; Mansuy, Virgine","Photochemical Studies on Bis-Sulfide and -Sulfone Tethered Polyenic Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00551B","","","1.54178","CuKα","","0.0514","0.0386","","","0.0956","0.101","","","","","","1.116","","","","has coordinates","195233","2020-10-21","18:00:00",""
"7155559","7.2168","0.0002","16.2188","0.0004","25.3953","0.0006","100.65","0.001","92.438","0.001","101.714","0.001","2850.51","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O8 S2 -","- C24 H26 O8 S2 -","- C96 H104 O32 S8 -","4","2","","Fensterbank, Louis; Guelen, Simon; Blazejak, Max; Chamoreau, Lise-Marie; Arnaud, Huguet; Derenne, Sylvie; Volatron, Francois; Mansuy, Virgine","Photochemical Studies on Bis-Sulfide and -Sulfone Tethered Polyenic Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00551B","","","0.71073","MoKα","","0.0993","0.055","","","0.1696","0.2064","","","","","","0.812","","","","has coordinates","195233","2020-10-21","18:00:00",""
"7155560","11.8441","0.0004","11.9103","0.0005","13.4579","0.0005","90","","90","","90","","1898.46","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","","Chung, Min-Ching; Chan, Yung-Hsiang; Chang, Wen-Jung; Hou, Duen-Ren","Synthesis of 2,3-dihydro-1H-pyrroles by intramolecular cyclization of N-(3-butynyl)-sulfonamides.","Organic & biomolecular chemistry","2017","15","17","3783","3790","10.1039/c7ob00528h","","","0.71073","MoKα","","0.0544","0.0379","","","0.0808","0.0882","","","","","","1.027","","","","has coordinates","196501","2020-10-21","18:00:00",""
"7155561","9.35","0.004","8.514","0.003","18.643","0.007","90","","103.789","0.018","90","","1441.3","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C76 H52 N4 O12 -","4","1","","Midya, Siba Prasad; Gopi, Elumalai; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of fused cyanopyrroles and spirocyclopropanes via addition of N-ylides to chalconimines.","Organic & biomolecular chemistry","2017","15","17","3616","3627","10.1039/c7ob00529f","","","0.71073","MoKα","","0.0928","0.0536","","","0.1183","0.1503","","","","","","0.975","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7155562","7.199","0.003","13.738","0.005","30.836","0.012","90","","90","","90","","3050","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","2","","Midya, Siba Prasad; Gopi, Elumalai; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of fused cyanopyrroles and spirocyclopropanes via addition of N-ylides to chalconimines.","Organic & biomolecular chemistry","2017","15","17","3616","3627","10.1039/c7ob00529f","","","0.71075","MoKα","","0.0625","0.0539","","","0.1276","0.1344","","","","","","1.017","","","","has coordinates","196504","2020-10-21","18:00:00",""
"7155563","12.0052","0.001","9.6664","0.0006","15.8157","0.0012","90","","96.318","0.008","90","","1824.2","0.2","105.3","","105.3","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 O3 Si -","- C16 H28 O3 Si -","- C64 H112 O12 Si4 -","4","2","","Yang, Hongguang; Liu, Xiaoyu; Li, Xiaoyu; Shi, Xiang; Yang, Feilong; Jiao, Xiaozhen; Xie, Ping","Enantioselective total synthesis of colomitides and their absolute configuration determination and structural revision.","Organic & biomolecular chemistry","2017","15","17","3728","3735","10.1039/c7ob00539c","","","1.5418","CuKα","","0.0456","0.0404","","","0.107","0.1142","","","","","","1.036","","","","has coordinates","196507","2020-10-21","18:00:00",""
"7155564","9.9108","0.0003","9.8191","0.0003","18.3013","0.0006","90","","91.679","0.003","90","","1780.23","0.1","104.6","","104.6","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 O3 Si -","- C16 H28 O3 Si -","- C64 H112 O12 Si4 -","4","2","","Yang, Hongguang; Liu, Xiaoyu; Li, Xiaoyu; Shi, Xiang; Yang, Feilong; Jiao, Xiaozhen; Xie, Ping","Enantioselective total synthesis of colomitides and their absolute configuration determination and structural revision.","Organic & biomolecular chemistry","2017","15","17","3728","3735","10.1039/c7ob00539c","","","1.5418","CuKα","","0.0597","0.0579","","","0.1552","0.1572","","","","","","1.099","","","","has coordinates","196507","2020-10-21","18:00:00",""
"7155565","8.1512","0.001","16.7902","0.0019","9.2892","0.0011","90","","97.105","0.002","90","","1261.6","0.3","296","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Br N O4 S -","- C11 H10 Br N O4 S -","- C44 H40 Br4 N4 O16 S4 -","4","1","","Wang, Ruijia; Xiang, Jiannan; Zou, Huaxu; Xiong, Yi; Yi, Niannian; Deng, Wei","PhI(OAc)2-Mediated 1,2-Aminohalogenation of Alkynes: A General Access to (E)-4-(Halomethylene)oxazolidin-2-ones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00509A","","","0.71073","MoKα","","0.0719","0.0426","","","0.0979","0.1101","","","","","","1.044","","","","has coordinates","195257","2020-10-21","18:00:00",""
"7155566","5.2978","0.0003","8.3344","0.0003","37.1632","0.0015","90","","91.094","0.004","90","","1640.6","0.13","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F3 N O2 S -","- C17 H14 F3 N O2 S -","- C68 H56 F12 N4 O8 S4 -","4","1","","Espinosa, Miguel; Herrera, Jorge; Blay, Gonzalo; Cardona, Luz; Muñoz, M Carmen; Pedro, Jose R.","Copper-Catalysed Enantioselective Michael Addition of Malonic Esters to β-Trifluoromethyl-α,β-Unsaturated Imines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00595D","","","0.71073","MoKα","","0.1031","0.0615","","","0.1254","0.1466","","","","","","1.028","","","","has coordinates","195258","2020-10-21","18:00:00",""
"7155567","9.68066","0.00015","12.6194","0.0002","18.5137","0.0004","90","","90","","90","","2261.71","0.07","200","1","200","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 F3 N O6 S -","- C22 H22 F3 N O6 S -","- C88 H88 F12 N4 O24 S4 -","4","1","","Espinosa, Miguel; Herrera, Jorge; Blay, Gonzalo; Cardona, Luz; Muñoz, M Carmen; Pedro, Jose R.","Copper-Catalysed Enantioselective Michael Addition of Malonic Esters to β-Trifluoromethyl-α,β-Unsaturated Imines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00595D","","","0.71073","MoKα","","0.0565","0.0422","","","0.0894","0.0991","","","","","","1.028","","","","has coordinates","195258","2020-10-21","18:00:00",""
"7155568","14.32966","0.00013","8.77119","0.00008","14.61018","0.00013","90","","90","","90","","1836.33","0.03","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C80 H88 N8 O16 -","8","2","","Lebel, Helene; Mamani Laparra, Laura; Khalifa, Maroua; Trudel, Carl; Audubert, Clément; Szponarski, Mathieu; Dicaire-Leduc, Cédric; Azek, Emna; Ernzerhof, Matthias","Synthesis of Oxazolidinones: Rhodium-Catalyzed C‒H Amination of N-Mesyloxycarbamates.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00378A","","x-ray","1.54178","CuKα","","0.0281","0.0279","","","0.0738","0.0742","","","","","","1.061","","","","has coordinates","195279","2020-10-21","18:00:00",""
"7155569","15.04","0.0004","6.0462","0.0002","12.0358","0.0003","90","","93.0384","0.0011","90","","1092.94","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N O2 -","- C11 H19 N O2 -","- C44 H76 N4 O8 -","4","1","","Lebel, Helene; Mamani Laparra, Laura; Khalifa, Maroua; Trudel, Carl; Audubert, Clément; Szponarski, Mathieu; Dicaire-Leduc, Cédric; Azek, Emna; Ernzerhof, Matthias","Synthesis of Oxazolidinones: Rhodium-Catalyzed C‒H Amination of N-Mesyloxycarbamates.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00378A","","x-ray","1.34139","GaKα","","0.0516","0.0481","","","0.1186","0.1223","","","","","","1.099","","","","has coordinates","195279","2020-10-21","18:00:00",""
"7155570","5.5901","0.0001","10.1207","0.0002","40.4585","0.0008","90","","90","","90","","2288.97","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-Ethyl 4-(4-iodophenyl)-1-(4-methoxybenzyl)-2-methyl-1,4-dihydroquinoline-3-carboxylate","","- C27 H26 I N O3 -","- C27 H26 I N O3 -","- C108 H104 I4 N4 O12 -","4","1","","Hodík, Tomáš; Schneider, Christoph","Brønsted acid-catalyzed, enantioselective synthesis of 1,4-dihydroquinoline-3-carboxylates via in situ generated ortho-quinone methide imines.","Organic & biomolecular chemistry","2017","15","17","3706","3716","10.1039/c7ob00488e","","x-ray","0.71073","MoKα","","0.0298","0.0262","","","0.0496","0.0509","","","","","","1.052","","","","has coordinates","196503","2020-10-21","18:00:00",""
"7155571","11.682","0.0006","7.2674","0.0004","20.0741","0.001","90","","103.443","0.004","90","","1657.55","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Karunaratne, Chamini; Sarkisian, Ryan G.; Reeves, Jennifer; Deng, Yongming; Wheeler, Kraig A.; Wang, Hong","Multicomponent Reaction through Cooperative Trio Catalysis Incorporating Enamine, Brønsted Acid and Metal Lewis Acid Catalysis: A Concise Route to Access Chromans","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00753A","","","1.54178","CuKα","","0.0935","0.0634","","","0.1481","0.1652","","","","","","1.044","","","","has coordinates","195281","2020-10-21","18:00:00",""
"7155572","12.869","0.002","14.38","0.003","10.957","0.002","90","","108.813","0.004","90","","1919.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Br N2 O3 -","- C21 H17 Br N2 O3 -","- C84 H68 Br4 N8 O12 -","4","1","","Ni, Chunjie; Yuan, Yuejie; Zhang, Yuwen; Chen, Jiangfei; Wang, Dong; Tong, Xiaofeng","Polycycle Construction via DMAP-Catalysed Tandem Addition-(4+2) Annulation Sequence of δ-Acetoxy Allenoate","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00688H","","","0.71073","MoKα","","0.0799","0.0486","","","0.1308","0.1561","","","","","","0.963","","","","has coordinates","195326","2020-10-21","18:00:00",""
"7155573","7.0562","0.0013","9.0008","0.0013","12.13","0.002","90.532","0.013","92.165","0.015","100.461","0.014","756.9","0.2","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C40 H32 N4 -","2","1","","Delaye, Pierre-Olivier; Pénichon, Mélanie; Allouchi, Hassan; Enguehard-Gueiffier, Cecile; Gueiffier, Alain","Regiocontrolled functionalization of 2,3-dihalogenoimidazo[1,2-a]pyridines by Suzuki-Miyaura and Sonogashira cross-coupling reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00624A","","x-ray","0.71073","MoKα","","0.1178","0.0709","","","0.1648","0.2152","","","","","","1.013","","","","has coordinates","195339","2020-10-21","18:00:00",""
"7155574","11.4817","0.0006","11.8623","0.0007","12.3995","0.0007","76.664","0.005","63.649","0.006","70.861","0.005","1422.43","0.16","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H40 N2 O4 -","- C33 H40 N2 O4 -","- C66 H80 N4 O8 -","2","1","","Huang, Huan-Ming; Bonilla, Pablo; Procter, David John","Selective Construction of Quaternary Stereocentres in Radical Cyclisation Cascades triggered by electron-transfer reduction of amide-type carbonyls","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00739F","","x-ray","0.71073","MoKα","","0.1365","0.0741","","","0.1649","0.2091","","","","","","1.069","","","","has coordinates,has disorder","195411","2020-10-21","18:00:00",""
"7155575","11.6196","0.0007","13.8475","0.0008","21.0449","0.0012","89.1","0.005","83.969","0.005","83.67","0.005","3346.9","0.3","150.02","0.1","150.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H82 F12 N4 O4 -","- C72 H82 F12 N4 O4 -","- C144 H164 F24 N8 O8 -","2","1","","Huang, Huan-Ming; Bonilla, Pablo; Procter, David John","Selective Construction of Quaternary Stereocentres in Radical Cyclisation Cascades triggered by electron-transfer reduction of amide-type carbonyls","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00739F","","x-ray","0.71073","MoKα","","0.1656","0.095","","","0.2256","0.2787","","","","","","1.034","","","","has coordinates,has disorder","195411","2020-10-21","18:00:00",""
"7155576","10.2079","0.0018","10.4253","0.0016","11.4032","0.0019","90","","97.286","0.006","90","","1203.7","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H28 Br N O3 S -","- C27 H28 Br N O3 S -","- C54 H56 Br2 N2 O6 S2 -","2","1","","Hou, Longlei; Yuan, Yuejie; Tong, Xiaofeng","Pd(0)-catalysed asymmetric reductive Heck-type cyclization of (Z)-1-iodo-1,6-diene: enantioselective synthesis of quaternary tetrahydropyridines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00762K","","","0.71073","MoKα","","0.0466","0.0403","","","0.0949","0.0978","","","","","","1.022","","","","has coordinates","195412","2020-10-21","18:00:00",""
"7155577","19.4281","0.0004","8.92102","0.00013","11.7047","0.0002","90","","105.986","0.002","90","","1950.19","0.06","107.8","0.4","107.8","0.4","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H24 Br O5 P -","- C16 H24 Br O5 P -","- C64 H96 Br4 O20 P4 -","4","1","","Vamisetti, Ganga B.; Chowdhury, Raghunath; Ghosh, Sunil Kumar","Organocatalytic Decarboxylative Aldol Reaction of β-Ketoacids with α-Ketophosphonates en route for the Enantioselective Synthesis of Tertiary α-Hydroxyphosphonates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00796E","","x-ray","1.54184","CuKα","","0.0644","0.0585","","","0.148","0.1709","","","","","","1.136","","","","has coordinates","195413","2020-10-21","18:00:00",""
"7155578","13.255","0.002","15.682","0.003","17.83","0.003","87.669","0.01","72.107","0.009","70.902","0.009","3325.5","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C2.24 H2.15 N0.24 O0.21 -","- C2.23881 H2.14925 N0.238806 O0.208955 -","- C150 H144 N16 O14 -","67","33.5","","Cui, Hai-Lei; Wang, Jiang-Fang; Zhou, Hai-Lin; You, Xiao-Lin; Jiang, Xiao-Jie","Catalyst-free Synthesis of Novel Dimeric β-Carboline Derivatives via An Unexpected [2 + 2 + 2] Annulation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00689F","","","0.71073","MoKα","","0.2105","0.1099","","","0.2901","0.3683","","","","","","1.025","","","","has coordinates","195414","2020-10-21","18:00:00",""
"7155579","12.8205","0.0004","8.93","0.0003","16.3199","0.0006","90","","93.109","0.003","90","","1865.67","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","1","","Shoji, Taku; Sugiyama, Shuhei; Araki, Takanori; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of 2-amino- and 2-arylazoazulenes via nucleophilic aromatic substitution of 2-chloroazulenes with amines and arylhydrazines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00691H","","","0.71075","MoKα","","0.0577","0.0428","","","0.093","0.1004","","","","","","1.049","","","","has coordinates,has disorder","195415","2020-10-21","18:00:00",""
"7155580","15.5798","0.0006","15.4279","0.0008","16.6633","0.0007","90","","90.085","0.004","90","","4005.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C184 H176 N16 O32 -","8","4","","Shoji, Taku; Sugiyama, Shuhei; Araki, Takanori; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of 2-amino- and 2-arylazoazulenes via nucleophilic aromatic substitution of 2-chloroazulenes with amines and arylhydrazines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00691H","","","0.71075","MoKα","","0.1309","0.0647","","","0.1216","0.1448","","","","","","1.01","","","","has coordinates,has disorder","195415","2020-10-21","18:00:00",""
"7155581","18.8735","0.001","9.5367","0.0004","27.4383","0.0017","90","","104.585","0.006","90","","4779.5","0.5","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H36 N2 O6 -","- C23 H36 N2 O6 -","- C184 H288 N16 O48 -","8","2","","Paikar, Arpita; Debnath, Mintu; Podder, Debasish; Sasmal, Supriya; Haldar, Debasish","Synthesis and structural investigation of 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid containing peptide analogue of amyloidogenic AS(6-7) sequence: Inhibition of fibril formation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00797C","","","0.71073","","","0.050435","0.046071","","","","0.159827","","","","","","1.16679","","","","has coordinates","195536","2020-10-21","18:00:00",""
"7155582","19.4462","0.0007","10.2917","0.0004","9.0894","0.0002","90","","99.477","0.003","90","","1794.27","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Paikar, Arpita; Debnath, Mintu; Podder, Debasish; Sasmal, Supriya; Haldar, Debasish","Synthesis and structural investigation of 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid containing peptide analogue of amyloidogenic AS(6-7) sequence: Inhibition of fibril formation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00797C","","x-ray","0.71073","MoKα","","0.0681","0.0522","","","0.1157","0.1232","","","","","","1.096","","","","has coordinates","195536","2020-10-21","18:00:00",""
"7155583","10.8333","0.0004","18.5688","0.0006","11.5795","0.0004","90","","104.444","0.004","90","","2255.72","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O5 -","- C21 H32 N2 O5 -","- C84 H128 N8 O20 -","4","2","","Paikar, Arpita; Debnath, Mintu; Podder, Debasish; Sasmal, Supriya; Haldar, Debasish","Synthesis and structural investigation of 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid containing peptide analogue of amyloidogenic AS(6-7) sequence: Inhibition of fibril formation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00797C","","x-ray","0.71073","MoKα","","0.0442","0.041","","","0.109","0.1115","","","","","","1.122","","","","has coordinates","195536","2020-10-21","18:00:00",""
"7155584","25.1584","0.0008","25.1584","0.0008","24.8801","0.0007","90","","90","","120","","13637.9","0.7","100","0.1","100","0.1","","","","","","","","4","P 65","P 65","170","","","","- C21 H32 N2 O5 -","- C21 H32 N2 O5 -","- C378 H576 N36 O90 -","18","3","","Paikar, Arpita; Debnath, Mintu; Podder, Debasish; Sasmal, Supriya; Haldar, Debasish","Synthesis and structural investigation of 2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid containing peptide analogue of amyloidogenic AS(6-7) sequence: Inhibition of fibril formation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00797C","","x-ray","0.71073","MoKα","","0.0736","0.0584","","","0.1484","0.1562","","","","","","1.052","","","","has coordinates","195536","2020-10-21","18:00:00",""
"7155585","10.1366","0.0008","13.6377","0.001","10.5947","0.0008","90","","97.508","0.002","90","","1452.05","0.19","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C60 H56 Br4 N4 O12 -","4","1","","Peng, Cheng; Zhai, Jiaojiao; Xue, Mingqiang; Xu, Fan","Lanthanide amide-catalyzed one-pot functionalization of isatins: synthesis of spiro[cyclopropan-1,3′-oxindoles] and 2-oxoindolin-3-yl phosphates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00640C","","","0.71073","MoKα","","0.1188","0.0602","","","0.106","0.1243","","","","","","1.085","","","","has coordinates,has disorder","195537","2020-10-21","18:00:00",""
"7155586","10.8908","0.0004","11.0249","0.0004","13.2194","0.0005","88.096","0.002","71.104","0.002","72.794","0.002","1431.06","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Cl N O3 -","- C15 H14 Cl N O3 -","- C60 H56 Cl4 N4 O12 -","4","2","","Peng, Cheng; Zhai, Jiaojiao; Xue, Mingqiang; Xu, Fan","Lanthanide amide-catalyzed one-pot functionalization of isatins: synthesis of spiro[cyclopropan-1,3′-oxindoles] and 2-oxoindolin-3-yl phosphates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00640C","","","0.71073","MoKα","","0.1","0.048","","","0.085","0.0994","","","","","","1.01","","","","has coordinates","195537","2020-10-21","18:00:00",""
"7155587","9.9666","0.0005","17.1779","0.0008","11.1475","0.0005","90","","111.554","0.002","90","","1775.05","0.15","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Peng, Cheng; Zhai, Jiaojiao; Xue, Mingqiang; Xu, Fan","Lanthanide amide-catalyzed one-pot functionalization of isatins: synthesis of spiro[cyclopropan-1,3′-oxindoles] and 2-oxoindolin-3-yl phosphates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00640C","","","0.71073","MoKα","","0.059","0.0431","","","0.0977","0.106","","","","","","1.075","","","","has coordinates","195537","2020-10-21","18:00:00",""
"7155588","9.1949","0.0013","10.8105","0.0016","13.5437","0.0019","100.222","0.003","97.215","0.003","111.349","0.003","1207.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 N O5 S2 -","- C25 H25 N O5 S2 -","- C50 H50 N2 O10 S4 -","2","1","","Zhao, Yuyang; Wang, Yurong; Gu, Zhanshou; Wang, Zhiming","[3, 3]-Sigmatropic Rearrangement of Allenic Alcohols: Stereoselective Synthesis of 1,3-Diene-2-ol Sulfonates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00578D","","","0.71073","MoKα","","0.0584","0.0498","","","0.1583","0.1835","","","","","","1.036","","","","has coordinates","195538","2020-10-21","18:00:00",""
"7155589","10.141","0.002","17.015","0.004","14.611","0.002","90","","132.351","0.008","90","","1863.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O5 S -","- C20 H20 O5 S -","- C80 H80 O20 S4 -","4","1","","Zhao, Yuyang; Wang, Yurong; Gu, Zhanshou; Wang, Zhiming","[3, 3]-Sigmatropic Rearrangement of Allenic Alcohols: Stereoselective Synthesis of 1,3-Diene-2-ol Sulfonates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00578D","","","0.71073","MoKα","","0.0552","0.0452","","","0.111","0.1165","","","","","","1.074","","","","has coordinates","195538","2020-10-21","18:00:00",""
"7155590","8.53511","0.00016","13.4671","0.0002","18.5695","0.0003","90","","103.033","0.0018","90","","2079.46","0.06","293.3","0.2","293.3","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cl N O5 S -","- C21 H19 Cl N2 O4 S -","- C84 H76 Cl4 N8 O16 S4 -","4","1","","Li, Honghe; Li, Xiao-Xiao; Zhao, Zhi-Gang; Yuan, Xiao; Sun, Chenyang","Regioselective 1,2-additon of allenamides with N-haloimides: synthesis of 2-halo allylic aminal derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00882A","","x-ray","1.54184","CuKα","","0.0558","0.0531","","","0.1455","0.1489","","","","","","1.06","","","","has coordinates","195618","2020-10-21","18:00:00",""
"7155591","18.9341","0.0008","18.9341","0.0008","38.159","0.003","90","","90","","90","","13680","1.4","103","2","103","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C200 H152 N16 O40 Pd4 -","- C200 H152 N16 O40 Pd4 -","- C400 H304 N32 O80 Pd8 -","2","","","Sekiya, Ryo; Fukuda, Morihiko; Kuroda, Reiko","Site-selective anion recognition of an interlocked dimer","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00328E","","x-ray","0.71073","MoKα","","0.1215","0.0741","","","0.2021","0.2323","","","","","","1","","","","has coordinates,has disorder","195649","2020-10-21","18:00:00",""
"7155592","18.9525","0.0012","18.9525","0.0012","38.292","0.004","90","","90","","90","","13754.4","1.9","103","2","103","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C200 H160 N16 O40 Pd4 -","- C200 H160 N16 O40 Pd4 -","- C400 H320 N32 O80 Pd8 -","2","","","Sekiya, Ryo; Fukuda, Morihiko; Kuroda, Reiko","Site-selective anion recognition of an interlocked dimer","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00328E","","x-ray","0.71073","MoKα","","0.1409","0.099","","","0.2835","0.3174","","","","","","1.092","","","","has coordinates,has disorder","195649","2020-10-21","18:00:00",""
"7155593","6.0667","0.0005","15.3771","0.0013","13.1958","0.0011","90","","93.36","0.003","90","","1228.9","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9.43 Cl1.58 N O2 -","- C14 H9.425 Cl1.575 N O2 -","- C56 H37.7 Cl6.3 N4 O8 -","4","1","","Liang, Dongdong; Sersen, Deanna; Yang, Chao; Deschamps, Jeffrey; Imler, Gregory H.; Jiang, Chao; Xue, Fengtian","One-Pot Sequential Reaction to 2-Substituted-Phenanthridinones from N‒Methoxybenzamides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00649G","","","0.71073","MoKα","","0.0975","0.0622","","","0.1241","0.1343","","","","","","1.189","","","","has coordinates,has disorder","195775","2020-10-21","18:00:00",""
"7155594","8.7653","0.0011","15.5191","0.0017","16.6792","0.0018","67.964","0.01","75.967","0.01","74.401","0.01","2000","0.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 N2 O16 -","- C38 H52 N2 O16 -","- C76 H104 N4 O32 -","2","1","","Lavie-Cambot, Aurélie; Tron, Arnaud; Ducrot, Aurelien; Castet, Frederic; Kauffmann, Brice; Beauté, Louis; Allouchi, Hassan; Pozzo, Jean-Luc; Bonnet, Célia; McClenaghan, Nathan D.","Synthetic water soluble di-/tritopic molecular receptors exhibiting Ca2+/Mg2+ exchange","Org. Biomol. Chem.","2017","","","","","10.1039/C6OB02732F","","","0.71073","MoKα","","0.0882","0.0456","","","0.1089","0.1179","","","","","","0.937","","","","has coordinates,has disorder","195776","2020-10-21","18:00:00",""
"7155595","12.0268","0.0004","13.3697","0.0006","13.7604","0.0005","105.516","0.003","103.403","0.003","112.129","0.004","1832.72","0.16","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H47 N2 O13 -","- C35 H47 N2 O13 -","- C70 H94 N4 O26 -","2","1","","Lavie-Cambot, Aurélie; Tron, Arnaud; Ducrot, Aurelien; Castet, Frederic; Kauffmann, Brice; Beauté, Louis; Allouchi, Hassan; Pozzo, Jean-Luc; Bonnet, Célia; McClenaghan, Nathan D.","Synthetic water soluble di-/tritopic molecular receptors exhibiting Ca2+/Mg2+ exchange","Org. Biomol. Chem.","2017","","","","","10.1039/C6OB02732F","","","0.71073","MoKα","","0.0729","0.0424","","","0.116","0.1364","","","","","","1.005","","","","has coordinates,has disorder","195776","2020-10-21","18:00:00",""
"7155596","15.8422","0.0017","15.8422","0.0017","11.1926","0.0012","90","","90","","120","","2432.7","0.5","130","","130","","","","","","","","organic synthesis","4","P 65","P 65","170","methyl 5-chloro-3-oxo-2-(4-oxopentan-2-yl)-2,3-dihydrobenzofuran-2-carboxylate","methyl 5-chloro-3-oxo-2-(4-oxopentan-2-yl)-2,3-dihydrobenzofuran-2-carboxylate","","- C15 H15 Cl O5 -","- C15 H15 Cl O5 -","- C90 H90 Cl6 O30 -","6","1","","Wang, Haojiang; Wang, Yifeng; Zhang, Cheng; Jiang, Yidong; Chu, Mingming; Li, Zhaobo; Du, Xiaohua; Xu, Danqian","Asymmetric conjugate additions of 2-substituted benzofuran-3(2H)-ones to α,β-unsaturated ketones catalyzed by chiral copper complexes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00677B","","","0.71073","MoKα","","0.0719","0.0535","","","0.1541","0.1733","","","","","","0.924","","","","has coordinates,has disorder","195800","2020-10-21","18:00:00",""
"7155597","12.1722","0.0002","12.4739","0.0003","14.8531","0.0003","66.9784","0.001","77.9463","0.001","76.9647","0.001","2003.74","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21.5 H20 N6 O3.5 -","- C21.5 H20 N6 O3.5 -","- C86 H80 N24 O14 -","4","2","","Behera, Harekrushna; V, Ramkumar; Madhavan, Nandita","Triamide macrocyclic chloride receptors via a one-pot tandem reduction-condensation-cyclization reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00642J","","","0.71073","MoKα","","0.0712","0.0536","","","0.1436","0.161","","","","","","1.021","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7155598","7.2737","0.0003","19.6223","0.0008","26.0959","0.001","90","","94.556","0.002","90","","3712.8","0.3","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C42 H38 N6 O7 -","- C42 H38 N6 O7 -","- C168 H152 N24 O28 -","4","1","","Behera, Harekrushna; V, Ramkumar; Madhavan, Nandita","Triamide macrocyclic chloride receptors via a one-pot tandem reduction-condensation-cyclization reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00642J","","","0.71073","MoKα","","0.1381","0.0848","","","0.2533","0.297","","","","","","1.051","","","","has coordinates","195908","2020-10-21","18:00:00",""
"7155599","9.7883","0.0003","10.7161","0.0004","12.5654","0.0004","83.489","0.002","71.694","0.002","81.618","0.002","1234.74","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 Cl2 N3 O4 -","- C24 H31 Cl2 N3 O4 -","- C48 H62 Cl4 N6 O8 -","2","1","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.0613","0.0499","","","0.1431","0.1531","","","","","","1.033","","","","has coordinates","196223","2020-10-21","18:00:00",""
"7155600","15.3308","0.0004","11.572","0.0003","15.6536","0.0005","90","","97.625","0.002","90","","2752.52","0.13","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Cl2 N3 O6 -","- C27 H35 Cl2 N3 O6 -","- C108 H140 Cl8 N12 O24 -","4","2","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.0672","0.0596","","","0.165","0.1748","","","","","","1.043","","","","has coordinates,has disorder","196223","2020-10-21","18:00:00",""
"7155601","9.0157","0.0009","14.404","0.0015","19.6135","0.0019","90","","90","","90","","2547.1","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl2 N3 O4 -","- C25 H33 Cl2 N3 O4 -","- C100 H132 Cl8 N12 O16 -","4","1","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1022","0.0843","","","0.2116","0.2285","","","","","","1.116","","","","has coordinates","196223","2020-10-21","18:00:00",""
"7155602","12.2705","0.0005","15.0706","0.0006","17.1904","0.0007","90","","91.145","0.003","90","","3178.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 Cl2 N5 O9 -","- C31 H33 Cl2 N5 O9 -","- C124 H132 Cl8 N20 O36 -","4","1","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1737","0.1294","","","0.3075","0.3777","","","","","","2.166","","","","has coordinates","196223","2020-10-21","18:00:00",""
"7155603","8.4007","0.0006","14.3494","0.001","26.2774","0.0017","90","","90","","90","","3167.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 Cl2 N3 O6 -","- C32 H37 Cl2 N3 O6 -","- C128 H148 Cl8 N12 O24 -","4","1","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1339","0.0961","","","0.2332","0.2546","","","","","","1.088","","","","has coordinates","196223","2020-10-21","18:00:00",""
"7155604","10.7729","0.0006","23.4747","0.0012","28.9321","0.0017","90","","90","","90","","7316.7","0.7","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 Cl2 N4 O7 S -","- C34 H42 Cl2 N4 O7 S -","- C272 H336 Cl16 N32 O56 S8 -","8","2","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1695","0.1055","","","0.2699","0.3292","","","","","","1.004","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155605","17.4116","0.0008","19.0364","0.0009","17.372","0.0007","90","","97.836","0.003","90","","5704.3","0.4","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H64 Cl4 N6 O13 -","- C52 H64 Cl4 N6 O13 -","- C208 H256 Cl16 N24 O52 -","4","1","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1078","0.0724","","","0.1928","0.2145","","","","","","1.167","","","","has coordinates","196223","2020-10-21","18:00:00",""
"7155606","14.2849","0.0004","11.9116","0.0004","19.8778","0.0006","90","","90","","90","","3382.33","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H13 N3 O -","- C22 H13 N3 O -","- C176 H104 N24 O8 -","8","1","","Kota, Shiva Kumar; Meesa, Siddi Ramulu; Rajesham, Bandari; Kumar, Naikawadi Praveen; voora, vani; Kancha, Rama Krishna","FeCl3 catalysed 7-membered ring formation in a single pot: a new route to indole-fused oxepines/azepines and their cytotoxic activity","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00715A","","","0.71073","MoKα","","0.069","0.0418","","","0.0972","0.1086","","","","","","0.921","","","","has coordinates","196224","2020-10-21","18:00:00",""
"7155607","14.9957","0.0012","7.6225","0.0006","11.9828","0.001","90","","91.022","0.003","90","","1369.47","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","LWJ-161C","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C68 H60 N12 O4 -","4","1","","Li, Wenjun; Yuan, Huijun; Zhang, Lili; Liu, Zhantao; Liu, Yang; Wang, Jian","NHC-catalyzed 1,3-dipolar cycloaddition reaction of allyl ketone with azide: direct access to 1,4,5-trisubstituted 1,2,3-triazole","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00906B","","","0.71073","MoKα","","0.0472","0.0381","","","0.0883","0.0941","","","","","","1.032","","","","has coordinates","196225","2020-10-21","18:00:00",""
"7155608","18.0647","0.0012","10.9779","0.0008","15.0137","0.001","90","","109.868","0.008","90","","2800.2","0.4","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","anti-5,17-di-tert-butyl-1,2-epoxy-1,2-dimethyl-8,20-dimethoxy[2.6]metacyclophane","","- C32 H46 O3 -","- C32 H46 O3 -","- C128 H184 O12 -","4","0.5","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.2006","0.145","","","0.3909","0.4263","","","","","","1.417","","","","has coordinates","196254","2020-10-21","18:00:00",""
"7155609","18.51","0.0018","11.9741","0.0012","14.7028","0.0015","90","","113.069","0.008","90","","2998.1","0.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","syn-5,19-di-tert-butyl-1,2-epoxy-1,2-dimethyl-8,22-dimethoxy[2.8]metacyclophane","","- C34 H50 O2 -","- C34 H50 O2 -","- C136 H200 O8 -","4","0.5","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.2485","0.1471","","","0.3076","0.3461","","","","","","1.371","","","","has coordinates,has disorder","196254","2020-10-21","18:00:00",""
"7155610","10.8892","0.0005","14.598","0.0006","17.6382","0.0008","90","","91.421","0.006","90","","2802.9","0.2","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","anti-5,17-di-tert-butyl-8,20-dimethoxy-1,2-dimethyl[2.6]metacyclophan-1-ene","","- C32 H46 O2 -","- C32 H46 O2 -","- C128 H184 O8 -","4","1","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.1669","0.1036","","","0.245","0.2843","","","","","","1.033","","","","has coordinates,has disorder","196254","2020-10-21","18:00:00",""
"7155611","9.78317","0.00018","17.0949","0.0003","18.4711","0.0004","90","","104.725","0.007","90","","2987.69","0.14","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","syn-5,19-di-tert-butyl-1,2-epoxy-1,2-dimethyl-8,22-dimethoxy[2.8]metacyclophane","","- C34 H50 O3 -","- C34 H50 O3 -","- C136 H200 O12 -","4","1","","Akther, Thamina; Islam, Md Monarul; Rahman, Shofiur; Georghiou, Paris E.; Matsumoto, Taisuke; Tanaka, Junji; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformations of [2.n]metacyclophan-1-ene epoxides and their conversion to [n.1]metacyclophanes.","Organic & biomolecular chemistry","2017","15","16","3519","3527","10.1039/c7ob00400a","","","1.54187","CuKα","","0.0595","0.047","","","0.1049","0.116","","","","","","1.077","","","","has coordinates","196254","2020-10-21","18:00:00",""
"7155612","8.109","0.0002","9.145","0.0002","9.2939","0.0002","90","","96.4248","0.0006","90","","684.88","0.03","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C32 H40 N4 O2 -","2","1","","Sheth, Vishal M.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Enantioselective total synthesis of (+)-arborescidine C and related tetracyclic indole alkaloids using organocatalysis.","Organic & biomolecular chemistry","2017","15","16","3408","3412","10.1039/c7ob00473g","","","1.54178","CuKα","","0.0258","0.0254","","","0.0657","0.0662","","","","","","1.045","","","","has coordinates","196255","2020-10-21","18:00:00",""
"7155613","5.8639","0.0001","8.5853","0.0002","29.2551","0.0006","90","","90","","90","","1472.8","0.05","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","","Sheth, Vishal M.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Enantioselective total synthesis of (+)-arborescidine C and related tetracyclic indole alkaloids using organocatalysis.","Organic & biomolecular chemistry","2017","15","16","3408","3412","10.1039/c7ob00473g","","","1.54178","CuKα","","0.0361","0.0354","","","0.0902","0.0909","","","","","","1.253","","","","has coordinates,has disorder","196255","2020-10-21","18:00:00",""
"7155614","15.1844","0.0005","20.725","0.0006","6.8775","0.0002","90","","100.961","0.001","90","","2124.84","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H11 B0.5 F N O0.5 -","- C13.5 H11 B0.5 F N O0.5 -","- C108 H88 B4 F8 N8 O4 -","8","1","","Miao, Fang; Lim, Zheng Long; Hu, Pan; Dong, Shaoqiang; Qi, Qingbiao; Zhang, Xiaojie; Wu, Jishan","BODIPY blocked anthroxyl radicals: the substituent effect on reactivity and fluorescence turn-on detection of a hydroxyl radical.","Organic & biomolecular chemistry","2017","15","15","3188","3191","10.1039/c7ob00586e","","","1.54178","CuKα","","0.0501","0.045","","","0.1214","0.1271","","","","","","1.029","","","","has coordinates","196256","2020-10-21","18:00:00",""
"7155615","8.3338","0.0009","12.5679","0.0014","14.0639","0.0016","87.509","0.005","81.274","0.005","75.494","0.005","1409.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.25 H29.5 B Cl0.5 F2 N2 O4 -","- C31.25 H29.5 B Cl0.5 F2 N2 O4 -","- C62.5 H59 B2 Cl F4 N4 O8 -","2","1","","Miao, Fang; Lim, Zheng Long; Hu, Pan; Dong, Shaoqiang; Qi, Qingbiao; Zhang, Xiaojie; Wu, Jishan","BODIPY blocked anthroxyl radicals: the substituent effect on reactivity and fluorescence turn-on detection of a hydroxyl radical.","Organic & biomolecular chemistry","2017","15","15","3188","3191","10.1039/c7ob00586e","","","1.54178","CuKα","","0.0945","0.0822","","","0.2314","0.2449","","","","","","1.081","","","","has coordinates,has disorder","196256","2020-10-21","18:00:00",""
"7155616","9.968","0.002","10.431","0.003","10.921","0.003","62.684","0.004","78.845","0.004","62.833","0.003","897.4","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O -","- C23 H24 O -","- C46 H48 O2 -","2","1","","Diao, Yunxia; Zuo, Zhijun; Wang, Hui; Liu, Jingjing; Luan, Xinjun","Palladium(0)-catalyzed [2+2+1] cyclization of 1,6-enynes with vinyl bromides: a highly diastereoselective synthesis of terahydro-1H-cyclopenta[c]furans bearing two quaternary carbon centers","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00768J","","","0.71073","MoKα","","0.0717","0.0493","","","0.1248","0.1413","","","","","","1.047","","","","has coordinates","196552","2020-10-21","18:00:00",""
"7155617","9.6023","0.0003","11.8204","0.0004","12.0014","0.0006","118.262","0.004","99.616","0.003","94.267","0.003","1164.33","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 I N2 -","- C28 H25 I N2 -","- C56 H50 I2 N4 -","2","1","","Verma, Akhilesh K.; Kumar, Sonu; Mujahid, Mohammad","Regioselective 6-endo-dig Iodocyclization: An accessible approach for Iodo-benzo[a]phenazines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00671C","","","0.71073","MoKα","","0.0391","0.0314","","","0.0697","0.0728","","","","","","1.032","","","","has coordinates","196553","2020-10-21","18:00:00",""
"7155618","34.5876","0.0004","9.19962","0.0001","4.92247","0.00005","90","","90","","90","","1566.29","0.03","123","2","123","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H17 Br F2 O -","- C18 H17 Br F2 O -","- C72 H68 Br4 F8 O4 -","4","0.5","","Konik, Yulia A.; Kudrjashova, Marina; Konrad, Nele; Kaabel, Sandra; Järving, Ivar; Lopp, Margus; Kananovich, Dzmitry","Two-step Conversion of Carboxylic Esters into Distally Fluorinated Ketones via Ring Cleavage of Cyclopropanol Intermediates: Application of Sulfinate Salts as Fluoroalkylating Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00680B","","x-ray","1.54184","CuKα","","0.0236","0.0235","","","0.0626","0.0627","","","","","","1.127","","","","has coordinates,has disorder","196572","2020-10-21","18:00:00",""
"7155619","8.0697","0.0003","32.4621","0.0012","9.8721","0.0004","90","","90.549","0.0017","90","","2585.97","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N2 O2 S -","- C32 H30 N2 O2 S -","- C128 H120 N8 O8 S4 -","4","1","","Chauhan, Dinesh Pratapsinh; Varma, Sreejith Jayasree J.; Gudem, Mahesh; Panigrahi, Nihar; Singh, Khushboo; Hazra, Anirban; Talukdar, Pinaki","Intramolecular cascade rearrangements of enynamine derived ketenimines: Access to acyclic and cyclic amidines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00499K","","","1.54178","CuKα","","0.0503","0.0434","","","0.1306","0.1365","","","","","","1.101","","","","has coordinates","196612","2020-10-21","18:00:00",""
"7155620","12.375","0.004","17.958","0.007","14.179","0.006","90","","91.594","0.01","90","","3150","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N2 O2 S -","- C38 H34 N2 O2 S -","- C152 H136 N8 O8 S4 -","4","1","","Chauhan, Dinesh Pratapsinh; Varma, Sreejith Jayasree J.; Gudem, Mahesh; Panigrahi, Nihar; Singh, Khushboo; Hazra, Anirban; Talukdar, Pinaki","Intramolecular cascade rearrangements of enynamine derived ketenimines: Access to acyclic and cyclic amidines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00499K","","","0.71073","MoKα","","0.2279","0.0805","","","0.1721","0.2471","","","","","","0.912","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155621","8.7353","0.0011","10.2521","0.0013","15.765","0.002","101.925","0.006","98.258","0.006","93.27","0.005","1361.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 N3 O2 S -","- C33 H29 N3 O2 S -","- C66 H58 N6 O4 S2 -","2","1","","Chauhan, Dinesh Pratapsinh; Varma, Sreejith Jayasree J.; Gudem, Mahesh; Panigrahi, Nihar; Singh, Khushboo; Hazra, Anirban; Talukdar, Pinaki","Intramolecular cascade rearrangements of enynamine derived ketenimines: Access to acyclic and cyclic amidines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00499K","","","1.54178","CuKα","","0.1123","0.0948","","","0.2521","0.2636","","","","","","1.782","","","","has coordinates","196612","2020-10-21","18:00:00",""
"7155622","27.148","0.006","6.2305","0.0014","27.401","0.006","90","","92.154","0.005","90","","4631.5","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O2 S -","- C26 H26 N2 O2 S -","- C208 H208 N16 O16 S8 -","8","1","","Chauhan, Dinesh Pratapsinh; Varma, Sreejith Jayasree J.; Gudem, Mahesh; Panigrahi, Nihar; Singh, Khushboo; Hazra, Anirban; Talukdar, Pinaki","Intramolecular cascade rearrangements of enynamine derived ketenimines: Access to acyclic and cyclic amidines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00499K","","","0.71073","MoKα","","0.1176","0.0514","","","0.1315","0.1764","","","","","","0.941","","","","has coordinates","196612","2020-10-21","18:00:00",""
"7155623","9.0423","0.0004","10.9846","0.0005","11.4374","0.0005","91.995","0.002","100.164","0.002","103.818","0.002","1082.32","0.08","0","2","0","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C50 H56 N4 O4 S2 -","2","1","","Chauhan, Dinesh Pratapsinh; Varma, Sreejith Jayasree J.; Gudem, Mahesh; Panigrahi, Nihar; Singh, Khushboo; Hazra, Anirban; Talukdar, Pinaki","Intramolecular cascade rearrangements of enynamine derived ketenimines: Access to acyclic and cyclic amidines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00499K","","","1.54178","CuKα","","0.0619","0.057","","","0.1948","0.2017","","","","","","1.689","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155624","11.7831","0.0005","9.6543","0.0004","17.6007","0.0007","90","","96.297","0.002","90","","1990.13","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Theunissen, Cédric; Métayer, Benoît; Lecomte, Morgan; Henry, Nicolas; Chan, Hwai-Chien; Compain, Guillaume; Gérard, Phidéline; Bachmann, Christian; Mokhtari, Naima; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Cationic polycyclization of ynamides: building up molecular complexity","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00850C","","","0.71073","MoKα","","0.0526","0.0416","","","0.1183","0.1294","","","","","","1.053","","","","has coordinates","196613","2020-10-21","18:00:00",""
"7155625","5.3653","0.0012","15.987","0.003","8.8569","0.0018","90","","99.018","0.009","90","","750.3","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Theunissen, Cédric; Métayer, Benoît; Lecomte, Morgan; Henry, Nicolas; Chan, Hwai-Chien; Compain, Guillaume; Gérard, Phidéline; Bachmann, Christian; Mokhtari, Naima; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Cationic polycyclization of ynamides: building up molecular complexity","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00850C","","","0.71073","MoKα","","0.1039","0.0943","","","0.2378","0.2459","","","","","","1.199","","","","has coordinates","196613","2020-10-21","18:00:00",""
"7155626","11.0053","0.0015","10.9876","0.0014","16.699","0.002","90","","107.056","0.006","90","","1930.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Theunissen, Cédric; Métayer, Benoît; Lecomte, Morgan; Henry, Nicolas; Chan, Hwai-Chien; Compain, Guillaume; Gérard, Phidéline; Bachmann, Christian; Mokhtari, Naima; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Cationic polycyclization of ynamides: building up molecular complexity","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00850C","","","0.71073","MoKα","","0.0409","0.0344","","","0.0933","0.0984","","","","","","1.06","","","","has coordinates","196613","2020-10-21","18:00:00",""
"7155627","9.6403","0.0005","16.1153","0.0008","16.1214","0.0008","90","","90","","90","","2504.6","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 O2 -","- C31 H34 O2 -","- C124 H136 O8 -","4","1","","Zhou, Tao; Li, Shenhuan; Huang, Ben; Li, Cao; Zhao, Yang; Chen, Jieqiong; Chen, Aoling; Xiao, Yuanjin; Liu, Lu; Zhang, Junliang","Phosphine-catalyzed Friedel‒Crafts reaction of naphthols with para-quinone methides: expedient access to triarylmethanes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00911A","","","0.71073","MoKα","","0.0606","0.039","","","0.0844","0.0959","","","","","","1.039","","","","has coordinates","196684","2020-10-21","18:00:00",""
"7155628","7.7171","0.0004","10.6392","0.0006","11.009","0.0004","110.7","0.005","100.085","0.004","101.913","0.005","796.35","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C38 H30 N6 O8 -","2","1","","Zou, Yong; Sheng, Jianfei; Liu, Zhihong; Yan, Ming; Zhang, Xue-jing; Wang, Dejian; Xu, Jun; Zhang, Ensheng","Biomass-involved synthesis of N-substituted benzofuro[2,3-d]pyrimidine-4-amines and biological evaluation as novel EGFR tyrosine kinase inhibitors","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00793K","","x-ray","1.54184","CuKα","","0.0412","0.0385","","","0.1025","0.1054","","","","","","1.0489","","","","has coordinates","196745","2020-10-21","18:00:00",""
"7155629","19.9896","0.0004","7.31234","0.0001","20.2663","0.0004","90","","106.139","0.0019","90","","2845.59","0.09","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C144 H112 O32 -","8","2","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54184","CuKα","","0.0697","0.067","","","0.1826","0.1841","","","","","","1.125","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155630","15.81826","0.00015","9.23296","0.0001","8.32936","0.00009","90","","90","","90","","1216.5","0.02","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","0.5","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54184","CuKα","","0.038","0.037","","","0.1057","0.1068","","","","","","1.109","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155631","23.6448","0.0005","7.0895","0.0001","18.3229","0.0004","90","","119.266","0.002","90","","2679.42","0.1","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 O4 -","- C17 H12 O4 -","- C136 H96 O32 -","8","1","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54178","CuKα","","0.0419","0.0378","","","0.1028","0.1072","","","","","","1.054","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155632","14.16761","0.00006","7.46338","0.00004","28.10737","0.00012","90","","103.616","0.0004","90","","2888.5","0.02","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 Br2 O2 -","- C16 H10 Br2 O2 -","- C128 H80 Br16 O16 -","8","1","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54184","CuKα","","0.0306","0.0304","","","0.0799","0.0801","","","","","","1.083","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155633","9.5443","0.0001","19.2006","0.0002","20.0739","0.0002","90","","90","","90","","3678.67","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C184 H152 N24 O16 -","8","2","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54184","CuKα","","0.0407","0.0369","","","0.091","0.0938","","","","","","1.012","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155634","7.84858","0.00005","15.11182","0.00007","13.51546","0.00009","90","","101.048","0.0006","90","","1573.31","0.017","175","2","175","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Br4 O2 -","- C16 H8 Br4 O2 -","- C64 H32 Br16 O8 -","4","1","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54184","CuKα","","0.0257","0.0251","","","0.0636","0.064","","","","","","1.173","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155635","13.54378","0.00008","13.54378","0.00008","48.366","0.0003","90","","90","","120","","7683.35","0.08","150","2","150","2","","","","","","","","3","P 61","P 61","169","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C432 H288 O36 -","18","3","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54178","CuKα","","0.0318","0.0315","","","0.0829","0.083","","","","","","1.041","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155636","13.2049","0.0004","20.8347","0.0006","22.084","0.0006","102.297","0.001","100.464","0.001","91.103","0.002","5827","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H78 N O13.5 -","- C68 H78 N O13.5 -","- C272 H312 N4 O54 -","4","2","","Ke, Wen; Wu, Xin-Lang; chen, yi; Hu, Wen-Jing; Liu, Yahu; Jia, Xueshun; Li, Jiu-Sheng; Jiang, Biao","Bis- and mono(m-benzoic acid)-functionalized pillar[5]arenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00984D","","","0.82673","Synchrotron","","0.0746","0.0703","","","0.1948","0.2002","","","","","","1.045","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7155637","18.8983","0.0013","5.7625","0.0004","13.2709","0.0012","90","","116.426","0.008","90","","1294.21","0.19","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H9 I O2 -","- C15 H9 I O2 -","- C60 H36 I4 O8 -","4","1","","Mancuso, Raffaella; Pomelli, Christian Silvio; Malafronte, Francesco; Maner, Asif; Marino, Nadia; Chiappe, Cinzia; Gabriele, Bartolo","Divergent syntheses of iodinated isobenzofuranones and isochromenones by iodolactonization of 2-alkynylbenzoic acids in ionic liquids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00962C","","","0.71073","MoKα","","0.0724","0.0629","","","0.1764","0.1954","","","","","","1.129","","","","has coordinates","196748","2020-10-21","18:00:00",""
"7155638","13.9685","0.0019","7.1901","0.0009","12.5256","0.0016","90","","90","","90","","1258","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H13 I O2 -","- C13 H13 I O2 -","- C52 H52 I4 O8 -","4","0.5","","Mancuso, Raffaella; Pomelli, Christian Silvio; Malafronte, Francesco; Maner, Asif; Marino, Nadia; Chiappe, Cinzia; Gabriele, Bartolo","Divergent syntheses of iodinated isobenzofuranones and isochromenones by iodolactonization of 2-alkynylbenzoic acids in ionic liquids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00962C","","","0.71073","MoKα","","0.0353","0.0317","","","0.0856","0.1048","","","","","","1.339","","","","has coordinates","196748","2020-10-21","18:00:00",""
"7155639","31.9591","0.0004","33.2764","0.0004","10.3208","0.0001","90","","90","","90","","10976","0.2","130","","130","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H31 N3 O5 -","- C32 H31 N3 O5 -","- C512 H496 N48 O80 -","16","1","","Li, Can; Lu, Han; Sun, Xiao-Xue; Mei, Guang-Jian; Shi, Feng","Diastereo- and Enantioselective Construction of Spirooxindole Scaffolds through a Catalytic Asymmetric [3+3] Cycloaddition","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01059A","","","1.54178","CuKα","","0.0436","0.0418","","","0.113","0.1149","","","","","","1.038","","","","has coordinates","196749","2020-10-21","18:00:00",""
"7155640","11.0983","0.0007","16.4648","0.001","16.7317","0.0008","63.011","0.005","72.188","0.007","78.909","0.007","2588.7","0.3","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C76.5 H64 -","- C76.5 H64 -","- C153 H128 -","2","1","","Fujikawa, Takao; Mitoma, Nobuhiko; Wakamiya, Atsushi; Saeki, Akinori; Segawa, Yasutomo; Itami, Kenichiro","Synthesis, Properties, and Crystal Structures of π-Extended Double [6]Helicenes: Contorted Multi-Dimensional Stacking Lattice","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00987A","","","0.71075","MoKα","","0.1027","0.0713","","","0.1617","0.199","","","","","","1.187","","","","has coordinates,has disorder","196750","2020-10-21","18:00:00",""
"7155641","16.046","0.003","26.399","0.005","11.908","0.002","90","","110.469","0.003","90","","4725.7","1.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C66 H52 S4 -","- C66 H52 S4 -","- C264 H208 S16 -","4","0.5","","Fujikawa, Takao; Mitoma, Nobuhiko; Wakamiya, Atsushi; Saeki, Akinori; Segawa, Yasutomo; Itami, Kenichiro","Synthesis, Properties, and Crystal Structures of π-Extended Double [6]Helicenes: Contorted Multi-Dimensional Stacking Lattice","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00987A","","","0.71075","MoKα","","0.0927","0.0753","","","0.1903","0.2061","","","","","","1.114","","","","has coordinates,has disorder","196750","2020-10-21","18:00:00",""
"7155642","7.1098","0.001","5.6455","0.0008","14.581","0.002","90","","90.522","0.007","90","","585.23","0.14","180","","180","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(1,1,2,2-tetrafluoroethyl)-4-p-tolyl-1H-1,2,3-triazole","","- C11 H9 F4 N3 -","- C11 H9 F4 N3 -","- C22 H18 F8 N6 -","2","1","","Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr","Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01151B","","x-ray","1.54178","CuKα","","0.0887","0.082","","0.1027","0.0921","0.0921","","","","","","1.0405","","","","has coordinates","196786","2020-10-21","18:00:00",""
"7155643","18.6519","0.0009","5.6223","0.0003","27.0706","0.0013","90","","90","","90","","2838.8","0.2","180","","180","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(2-(4-bromo-1H-pyrazol-1-yl)-1,1,2,2-tetrafluoroethyl)-4-phenyl-1H-1,2,3-triazole","","- C13 H8 Br F4 N5 -","- C13 H8 Br F4 N5 -","- C104 H64 Br8 F32 N40 -","8","2","","Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr","Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01151B","","x-ray","1.54178","CuKα","","0.04","0.0305","","0.0434","0.0303","0.0303","","","","","","1.0981","","","","has coordinates","196786","2020-10-21","18:00:00",""
"7155644","16.0915","0.0014","7.1728","0.0006","31.911","0.003","90","","104.303","0.003","90","","3569","0.5","180","","180","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5-iodo-4-phenyl-1-(1,1,2,2-tetrafluoro-2-(4-methoxyphenoxy)ethyl)-1H-1,2,3-triazole","","- C17 H12 F4 I N3 O2 -","- C17 H12 F4 I N3 O2 -","- C136 H96 F32 I8 N24 O16 -","8","1","","Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr","Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01151B","","x-ray","1.54178","CuKα","","0.1225","0.0879","","0.1026","0.0831","0.0831","","","","","","1.1113","","","","has coordinates","196786","2020-10-21","18:00:00",""
"7155645","18.5871","0.0012","5.6567","0.0004","15.3181","0.0011","90","","95.884","0.006","90","","1602.08","0.19","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-phenyl-1-(1,1,2,2-tetrafluoro-2-(4-methoxyphenoxy)ethyl)-1H-1,2,3-triazole","","- C17 H13 F4 N3 O2 -","- C17 H13 F4 N3 O2 -","- C68 H52 F16 N12 O8 -","4","1","","Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr","Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01151B","","x-ray","1.5418","CuKα","","0.0636","0.0477","","0.0543","0.0476","0.0476","","","","","","1.1449","","","","has coordinates","196786","2020-10-21","18:00:00",""
"7155646","5.3006","0.0006","8.666","0.001","35.753","0.004","90","","90","","90","","1642.3","0.3","180","","180","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(1,1,2,2-tetrafluoro-2-(phenylthio)ethyl)-4-(p-tolyl)-1H-1,2,3-triazole","","- C17 H13 F4 N3 S -","- C17 H13 F4 N3 S -","- C68 H52 F16 N12 S4 -","4","1","","Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr","Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01151B","","x-ray","1.54178","CuKα","","0.0773","0.0621","","0.0679","0.0587","0.0587","","","","","","0.9687","","","","has coordinates","196786","2020-10-21","18:00:00",""
"7155647","12.7355","0.0006","9.6324","0.0004","9.0837","0.0004","90","","102.202","0.001","90","","1089.15","0.08","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-fluoro-2-(phenylsulfonyl)thietane 1,1-dioxide","","- C9 H9 F O4 S2 -","- C9 H9 F O4 S2 -","- C36 H36 F4 O16 S8 -","4","1","","Parisi, Giovanna; Degennaro, Leonardo; Carlucci, Claudia; de Candia, Modesto; Mastrorilli, Pietro; Roller, Alexander; Holzer, Wolfgang; Altomare, Cosimo Damiano; Pace, Vittorio; Luisi, Renzo","A Greener and Efficient Access to Substituted Four- and Six-membered Sulfur-bearing Heterocycles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00846E","","x-ray","0.71073","MoKα","","0.0345","0.0318","","","0.0872","0.0887","","","","","","1.03","","","","has coordinates","196787","2020-10-21","18:00:00",""
"7155648","17.037","0.001","10.9283","0.001","8.8054","0.0006","90","","90","","90","","1639.4","0.2","100","","100","","","","","","","","","4","C m c 21","C 2c -2","36","","2,6-dibenzyltetrahydro-2H-thiopyran 1,1-dioxide","","- C19 H22 O2 S -","- C19 H22 O2 S -","- C76 H88 O8 S4 -","4","0.5","","Parisi, Giovanna; Degennaro, Leonardo; Carlucci, Claudia; de Candia, Modesto; Mastrorilli, Pietro; Roller, Alexander; Holzer, Wolfgang; Altomare, Cosimo Damiano; Pace, Vittorio; Luisi, Renzo","A Greener and Efficient Access to Substituted Four- and Six-membered Sulfur-bearing Heterocycles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00846E","","x-ray","1.54178","CuKα","","0.0644","0.0636","","","0.1697","0.1719","","","","","","1.058","","","","has coordinates","196787","2020-10-21","18:00:00",""
"7155649","8.8749","0.0015","6.3714","0.0012","15.789","0.003","90","","95.698","0.006","90","","888.4","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(1,1-dioxido-2,4-thietanediyl)bis{[4-(trifluoromethyl)phenyl]}","","- C19 H12 F6 O4 S -","- C19 H12 F6 O4 S -","- C38 H24 F12 O8 S2 -","2","1","","Parisi, Giovanna; Degennaro, Leonardo; Carlucci, Claudia; de Candia, Modesto; Mastrorilli, Pietro; Roller, Alexander; Holzer, Wolfgang; Altomare, Cosimo Damiano; Pace, Vittorio; Luisi, Renzo","A Greener and Efficient Access to Substituted Four- and Six-membered Sulfur-bearing Heterocycles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00846E","","x-ray","0.71073","MoKα","","0.0548","0.0461","","","0.1158","0.1203","","","","","","1.038","","","","has coordinates","196787","2020-10-21","18:00:00",""
"7155650","6.9602","0.0006","31.951","0.003","8.3374","0.0007","90","","103.572","0.004","90","","1802.3","0.3","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,1-dioxido-2,4-thietanediyl)bis{[4-(trifluoromethyl)phenyl]}","","- C19 H12 F6 O4 S -","- C19 H12 F6 O4 S -","- C76 H48 F24 O16 S4 -","4","1","","Parisi, Giovanna; Degennaro, Leonardo; Carlucci, Claudia; de Candia, Modesto; Mastrorilli, Pietro; Roller, Alexander; Holzer, Wolfgang; Altomare, Cosimo Damiano; Pace, Vittorio; Luisi, Renzo","A Greener and Efficient Access to Substituted Four- and Six-membered Sulfur-bearing Heterocycles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00846E","","x-ray","0.71073","MoKα","","0.0534","0.0486","","","0.1253","0.1283","","","","","","1.097","","","","has coordinates","196787","2020-10-21","18:00:00",""
"7155651","9.6118","0.0005","9.9839","0.0005","26.2874","0.0014","90","","90","","90","","2522.6","0.2","293","0.1","293","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Cl F3 N3 O7 S -","- C24 H17 Cl F3 N3 O7 S -","- C96 H68 Cl4 F12 N12 O28 S4 -","4","1","","Zhu, Yuanyuan; Li, Boyu; Wang, Cui; Dong, Zhenghao; Zhong, Xiaoling; Wang, Kairong; Yan, Wenjin; Wang, Rui","Asymmetric Synthesis of CF3-Containing Tetrahydroquinoline via Thiourea-Catalyzed Cascade Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01013C","","","0.7107","MoKα","","0.0664","0.0486","","","0.0949","0.1086","","","","","","1.062","","","","has coordinates","196788","2020-10-21","18:00:00",""
"7155652","9.9489","0.0007","10.0773","0.0005","51.389","0.003","90","","90","","90","","5152.2","0.5","292.65","0.16","292.65","0.16","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br F3 N3 O7 S -","- C24 H17 Br F3 N3 O7 S -","- C192 H136 Br8 F24 N24 O56 S8 -","8","2","","Zhu, Yuanyuan; Li, Boyu; Wang, Cui; Dong, Zhenghao; Zhong, Xiaoling; Wang, Kairong; Yan, Wenjin; Wang, Rui","Asymmetric Synthesis of CF3-Containing Tetrahydroquinoline via Thiourea-Catalyzed Cascade Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01013C","","","0.7107","MoKα","","0.1158","0.0683","","","0.1196","0.149","","","","","","1.053","","","","has coordinates","196788","2020-10-21","18:00:00",""
"7155653","8.9339","0.0009","11.2293","0.0011","13.7571","0.0008","78.616","0.006","88.105","0.007","69.424","0.009","1265.7","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","2","","Piens, Nicola; Van Hecke, Kristof; Vogt, Dieter; D'hooghe, Matthias","Cobalt carbonyl-catalyzed carbonylation of functionalized aziridines to versatile β-lactam building blocks","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00832E","","x-ray","1.54184","CuKα","","0.1253","0.0831","","","0.1618","0.188","","","","","","1.032","","","","has coordinates","204136","2020-10-21","18:00:00",""
"7155654","14.6008","0.0004","8.3244","0.0003","15.3345","0.0005","90","","99.473","0.003","90","","1838.38","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Piens, Nicola; Van Hecke, Kristof; Vogt, Dieter; D'hooghe, Matthias","Cobalt carbonyl-catalyzed carbonylation of functionalized aziridines to versatile β-lactam building blocks","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00832E","","x-ray","1.54184","CuKα","","0.044","0.0393","","","0.1008","0.1053","","","","","","1.045","","","","has coordinates","196897","2020-10-21","18:00:00",""
"7155655","7.6298","0.0002","18.0069","0.0007","18.6575","0.0006","96.857","0.003","98.399","0.003","100.637","0.003","2463.87","0.15","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C114 H114 N6 O24 -","6","3","","Piens, Nicola; Van Hecke, Kristof; Vogt, Dieter; D'hooghe, Matthias","Cobalt carbonyl-catalyzed carbonylation of functionalized aziridines to versatile β-lactam building blocks","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00832E","","x-ray","1.54184","CuKα","","0.0829","0.0538","","","0.1349","0.161","","","","","","1.025","","","","has coordinates","196897","2020-10-21","18:00:00",""
"7155656","12.777","0.0017","16.254","0.002","17.725","0.002","90","","90","","90","","3681.1","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C160 H160 N16 O40 -","8","1","","Liu, Jie-Jie; Cheng, Liang; Huang, Hong-Yan; Wei, Feng; Wang, Dong; Liu, Li","Unprecedented formation of 3-(tetrahydrofuran-2-yl)-4H-chromen-4-one in the reaction between 3,3a-dihydro-9H-furo[3,4-b]chromen-9-one with malononitrile","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00904F","","","0.71073","MoKα","","0.0675","0.0594","","","0.1268","0.1323","","","","","","1.138","","","","has coordinates","196996","2020-10-21","18:00:00",""
"7155657","13.668","0.003","14.731","0.003","13.261","0.003","90","","111.59","0.03","90","","2482.7","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cl N2 O7 -","- C27 H23 Cl N2 O7 -","- C108 H92 Cl4 N8 O28 -","4","1","","Liu, Jie-Jie; Cheng, Liang; Huang, Hong-Yan; Wei, Feng; Wang, Dong; Liu, Li","Unprecedented formation of 3-(tetrahydrofuran-2-yl)-4H-chromen-4-one in the reaction between 3,3a-dihydro-9H-furo[3,4-b]chromen-9-one with malononitrile","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00904F","","","0.71073","MoKα","","0.0648","0.0569","","","0.1215","0.1264","","","","","","1.154","","","","has coordinates","196996","2020-10-21","18:00:00",""
"7155658","7.6133","0.0015","10.8331","0.0017","11.794","0.002","103.557","0.008","95.557","0.009","108.701","0.007","879.9","0.3","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O7 -","- C21 H18 O7 -","- C42 H36 O14 -","2","1","","Liu, Jie-Jie; Cheng, Liang; Huang, Hong-Yan; Wei, Feng; Wang, Dong; Liu, Li","Unprecedented formation of 3-(tetrahydrofuran-2-yl)-4H-chromen-4-one in the reaction between 3,3a-dihydro-9H-furo[3,4-b]chromen-9-one with malononitrile","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00904F","","","0.710747","MoKα","","0.0569","0.0505","","","0.111","0.1149","","","","","","1.143","","","","has coordinates","196996","2020-10-21","18:00:00",""
"7155659","7.8755","0.0004","11.9538","0.0006","13.5136","0.0008","66.584","0.003","88.943","0.003","81.445","0.003","1153.28","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Br N2 O4 -","- C24 H29 Br N2 O4 -","- C48 H58 Br2 N4 O8 -","2","1","","Cui, Hai-Lei; Peng, Li-Jie; Zhou, Hai-Lin; You, Xiao-Lin; Jiang, Xiao-Jie","Stereoselective Synthesis of Enamino Ketones Through Aza-Michael/Hydrolysis Cascade","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01032J","","","0.71073","MoKα","","0.067","0.0424","","","0.1255","0.1439","","","","","","1.007","","","","has coordinates","196997","2020-10-21","18:00:00",""
"7155660","8.5462","0.0017","9.7412","0.0019","12.085","0.002","90.29","0.03","104.04","0.03","94.61","0.03","972.6","0.3","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C46 H40 N4 O8 -","2","1","","Guo, Hongchao; Gao, Xing; Li, Zhen; Yang, Wenjun; Liu, Yang; Chen, Wufeng; Zhang, Cheng; Zheng, Lufei","Phosphine-Catalyzed [3+2] and [4+2] Annulation Reactions of Ynones with Barbiturate-derived Alkenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01034F","","","0.71073","MoKα","","0.0734","0.0644","","","0.1352","0.1425","","","","","","1.152","","","","has coordinates","197065","2020-10-21","18:00:00",""
"7155661","8.989","0.004","5.73","0.003","36.156","0.016","90","","96.682","0.006","90","","1849.6","1.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C92 H80 N8 O16 -","4","1","","Guo, Hongchao; Gao, Xing; Li, Zhen; Yang, Wenjun; Liu, Yang; Chen, Wufeng; Zhang, Cheng; Zheng, Lufei","Phosphine-Catalyzed [3+2] and [4+2] Annulation Reactions of Ynones with Barbiturate-derived Alkenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01034F","","","0.71073","MoKα","","0.0774","0.0714","","","0.1666","0.1711","","","","","","1.181","","","","has coordinates","197065","2020-10-21","18:00:00",""
"7155662","15.04","0.003","8.7022","0.0015","15.9","0.003","90","","115.384","0.002","90","","1880.1","0.6","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C92 H80 N8 O16 -","4","1","","Guo, Hongchao; Gao, Xing; Li, Zhen; Yang, Wenjun; Liu, Yang; Chen, Wufeng; Zhang, Cheng; Zheng, Lufei","Phosphine-Catalyzed [3+2] and [4+2] Annulation Reactions of Ynones with Barbiturate-derived Alkenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01034F","","","0.71073","MoKα","","0.0519","0.0488","","","0.111","0.1132","","","","","","1.127","","","","has coordinates","197065","2020-10-21","18:00:00",""
"7155663","7.9869","0.0009","9.5322","0.0012","16.242","0.002","79.589","0.004","83.633","0.004","86.893","0.004","1208","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O7 S2 -","- C24 H26 N2 O7 S2 -","- C48 H52 N4 O14 S4 -","2","1","","Varshnaya, Rohit Kumar; Banerjee, Prabal","Construction of Thiazines and Oxathianes via [3+3] Annulation of N Tosylaziridinedicarboxylates and Oxiranes with 1,4-dithian-2,5-diol : Application Towards the Synthesis of Bioactive Molecules","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00941K","","","0.71073","MoKα","","0.046","0.0392","","","0.1072","0.112","","","","","","1.056","","","","has coordinates","197127","2020-10-21","18:00:00",""
"7155664","5.7679","0.0019","9.859","0.003","13.531","0.004","73.54","0.03","85.59","0.03","81.51","0.03","729.3","0.4","295.35","0.1","295.35","0.1","","","","","","","","5","P -1","-P 1","2","","(E)-2,2-difluoro-1-(piperidin-1-yl)-4-(p-tolyl)but-3-en-1-one","","- C16 H19 F2 N O -","- C16 H19 F2 N O -","- C32 H38 F4 N2 O2 -","2","1","","Wan, Wen; Li, jialiang; Ma, Bin Guo; Chen, Yunrong; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","Ag(I)-catalyzed Oxidative Decarboxylation of Difluoroacetates with Activated Alkenes to Form Difluorooxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00955K","","x-ray","0.71073","MoKα","","0.1435","0.066","","","0.14","0.1998","","","","","","1.056","","","","has coordinates","197128","2020-10-21","18:00:00",""
"7155665","14.8634","0.0009","9.0465","0.0006","16.6597","0.0013","90","","90","","90","","2240.1","0.3","169.9","","169.9","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","2","","Wu, Zi-Jun; Huang, Kenneth L.; Huang, Zhi-Zhen","A cascade C‒H functionalization/cyclization reaction of N-arylpyridin-2-amines with α,β-unsaturated aldehydes for the synthesis of dihydroquinolinone derivatives under rhodium catalysis","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00743D","","","0.71073","MoKα","","0.0499","0.0391","","","0.0886","0.0969","","","","","","1.035","","","","has coordinates","197129","2020-10-21","18:00:00",""
"7155666","8.2625","0.0004","9.6405","0.0004","17.8895","0.0007","90","","90","","90","","1424.98","0.11","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 F9 O4 -","- C11 H11 F9 O4 -","- C44 H44 F36 O16 -","4","1","","Silvestri, Anthony Paul; Dawson, Philip Edward","Base-catalyzed Diastereoselective Trimerization of Trifluoroacetone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01094J","","x-ray","0.71073","MoKα","","0.0352","0.031","","","0.0741","0.0774","","","","","","1.055","","","","has coordinates","197558","2020-10-21","18:00:00",""
"7155667","7.82","0.0013","9.4398","0.0016","16.743","0.003","90","","97.709","0.009","90","","1224.8","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 F9 O3 -","- C9 H9 F9 O3 -","- C36 H36 F36 O12 -","4","1","","Silvestri, Anthony Paul; Dawson, Philip Edward","Base-catalyzed Diastereoselective Trimerization of Trifluoroacetone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01094J","","x-ray","0.71073","MoKα","","0.0572","0.0399","","","0.1002","0.108","","","","","","1.016","","","","has coordinates","197558","2020-10-21","18:00:00",""
"7155668","6.3866","0.0001","10.6043","0.0002","19.7027","0.0003","90","","90","","90","","1334.37","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Moloney, Mark G.; Josa-Cullere, Laia; Towers, Christopher; Willenbrock, Frances; Macauley, Valentine; Christensen, Kirsten","Synthesis and bioactivity of fused- and spiro‒lactone-lactam systems","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01148B","","","1.5418","CuKα","","0.028","0.0263","","0.0669","0.0655","0.0669","","","","","","1.0034","","","","has coordinates","197559","2020-10-21","18:00:00",""
"7155669","10.0438","0.0009","10.0438","0.0009","29.02","0.003","90","","90","","90","","2927.5","0.5","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C13 H14 F N O5 S -","- C13 H14 F N O5 S -","- C104 H112 F8 N8 O40 S8 -","8","1","","Yan, Shenghu; Cao, Shengyu; sun, jiangtao","Synthesis of Seven-Membered Heterocycles via Copper-Catalyzed Cross-Coupling of Terminal Alkynes with Diazo Compounds and Sequential Michael Addition","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01091E","","","0.71073","MoKα","","0.0747","0.0447","","","0.1068","0.1204","","","","","","1.032","","","","has coordinates","197640","2020-10-21","18:00:00",""
"7155670","10.558","0.002","16.971","0.004","8.182","0.003","90","","90","","90","","1466","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H12 N2 O5 -","- C15 H12 N2 O5 -","- C60 H48 N8 O20 -","4","1","","Zhang, Huaiyuan; Su, Yingpeng; Wang, Ke-Hu; Huang, Danfeng; Li, Jun; Hu, Yulai","Synthesis of N-Acetoxy-N-arylamides via Diacetoxyiodobenzene Promoted Double Acylation Reaction of Hydroxylamines with Aldehydes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00855D","","x-ray","1.54184","CuKα","","0.1024","0.0564","","","0.1397","0.1872","","","","","","0.976","","","","has coordinates","197641","2020-10-21","18:00:00",""
"7155671","16.036","0.003","7.932","0.002","22.399","0.003","90","","101.857","0.011","90","","2788.3","1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","rac-(3S,5aR,6S,9S,9aS,10R)-methyl 10-bromo-1-oxo-3,4,5,5a,6,9-hexahydro-1H-6,9-ethano-3,9a-methanobenzo[c]oxepine-7-carboxylate","","- C15 H17 Br O4 -","- C15 H17 Br O4 -","- C120 H136 Br8 O32 -","8","1","","BROSSARD, Dominique; Retailleau, Pascal; Dumontet, Vincent; Breton, Philippe; Desrat, Sandy; Roussi, Fanny","Fast & easy preparation of 3D scaffolds from methyl benzoate by a diversity oriented synthesis strategy based on Diels-Alder and ene-reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01236E","","","0.71073","MoKα","","0.0493","0.0333","","","0.0797","0.0878","","","","","","1.027","","","","has coordinates","197679","2020-10-21","18:00:00",""
"7155672","18.318","0.001","7.395","0.001","12.871","0.001","90","","108.64","0.05","90","","1652.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Cs O6 -","- C15 H21 Cs O6 -","- C60 H84 Cs4 O24 -","4","1","","BROSSARD, Dominique; Retailleau, Pascal; Dumontet, Vincent; Breton, Philippe; Desrat, Sandy; Roussi, Fanny","Fast & easy preparation of 3D scaffolds from methyl benzoate by a diversity oriented synthesis strategy based on Diels-Alder and ene-reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01236E","","","0.71073","MoKα","","0.0737","0.0624","","","0.1755","0.1835","","","","","","1.104","","","","has coordinates","197679","2020-10-21","18:00:00",""
"7155673","8.759","0.002","10.165","0.002","11.997","0.002","90","","97.231","0.014","90","","1059.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rac-(6aR,10aS)-3,3a,4,5,6,6a,7,8-octahydro-3,6-methanobenzo[h] indole-2,11(1H)-dione","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","BROSSARD, Dominique; Retailleau, Pascal; Dumontet, Vincent; Breton, Philippe; Desrat, Sandy; Roussi, Fanny","Fast & easy preparation of 3D scaffolds from methyl benzoate by a diversity oriented synthesis strategy based on Diels-Alder and ene-reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01236E","","","0.71073","MoKα","","0.0878","0.0496","","","0.1084","0.1263","","","","","","1.043","","","","has coordinates","197679","2020-10-21","18:00:00",""
"7155674","8.4275","0.0009","17.516","0.0013","8.9932","0.0007","90","","99.603","0.007","90","","1308.9","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","BROSSARD, Dominique; Retailleau, Pascal; Dumontet, Vincent; Breton, Philippe; Desrat, Sandy; Roussi, Fanny","Fast & easy preparation of 3D scaffolds from methyl benzoate by a diversity oriented synthesis strategy based on Diels-Alder and ene-reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01236E","","","1.54187","CuKα","","0.0856","0.065","","","0.15","0.1856","","","","","","1.039","","","","has coordinates","197679","2020-10-21","18:00:00",""
"7155675","10.9176","0.001","12.7548","0.0009","13.084","0.001","70.366","0.007","85.295","0.007","69.235","0.007","1603.1","0.2","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 Br Cl2 O6 S3 -","- C30 H31 Br O6 S3 -","- C60 H62 Br2 O12 S6 -","2","1","","Rizzacasa, Mark A.; Fisher, Brendan; Lepage, Romain; White, Jonathan; Ye, Young; Krenske, Elizabeth","An Unprecedented Stereoselective Base-Induced Trimerization of an α-Bromovinylsulfone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01121K","","x-ray","1.54184","CuKα","","0.0429","0.0383","","","0.103","0.1077","","","","","","1.024","","","","has coordinates","197731","2020-10-21","18:00:00",""
"7155676","9.1037","0.0004","18.2464","0.0008","9.7398","0.0005","90","","105.614","0.002","90","","1558.17","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F2 N3 O3 -","- C15 H15 F2 N3 O3 -","- C60 H60 F8 N12 O12 -","4","1","","Han, Wenyong; Zhao, Jia; Wang, Jian-Shu; Xiang, Guang-Yan; Zhang, Ding-Lei; Bai, Mei; Cui, Baodong; Wan, Nanwei; Chen, Yongzheng","Diastereoselective [3+2] cycloaddition of 3-ylideneoxindoles with in situ generated CF2HCHN2: Syntheses of CF2H-containing spirooxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01266G","","","0.71073","MoKα","","0.0879","0.0483","","","0.1174","0.1355","","","","","","1.021","","","","has coordinates,has disorder","197798","2020-10-21","18:00:00",""
"7155677","8.1522","0.0005","9.14","0.0006","12.4646","0.0008","89.726","0.005","76.757","0.005","63.771","0.007","806","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 F2 N3 O4 -","- C16 H17 F2 N3 O4 -","- C32 H34 F4 N6 O8 -","2","1","","Han, Wenyong; Zhao, Jia; Wang, Jian-Shu; Xiang, Guang-Yan; Zhang, Ding-Lei; Bai, Mei; Cui, Baodong; Wan, Nanwei; Chen, Yongzheng","Diastereoselective [3+2] cycloaddition of 3-ylideneoxindoles with in situ generated CF2HCHN2: Syntheses of CF2H-containing spirooxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01266G","","x-ray","0.71073","MoKα","","0.0566","0.0467","","","0.1074","0.1151","","","","","","1.052","","","","has coordinates","197798","2020-10-21","18:00:00",""
"7155678","10.7505","0.0005","12.0115","0.0005","14.5754","0.0007","90","","106.876","0.005","90","","1801.06","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 F2 N3 O3 -","- C20 H17 F2 N3 O3 -","- C80 H68 F8 N12 O12 -","4","1","","Han, Wenyong; Zhao, Jia; Wang, Jian-Shu; Xiang, Guang-Yan; Zhang, Ding-Lei; Bai, Mei; Cui, Baodong; Wan, Nanwei; Chen, Yongzheng","Diastereoselective [3+2] cycloaddition of 3-ylideneoxindoles with in situ generated CF2HCHN2: Syntheses of CF2H-containing spirooxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01266G","","x-ray","0.71073","MoKα","","0.058","0.0461","","","0.1027","0.1117","","","","","","1.03","","","","has coordinates","197798","2020-10-21","18:00:00",""
"7155679","8.1398","0.0003","12.3213","0.0004","16.5028","0.0005","90","","102.686","0.002","90","","1614.71","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3a","","- C18 H13 N O2 S2 -","- C18 H13 N O2 S2 -","- C72 H52 N4 O8 S8 -","4","1","","Mahato, Karuna; Ray Bagdi, Prasanta; Khan, Abu Taleb","K2CO3 catalyzed regioselective synthesis of thieno[2,3-b]thiochromen-4-one oximes: Access to the corresponding Amine and Nitroso derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01033H","","","0.71073","MoKα","","0.0721","0.0462","","","0.1","0.1115","","","","","","1.003","","","","has coordinates","197799","2020-10-21","18:00:00",""
"7155680","6.3128","0.0003","18.0467","0.0009","12.6157","0.0005","90","","96.132","0.004","90","","1429.02","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5a","","- C17 H9 N O2 S2 -","- C17 H9 N O2 S2 -","- C68 H36 N4 O8 S8 -","4","1","","Mahato, Karuna; Ray Bagdi, Prasanta; Khan, Abu Taleb","K2CO3 catalyzed regioselective synthesis of thieno[2,3-b]thiochromen-4-one oximes: Access to the corresponding Amine and Nitroso derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01033H","","","0.71073","MoKα","","0.0782","0.0496","","","0.0869","0.102","","","","","","1.006","","","","has coordinates","197799","2020-10-21","18:00:00",""
"7155681","18.1202","0.0005","12.7017","0.0003","14.342","0.0004","90","","113.133","0.001","90","","3035.51","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4f","","- C17 H10 Br N O S2 -","- C17 H10 Br N O S2 -","- C136 H80 Br8 N8 O8 S16 -","8","2","","Mahato, Karuna; Ray Bagdi, Prasanta; Khan, Abu Taleb","K2CO3 catalyzed regioselective synthesis of thieno[2,3-b]thiochromen-4-one oximes: Access to the corresponding Amine and Nitroso derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01033H","","","0.71073","MoKα","","0.0984","0.0464","","","0.1141","0.1386","","","","","","1.008","","","","has coordinates","197799","2020-10-21","18:00:00",""
"7155682","16.7723","0.0014","5.696","0.0004","19.6942","0.0015","90","","113.699","0.01","90","","1722.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 S2 -","- C18 H18 O2 S2 -","- C72 H72 O8 S8 -","4","1","","Liu, Zhuqing; Huang, Fei; Lou, Jiang; Wang, Quannan; Yu, Zhengkun","Copper-Promoted Direct C-H Alkoxylation of S,S-Functionalized Internal Olefins with Alcohols","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01234A","","","0.71073","MoKα","","0.0737","0.0428","","","0.0956","0.1144","","","","","","1.036","","","","has coordinates","197800","2020-10-21","18:00:00",""
"7155683","8.2708","0.0005","19.5714","0.0012","10.5066","0.0008","90","","103.832","0.002","90","","1651.4","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N5 O -","- C20 H17 N5 O -","- C80 H68 N20 O4 -","4","1","","cui, dongmei; Zhang, Chen; Li, JInjing; Song, Chan","Copper (II) catalyzed iodine-promoted oxidative cyclization of 2-amino-1,3,5-triazines and chalcones: synthesis of aroylimidazo[1,2-a][1,3,5]triazines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01018D","","","0.71073","MoKα","","0.1242","0.0639","","","0.1244","0.1556","","","","","","1.001","","","","has coordinates","197841","2020-10-21","18:00:00",""
"7155684","10.27418","0.00011","12.53092","0.00012","10.87663","0.00016","90","","107.895","0.001","90","","1332.57","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O9 -","- C29 H42 O9 -","- C58 H84 O18 -","2","1","","Zhou, Shi-Wen; Zheng, Qingfei; Huang, Xiuyong; Wang, Yong; Luo, Sifan; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai; Tian, Hai-Yan","Isolation and identification of L/D-lactate-conjugated bufadienolides from toad eggs revealing lactate racemization in amphibians","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01055A","","","1.54184","CuKα","","0.0569","0.0559","","","0.1467","0.1483","","","","","","1.042","","","","has coordinates","197842","2020-10-21","18:00:00",""
"7155685","32.2353","0.0003","7.66968","0.00008","10.48751","0.00013","90","","99.2221","0.0011","90","","2559.36","0.05","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H38 O9 -","- C27 H38 O9 -","- C108 H152 O36 -","4","1","","Zhou, Shi-Wen; Zheng, Qingfei; Huang, Xiuyong; Wang, Yong; Luo, Sifan; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai; Tian, Hai-Yan","Isolation and identification of L/D-lactate-conjugated bufadienolides from toad eggs revealing lactate racemization in amphibians","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01055A","","","1.54178","CuKα","","0.0382","0.038","","","0.1093","0.1097","","","","","","1.052","","","","has coordinates","197842","2020-10-21","18:00:00",""
"7155686","6.26417","0.00006","18.04765","0.00014","10.53779","0.0001","90","","91.2643","0.0009","90","","1191.05","0.019","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H36 O8 -","- C27 H36 O8 -","- C54 H72 O16 -","2","1","","Zhou, Shi-Wen; Zheng, Qingfei; Huang, Xiuyong; Wang, Yong; Luo, Sifan; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai; Tian, Hai-Yan","Isolation and identification of L/D-lactate-conjugated bufadienolides from toad eggs revealing lactate racemization in amphibians","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01055A","","","1.54184","CuKα","","0.026","0.0255","","","0.0647","0.0652","","","","","","1.028","","","","has coordinates","197842","2020-10-21","18:00:00",""
"7155687","9.499","0.0002","10.4196","0.0003","12.8765","0.0005","90","","96.497","0.003","90","","1266.28","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H38 N0 O8 -","- C27 H38 O8 -","- C54 H76 O16 -","2","1","","Zhou, Shi-Wen; Zheng, Qingfei; Huang, Xiuyong; Wang, Yong; Luo, Sifan; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai; Tian, Hai-Yan","Isolation and identification of L/D-lactate-conjugated bufadienolides from toad eggs revealing lactate racemization in amphibians","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01055A","","","1.54184","CuKα","","0.0565","0.0452","","","0.1215","0.13","","","","","","1.006","","","","has coordinates","197842","2020-10-21","18:00:00",""
"7155688","8.624","0.003","9.752","0.004","26.737","0.01","90","","90","","90","","2248.6","1.5","293","2","293","2","","","","","","","organic synthesis","5","P 21 21 21","P 2ac 2ab","19","(2R,3S)-3-(3-chlorophenyl)-3'-methyl-1'-phenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","(2R,3S)-3-(3-chlorophenyl)-3'-methyl-1'-phenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","","- C26 H17 Cl N2 O4 -","- C26 H17 Cl N2 O4 -","- C104 H68 Cl4 N8 O16 -","4","1","","Xia, Ai-Bao; Zhang, Xiao-Long; Tang, Chengke; Feng, Kai-Xiang; Du, Xiao-Hua; Xu, Danqian","One-pot Asymmetric Synthesis of Spiro[dihydrofurocoumarin/ pyrazolone] Scaffolds by Michael Addition/I2-Mediated Cyclization Sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00986K","","","0.71073","MoKα","","0.1508","0.1238","","","0.2984","0.3136","","","","","","1.138","","","","has coordinates","197878","2020-10-21","18:00:00",""
"7155689","8.743","0.002","9.675","0.003","15.147","0.004","90","","94.291","0.006","90","","1277.7","0.6","293","2","293","2","","","","","","","organic synthesis","6","P 1 21 1","P 2yb","4","Annulated hydroxycoumarin","(2R,3S)-3-(3-bromophenyl)-3'-methyl-1'-phenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","","- C27 H19 Br Cl2 N2 O4 -","- C27 H19 Br Cl2 N2 O4 -","- C54 H38 Br2 Cl4 N4 O8 -","2","1","","Xia, Ai-Bao; Zhang, Xiao-Long; Tang, Chengke; Feng, Kai-Xiang; Du, Xiao-Hua; Xu, Danqian","One-pot Asymmetric Synthesis of Spiro[dihydrofurocoumarin/ pyrazolone] Scaffolds by Michael Addition/I2-Mediated Cyclization Sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00986K","","","0.71073","MoKα","","0.1018","0.0599","","","0.1321","0.1521","","","","","","1.018","","","","has coordinates","197878","2020-10-21","18:00:00",""
"7155690","8.3497","0.0011","9.7735","0.0013","27.653","0.004","90","","90","","90","","2256.6","0.5","293","2","293","2","","","","","","","organic synthesis","4","P 21 21 21","P 2ac 2ab","19","(2R,3S)-3'-ethyl-1',3-diphenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","(2R,3S)-3'-ethyl-1',3-diphenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","","- C27 H20 N2 O4 -","- C27 H20 N2 O4 -","- C108 H80 N8 O16 -","4","1","","Xia, Ai-Bao; Zhang, Xiao-Long; Tang, Chengke; Feng, Kai-Xiang; Du, Xiao-Hua; Xu, Danqian","One-pot Asymmetric Synthesis of Spiro[dihydrofurocoumarin/ pyrazolone] Scaffolds by Michael Addition/I2-Mediated Cyclization Sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00986K","","","0.71073","MoKα","","0.0616","0.0435","","","0.0934","0.1012","","","","","","1.02","","","","has coordinates","197878","2020-10-21","18:00:00",""
"7155691","11.6493","0.0004","7.9939","0.0003","19.75","0.001","90","","94.522","0.003","90","","1833.46","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C92 H72 N8 O8 -","4","1","","Wang, Changcheng; Jiang, Hangqi; Chen, Weifeng; Dong, Jun; Chen, Zhengwang; Cao, Hua","Silver-Catalyzed [3+2] Domino Reaction: An Efficient Strategy to Synthesize Imidazole-5-carbaldehydes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01242J","","","0.71073","MoKα","","0.1358","0.0645","","","0.1727","0.2117","","","","","","1.041","","","","has coordinates","197879","2020-10-21","18:00:00",""
"7155692","9.9836","0.0008","11.1199","0.0009","12.6582","0.0011","90","","90","","90","","1405.3","0.2","298","1","298","1","","","","","","","Botrytis cinerea fungus","3","P 21 21 21","P 2ac 2ab","19","","presilphiperfolan-8,10,14-triol","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Franco dos Santos, Gabriel; Moraga, Javier; Takahashi, Jacqueline A.; Viaud, Muriel; Hanson, James R.; Hern�ndez- Gal�n, Rosario; Collado, I. G.","The formation of sesquiterpenoid presilphiperfolane and cameroonane metabolites in the Bcbot4 null mutant of Botrytis cinerea","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01088E","","","0.71073","MoKα","","0.0578","0.0465","","","0.1074","0.115","","","","","","1.05","","","","has coordinates","197880","2020-10-21","18:00:00",""
"7155693","8.8617","0.0007","13.1073","0.0012","28.6","0.002","90","","90","","90","","3322","0.5","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","isopropyl (S,Z)-2-((tert-butylsulfinyl)imino)-2-(4-fluorophenyl)acetate","","- C15 H20 F N O3 S -","- C15 H20 F N O3 S -","- C120 H160 F8 N8 O24 S8 -","8","2","","Wei, qiaoling; Zhang, Feng; zhao, xiaofang; Wang, Chao; Xiao, Jianling; Tang, Weijun","Ru-catalyzed highly diastereoselective hydrogenation of N-tert-butylsulfinyl ketimines for the synthesis of aryl glycine derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01329A","","x-ray","0.71073","MoKα","","0.0685","0.0546","","","0.107","0.1165","","","","","","1.045","","","","has coordinates","197881","2020-10-21","18:00:00",""
"7155694","7.428","0.004","10.364","0.007","10.401","0.006","60.81","0.02","86.52","0.03","88.14","0.03","697.7","0.7","157.54","","157.54","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N10 O8 -","- C26 H26 N10 O8 -","- C26 H26 N10 O8 -","1","0.5","","Nizalapur, Shashidhar; Kimyon, Onder; Yee, Eugene; Bhadbhade, Mohan; Manefield, Mike; Willcox, Mark D.P.; Black, David StClair; Kumar, Naresh","Synthesis and Biological Evaluation of Novel Acyclic and Cyclic Glyoxamides as Bacterial Quorum Sensing and Biofilm Inhibitors","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01011G","","","0.71073","MoKα","","0.1642","0.0659","","","0.129","0.1668","","","","","","0.918","","","","has coordinates","197909","2020-10-21","18:00:00",""
"7155695","9.7434","0.0005","9.8225","0.0005","12.0241","0.0006","92.357","0.002","104.697","0.003","106.384","0.002","1060.01","0.1","153.54","","153.54","","","","","","","","","5","P -1","-P 1","2","","","","- C8.5 H11.5 N2.5 O2.5 S -","- C8.5 H11.5 N2.5 O2.5 S -","- C34 H46 N10 O10 S4 -","4","2","","Nizalapur, Shashidhar; Kimyon, Onder; Yee, Eugene; Bhadbhade, Mohan; Manefield, Mike; Willcox, Mark D.P.; Black, David StClair; Kumar, Naresh","Synthesis and Biological Evaluation of Novel Acyclic and Cyclic Glyoxamides as Bacterial Quorum Sensing and Biofilm Inhibitors","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01011G","","","0.71073","MoKα","","0.0556","0.0394","","","0.0933","0.1032","","","","","","1.041","","","","has coordinates,has disorder","197909","2020-10-21","18:00:00",""
"7155696","11.66","0.003","12.79","0.002","20.164","0.005","75.148","0.011","83.74","0.012","72.575","0.013","2771.5","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H46 N4 O8 S2 -","- C56 H46 N4 O8 S2 -","- C112 H92 N8 O16 S4 -","2","1","","Li, Cong-Xiang; Liu, Rui-Juan; Yin, Kun; Wen, Li-Rong; Li, Ming","Synthesis of disulfides tethered pyrroles from β-ketothioamides via bicyclization/ring-opening/oxidative coupling reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00655A","","","0.71073","MoKα","","0.0873","0.071","","","0.181","0.1936","","","","","","1.081","","","","has coordinates,has disorder","197910","2020-10-21","18:00:00",""
"7155697","18.382","0.005","12.608","0.003","10.333","0.003","90","","97.036","0.003","90","","2376.7","1.1","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 F N2 O4 S -","- C28 H19 F N2 O4 S -","- C112 H76 F4 N8 O16 S4 -","4","1","","Li, Cong-Xiang; Liu, Rui-Juan; Yin, Kun; Wen, Li-Rong; Li, Ming","Synthesis of disulfides tethered pyrroles from β-ketothioamides via bicyclization/ring-opening/oxidative coupling reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00655A","","","0.71073","MoKα","","0.0555","0.0485","","","0.0899","0.0939","","","","","","1.168","","","","has coordinates","197910","2020-10-21","18:00:00",""
"7155698","24.0516","0.0014","8.6236","0.0005","20.5558","0.001","90","","106.207","0.003","90","","4094.1","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 N2 O2.5 -","- C23 H22.5 N2 O2.5 -","- C184 H180 N16 O20 -","8","1","","Fan, Zhoulong; Lu, Heng; Li, Wei; Geng, Kaijun; Zhang, Ao","Rhodium-Catalyzed Redox-Neutral Coupling of Phenidones with Alkynes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01271C","","","0.71073","MoKα","","0.1382","0.1177","","","0.3849","0.4122","","","","","","1.768","","","","has coordinates","197911","2020-10-21","18:00:00",""
"7155699","16.8419","0.0005","8.6097","0.0002","23.3066","0.0006","90","","98.94","0.001","90","","3338.49","0.15","120","2","120","2","","","","","","","synthesized by the authors","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 -","- C46 H38 -","- C184 H152 -","4","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","1.54178","CuKα","","0.0728","0.0574","","","0.1369","0.1458","","","","","","1.057","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155700","9.9228","0.0004","12.9083","0.0006","16.2089","0.0007","75.028","0.002","85.12","0.002","71.846","0.002","1905.8","0.15","150","2","150","2","","","","","","","synthesized by the authors","3","P -1","-P 1","2","","","","- C51 H39 Cl3 -","- C51 H39 Cl3 -","- C102 H78 Cl6 -","2","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","0.71073","MoKα","","0.0531","0.0424","","","0.1181","0.1239","","","","","","1.05","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155701","8.8276","0.0003","11.6527","0.0003","18.174","0.0005","91.534","0.001","90.277","0.001","107.972","0.001","1777.45","0.09","150","2","150","2","","","","","","","synthesized by the authors","3","P -1","-P 1","2","","","","- C49 H40 O -","- C49 H40 O -","- C98 H80 O2 -","2","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","1.54178","CuKα","","0.056","0.0431","","","0.1022","0.1095","","","","","","1.04","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155702","9.4308","0.0002","17.6455","0.0003","18.5101","0.0003","90","","92.764","0.001","90","","3076.7","0.1","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 O -","- C43 H36 O -","- C172 H144 O4 -","4","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","0.71073","MoKα","","0.0517","0.0409","","","0.1025","0.1112","","","","","","1.029","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155703","16.9235","0.0004","9.141","0.0002","28.7305","0.0007","90","","100.728","0.001","90","","4366.86","0.18","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 B10 O -","- C51 H50 B10 O -","- C204 H200 B40 O4 -","4","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","1.54178","CuKα","","0.0546","0.0455","","","0.1154","0.1211","","","","","","1.028","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155704","8.333","0.0002","11.6908","0.0003","18.3693","0.0004","88.57","0.001","86.248","0.001","72.826","0.001","1706.04","0.07","150","2","150","2","","","","","","","synthesized by the authors","2","P -1","-P 1","2","","","","- C48 H38 -","- C48 H38 -","- C96 H76 -","2","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","0.71073","MoKα","","0.0657","0.0474","","","0.1275","0.1392","","","","","","1.056","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155705","35.6573","0.0008","9.6469","0.0002","22.6588","0.0004","90","","128.858","0.0005","90","","6069.4","0.2","150","2","150","2","","","","","","","synthesized by the authors","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H33 Cl -","- C42 H33 Cl -","- C336 H264 Cl8 -","8","1","","Kaiser, Reinhard Peter; Mosinger, Jiri; Cisarova, Ivana; Kotora, Martin","Synthesis of Selectively 4-Substituted 9,9´-Spirobifluorenes and Modulation of Their Photophysical Properties.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01319A","","","0.71073","MoKα","","0.0528","0.0425","","","0.1098","0.1179","","","","","","1.041","","","","has coordinates","197912","2020-10-21","18:00:00",""
"7155706","14.207","0.005","5.497","0.005","24.708","0.005","90","0.005","106.065","0.005","90","0.005","1854.2","1.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Indole-C3-thio pyridine derivative1","Indole-C3-thio pyridine derivative1","","- C23 H20 N2 S -","- C23 H20 N2 S -","- C92 H80 N8 S4 -","4","1","","Chowdhury, Hrishikesh; Goswami, Avijit","Synthesis of 3-(2-Thiopyridiyl)indoles via Ruthenium Catalyzed [2+2+2] Cycloaddition of Diynes and 3-Thiocyanatoindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01101F","","","0.71073","MoKα","","0.2434","0.069","","","0.1112","0.1534","","","","","","0.984","","","","has coordinates","197913","2020-10-21","18:00:00",""
"7155707","10.825","0.005","8.969","0.005","15.96","0.005","90","0.005","101.245","0.005","90","0.005","1519.8","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Indole-C3-thio cyanide","Indole-C3-thio cyanide","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","","Chowdhury, Hrishikesh; Goswami, Avijit","Synthesis of 3-(2-Thiopyridiyl)indoles via Ruthenium Catalyzed [2+2+2] Cycloaddition of Diynes and 3-Thiocyanatoindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01101F","","","0.71073","MoKα","","0.0676","0.0458","","","0.111","0.1227","","","","","","1.049","","","","has coordinates","197913","2020-10-21","18:00:00",""
"7155708","17.5208","0.0009","12.0966","0.0007","12.4375","0.0006","90","","94.984","0.002","90","","2626.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Indole-C3-thio pyridine derivative2","Indole-C3-thio pyridine derivative2","","- C31 H30 N2 O2 S -","- C31 H30 N2 O2 S -","- C124 H120 N8 O8 S4 -","4","1","","Chowdhury, Hrishikesh; Goswami, Avijit","Synthesis of 3-(2-Thiopyridiyl)indoles via Ruthenium Catalyzed [2+2+2] Cycloaddition of Diynes and 3-Thiocyanatoindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01101F","","","0.71073","MoKα","","0.0781","0.0533","","","0.1257","0.14","","","","","","1.049","","","","has coordinates","197913","2020-10-21","18:00:00",""
"7155709","10.1014","0.0007","11.8755","0.0008","19.3441","0.0014","80.723","0.003","80.515","0.004","89.777","0.004","2258.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","3-thio Indole-derivative","3-thio Indole-derivative","","- C28 H22 N2 O S -","- C28 H22 N2 O S -","- C112 H88 N8 O4 S4 -","4","2","","Chowdhury, Hrishikesh; Goswami, Avijit","Synthesis of 3-(2-Thiopyridiyl)indoles via Ruthenium Catalyzed [2+2+2] Cycloaddition of Diynes and 3-Thiocyanatoindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01101F","","","0.71073","MoKα","","0.2438","0.1196","","","0.217","0.263","","","","","","1.083","","","","has coordinates","197913","2020-10-21","18:00:00",""
"7155710","8.2713","0.0011","15.4059","0.0017","10.6562","0.0014","90","","100.751","0.004","90","","1334.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 F3 N3 O -","- C13 H12 F3 N3 O -","- C52 H48 F12 N12 O4 -","4","1","","Ji, Heng; Ni, Hui-qiong; Zhi, Peng; Xi, Zi-wei; Wang, Wei; Shi, Jian-jun; Shen, Yong-miao","Visible-light mediated directed perfluoroalkylation of hydrazones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01144J","","","0.71073","MoKα","","0.106","0.0528","","","0.0946","0.1113","","","","","","1.043","","","","has coordinates","197960","2020-10-21","18:00:00",""
"7155711","21.57","0.004","5.4827","0.0009","19.132","0.003","90","","104.557","0.004","90","","2190","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 F17 N2 O -","- C19 H13 F17 N2 O -","- C76 H52 F68 N8 O4 -","4","1","","Ji, Heng; Ni, Hui-qiong; Zhi, Peng; Xi, Zi-wei; Wang, Wei; Shi, Jian-jun; Shen, Yong-miao","Visible-light mediated directed perfluoroalkylation of hydrazones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01144J","","","0.71073","MoKα","","0.1492","0.1024","","","0.263","0.2893","","","","","","1.161","","","","has coordinates,has disorder","197960","2020-10-21","18:00:00",""
"7155712","15.1069","0.0003","18.0326","0.0004","18.7735","0.0004","90","","100.397","0.002","90","","5030.24","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 N2 Pd -","- C26 H32 Cl2 N2 Pd -","- C208 H256 Cl16 N16 Pd8 -","8","2","","Chen, Fu-Min; Lu, Dong-Dong; Hu, Li-Qun; Huang, Ju; Liu, Feng-Shou","Camphyl-based α-Diimine Palladium Complexes: Highly Efficient Precatalysts for Direct Arylation of Thiazoles in Open-Air","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00856B","","","1.54178","CuKα","","0.059","0.0535","","","0.1296","0.1345","","","","","","1.056","","","","has coordinates","197961","2020-10-21","18:00:00",""
"7155713","15.0879","0.0014","17.9838","0.0017","8.8566","0.0009","90","","103.191","0.003","90","","2339.7","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N4 O5 -","- C25 H24 N4 O5 -","- C100 H96 N16 O20 -","4","1","","Balalaie, Saeed; Shamakli, Mohammad; Nikbakht, Ali -; S. Alavijeh, Nahid; Rominger, Frank -; Rostamizadeh, Shahnaz; Bijanzadeh, Hamid Raza -","Direct access to isoxazolino and isoxazolo benzazepines from 2-((hydroxyimino)methyl) benzoic acid via a post-Ugi heteroannulation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01142C","","","0.71073","MoKα","","0.0878","0.0552","","","0.1458","0.1632","","","","","","1.086","","","","has coordinates,has disorder","198025","2020-10-21","18:00:00",""
"7155714","8.6689","0.0003","10.6916","0.0004","13.0284","0.0004","77.844","0.003","81.09","0.003","71.413","0.003","1113.85","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O5 -","- C25 H24 N4 O5 -","- C50 H48 N8 O10 -","2","1","","Balalaie, Saeed; Shamakli, Mohammad; Nikbakht, Ali -; S. Alavijeh, Nahid; Rominger, Frank -; Rostamizadeh, Shahnaz; Bijanzadeh, Hamid Raza -","Direct access to isoxazolino and isoxazolo benzazepines from 2-((hydroxyimino)methyl) benzoic acid via a post-Ugi heteroannulation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01142C","","","1.54178","CuKα","","0.0548","0.0352","","","0.0783","0.0828","","","","","","0.848","","","","has coordinates","198025","2020-10-21","18:00:00",""
"7155715","8.2136","0.0007","10.294","0.0009","22.413","0.002","85.572","0.007","88.689","0.009","69.865","0.005","1773.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","22-membered pentamide Unclosed Cryptand","","","- C30 H33.25 N7 O13.1 -","- C30.004 H33.25 N7 O13.1 -","- C60.008 H66.5 N14 O26.2 -","2","1","","Dąbrowa, Kajetan; Ulatowski, Filip; Lichosyt, Dawid; Jurczak, Janusz","Catching chloride: searching for non-Hofmeister selectivity behavior in systematically varied polyamide macrocyclic receptors","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01385J","","","0.71073","MoKα","","0.068","0.0503","","","0.1631","0.1744","","","","","","1.092","","","","has coordinates,has disorder","198131","2020-10-21","18:00:00",""
"7155716","9.9445","0.0006","15.7022","0.0008","30.3358","0.0018","90","","98.244","0.005","90","","4688","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H65 Cl N8 O10 -","- C44 H65 Cl N8 O10 -","- C176 H260 Cl4 N32 O40 -","4","1","","Dąbrowa, Kajetan; Ulatowski, Filip; Lichosyt, Dawid; Jurczak, Janusz","Catching chloride: searching for non-Hofmeister selectivity behavior in systematically varied polyamide macrocyclic receptors","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01385J","","","0.71073","MoKα","","0.0615","0.0327","","","0.0731","0.078","","","","","","0.916","","","","has coordinates","198131","2020-10-21","18:00:00",""
"7155717","7.0259","0.0003","6.8005","0.0003","14.1172","0.0006","90","","93.843","0.004","90","","673","0.05","111.7","","111.7","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C32 H32 O12 -","2","1","","Zhu, Hui; Yang, Ya-nan; Xu, Kuo; Xie, Jing; Feng, Zi-ming; Jiang, Jian-shuang; Zhang, pei cheng","Sophopterocarpan A, a novel pterocarpine derivative with a benzotetrahydrofuran-fused bicyclo [3.3.1] nonane from Sophora flavescens","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01261F","","","1.5418","CuKα","","0.0364","0.035","","","0.0926","0.0944","","","","","","1.034","","","","has coordinates","198132","2020-10-21","18:00:00",""
"7155718","10.7682","0.0005","18.6312","0.0008","10.2412","0.0005","90","","110.113","0.001","90","","1929.34","0.15","284","2","284","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O2 S2 -","- C19 H23 N O2 S2 -","- C76 H92 N4 O8 S8 -","4","1","","Liu, Tao; Tian, Jun; Gao, Wenchao; Chang, Hong hong; Liu, Qiang; Li, Xing; Wei, Wen long","Intermolecular Sulfenoamination of Alkenes with Sulfonylamides and N-Sulfanylsuccinimides to Access beta-Sulfonylamino Sulfides and Dihydrobenzothiazines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01225J","","","0.71073","MoKα","","0.0773","0.053","","","0.143","0.1627","","","","","","1.007","","","","has coordinates","198158","2020-10-21","18:00:00",""
"7155719","10.7451","0.0004","24.1196","0.0008","10.5407","0.0004","90","","100.488","0.001","90","","2686.17","0.17","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl N O3 S2 -","- C29 H27 Cl N O3 S2 -","- C116 H108 Cl4 N4 O12 S8 -","4","1","","Liu, Tao; Tian, Jun; Gao, Wenchao; Chang, Hong hong; Liu, Qiang; Li, Xing; Wei, Wen long","Intermolecular Sulfenoamination of Alkenes with Sulfonylamides and N-Sulfanylsuccinimides to Access beta-Sulfonylamino Sulfides and Dihydrobenzothiazines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01225J","","","0.71073","MoKα","","0.0913","0.0614","","","0.1417","0.1569","","","","","","1.063","","","","has coordinates","198158","2020-10-21","18:00:00",""
"7155720","17.0838","0.0003","5.23428","0.00009","14.8641","0.0003","90","","90.8577","0.0017","90","","1329.02","0.04","150","0.1","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Paterson, Andrew; Heron, Callum; McMullin, Claire; Mahon, Mary F.; Press, Neil J.; Frost, Christopher G.","α-halo carbonyls enable meta selective primary, secondary and tertiary C-H alkylations by ruthenium catalysis","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01192J","","","1.54184","CuKα","","0.0421","0.0369","","","0.0957","0.0998","","","","","","1.016","","","","has coordinates","198159","2020-10-21","18:00:00",""
"7155721","37.637","0.003","4.9401","0.0005","11.5774","0.0011","90","","94.936","0.003","90","","2144.6","0.3","273","0.2","273","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H19 F5 O -","- C27 H19 F5 O -","- C108 H76 F20 O4 -","4","1","","Yamada, Shigeyuki; Miyano, Kazuya; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio; Hosokai, Takuya","Fluorine-containing bistolanes as light-emitting liquid crystalline molecules","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01369H","","","0.71073","MoKα","","0.0521","0.0395","","","0.1149","0.1265","","","","","","0.876","","","","has coordinates","198160","2020-10-21","18:00:00",""
"7155722","6.003","0.0005","7.6051","0.0007","40.901","0.003","90","","92.432","0.008","90","","1865.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H11 F5 O -","- C23 H11 F5 O -","- C92 H44 F20 O4 -","4","1","","Yamada, Shigeyuki; Miyano, Kazuya; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio; Hosokai, Takuya","Fluorine-containing bistolanes as light-emitting liquid crystalline molecules","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01369H","","","0.71073","MoKα","","0.0975","0.0628","","","0.1675","0.2093","","","","","","1.036","","","","has coordinates","198160","2020-10-21","18:00:00",""
"7155723","5.5711","0.0001","14.4715","0.0004","15.8198","0.0005","90","","94.691","0.002","90","","1271.15","0.06","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Cui, Baodong; Shang, Jing; Yuan, Changlun; Han, Wen-Yong; Wan, Nanwei; Chen, Yong-Zheng","Synthesis of 2,3'-Spirobi[indolin]-2-ones Enabled by a Tandem Nucleophilic Benzylation/C(sp2)-N Cross-Coupling Reaction Sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01343D","","","1.54184","CuKα","","0.0437","0.0394","","","0.105","0.1104","","","","","","1.047","","","","has coordinates","198161","2020-10-21","18:00:00",""
"7155724","11.908","0.002","17.703","0.004","17.953","0.004","84.06","0.03","70.79","0.03","86.23","0.03","3552.7","1.4","93","2","93","2","","","","","","","synthesis","4","P 1","P 1","1","","Z-(Leu-Leu-AC6)2-Leu-Leu-OMe.3EtOH","","- C62 H107 N8 O16.5 -","- C62 H107 N8 O16.5 -","- C124 H214 N16 O33 -","2","2","","Furukawa, Kaori; Oba, Makoto; Toyama, Kotomi; Opiyo, George Ouma; Demizu, Yosuke; Kurihara, Masaaki; Doi, Mitsunobu; Tanaka, Masakazu","Low pH-triggering Changes in Peptide Secondary Structures","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01374D","","","0.71073","MoKα","","0.1642","0.0998","","","0.2421","0.3067","","","","","","0.963","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155725","10.478","0.002","12.291","0.002","17.574","0.003","90","","93.197","0.002","90","","2259.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O6 S -","- C24 H22 N2 O6 S -","- C96 H88 N8 O24 S4 -","4","1","","Mao, Hui; You, Bingxin; Zhou, Liejin; Xie, Tingting; Wen, Yihang; Lv, Xin; Wang, Xiaoxia","SmI2-mediated reductive cyclization of β-arylthio ketones: a facile and diastereoselective synthesis of thiochroman derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01082F","","","0.71073","MoKα","","0.0826","0.0475","","","0.1117","0.1384","","","","","","0.89","","","","has coordinates","198230","2020-10-21","18:00:00",""
"7155726","7.6687","0.0009","9.7813","0.0011","9.8658","0.0011","116.485","0.003","91.631","0.003","102.325","0.003","640.6","0.13","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Cl N4 O -","- C12 H13 Cl N4 O -","- C24 H26 Cl2 N8 O2 -","2","1","","Collet, Jurrien; Foley, Christopher; Shaw, Arthur Y.; Orru, Romano; Ruijter, E.; Hulme, Christopher","Copper (I) Catalyzed Oxidative Hydrolysis of Ugi 3-Component and Ugi-Azide Reaction Products Towards 2o α-Ketoamides and α-Ketotetrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00881C","","","0.71073","MoKα","","0.0408","0.0354","","","0.0822","0.0857","","","","","","1.027","","","","has coordinates,has disorder","198276","2020-10-21","18:00:00",""
"7155727","6.6815","0.0003","15.5318","0.0006","20.9543","0.0008","90","","95.279","0.001","90","","2165.32","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Cl N -","- C25 H34 Cl N -","- C100 H136 Cl4 N4 -","4","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0439","0.0339","","","0.0762","0.081","","","","","","1.061","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155728","11.575","0.0001","21.5349","0.0003","18.6398","0.0004","90","","97.633","0.0001","90","","4605.11","0.12","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 B Cl2 F10 Li N2 O -","- C47 H52 B Cl2 F10 Li N2 O -","- C188 H208 B4 Cl8 F40 Li4 N8 O4 -","4","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.1242","0.0749","","","0.1256","0.1513","","","","","","1.098","","","","has coordinates,has disorder","198305","2020-10-21","18:00:00",""
"7155729","11.9795","0.0002","16.9234","0.0003","15.3648","0.0003","90","","96.686","0.001","90","","3093.78","0.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 B F10 Li N2 -","- C29 H28 B F10 Li N2 -","- C116 H112 B4 F40 Li4 N8 -","4","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0989","0.071","","","0.1426","0.1548","","","","","","1.042","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155730","10.4348","0.0003","31.1087","0.0008","11.4021","0.0003","90","","108.364","0.001","90","","3512.78","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 B F10 Li N O -","- C38 H37 B F10 Li N O -","- C152 H148 B4 F40 Li4 N4 O4 -","4","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","1.54178","CuKα","","0.0401","0.0356","","","0.0888","0.0914","","","","","","1.035","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155731","10.1438","0.0008","19.1936","0.0016","10.2323","0.0008","90","","91.835","0.009","90","","1991.2","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H30 B2 F20 Li N -","- C42 H30 B2 F20 Li N -","- C84 H60 B4 F40 Li2 N2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","1.54178","CuKα","","0.0494","0.038","","","0.0823","0.0869","","","","","","1.029","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155732","10.2492","0.0003","11.9411","0.0003","18.0278","0.0005","80.152","0.001","74.012","0.001","74.399","0.001","2031.64","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H41 B Cl2 F10 Li N O -","- C44 H41 B Cl2 F10 Li N O -","- C88 H82 B2 Cl4 F20 Li2 N2 O2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","1.54178","CuKα","","0.0428","0.0365","","","0.0895","0.0931","","","","","","1.044","","","","has coordinates,has disorder","198305","2020-10-21","18:00:00",""
"7155733","11.5212","0.0004","12.3482","0.0004","17.2949","0.0006","74.832","0.001","84.57","0.001","84.573","0.001","2357.86","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C47.5 H55 B Cl3 F10 Li N2 O -","- C47.5 H55 B Cl3 F10 Li N2 O -","- C95 H110 B2 Cl6 F20 Li2 N4 O2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0563","0.0396","","","0.0862","0.0938","","","","","","1.04","","","","has coordinates,has disorder","198305","2020-10-21","18:00:00",""
"7155734","11.386","0.0002","12.1287","0.0003","15.1316","0.0003","91.934","0.002","94.577","0.001","99.948","0.001","2049.25","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H50 B F10 Li N2 O -","- C38 H50 B F10 Li N2 O -","- C76 H100 B2 F20 Li2 N4 O2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0744","0.0603","","","0.1347","0.1428","","","","","","1.041","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155735","12.3926","0.0009","14.9007","0.0013","16.795","0.0014","72.685","0.005","82.243","0.005","84.547","0.005","2928.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 B F10 Li N -","- C30 H29 B F10 Li N -","- C120 H116 B4 F40 Li4 N4 -","4","2","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","1.54178","CuKα","","0.106","0.0621","","","0.1521","0.1816","","","","","","1.034","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155736","9.8919","0.0003","11.1034","0.0004","11.1528","0.0004","105.335","0.001","98.663","0.001","106.303","0.001","1099.87","0.07","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 B2 F20 Li2 N2 O2 -","- C42 H38 B2 F20 Li2 N2 O2 -","- C42 H38 B2 F20 Li2 N2 O2 -","1","0.5","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0505","0.0352","","","0.0808","0.0887","","","","","","1.032","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155737","9.4685","0.0002","11.0334","0.0002","21.6455","0.0004","90","","93.492","0.001","90","","2257.1","0.08","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 B2 F20 Li2 N2 O2 -","- C42 H38 B2 F20 Li2 N2 O2 -","- C84 H76 B4 F40 Li4 N4 O4 -","2","0.5","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0767","0.0582","","","0.1413","0.1594","","","","","","1.062","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155738","7.4978","0.0003","10.8784","0.0003","14.5077","0.0005","83.472","0.001","89.713","0.001","73.889","0.001","1129.03","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H46 B2 F20 Li2 N2 -","- C48 H46 B2 F20 Li2 N2 -","- C48 H46 B2 F20 Li2 N2 -","1","0.5","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0423","0.0338","","","0.0824","0.0883","","","","","","1.016","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155739","25.0211","0.0008","13.2663","0.0005","13.5992","0.0004","90","","103.116","0.002","90","","4396.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32.52 Cl N O0.26 -","- C25 H32.524 Cl N O0.262 -","- C200 H260.192 Cl8 N8 O2.096 -","8","2","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","1.54178","CuKα","","0.0669","0.0483","","","0.118","0.127","","","","","","1.075","","","","has coordinates,has disorder","198305","2020-10-21","18:00:00",""
"7155740","26.6576","0.0019","17.0458","0.0014","20.604","0.003","90","","123.014","0.002","90","","7850.8","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 B F10 Li N2 O -","- C38 H50 B F10 Li N2 O -","- C304 H400 B8 F80 Li8 N16 O8 -","8","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.0621","0.0424","","","0.0973","0.1096","","","","","","1.033","","","","has coordinates,has disorder","198305","2020-10-21","18:00:00",""
"7155741","10.1977","0.0003","13.1232","0.0005","13.9306","0.0005","95.042","0.002","90.491","0.002","109.468","0.002","1749.47","0.11","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H34 B Cl F10 Li N O -","- C37 H34 B Cl F10 Li N O -","- C74 H68 B2 Cl2 F20 Li2 N2 O2 -","2","1","","Erker, Gerhard; Wang, Tongdao; Kohrt, Sonja; Daniliuc, Constantin Gabriel; Kehr, Gerald","Borata-Wittig Olefination Reactions of Ketones, Carboxylic Esters and Amides with Bis(pentafluorophenyl)borata-alkene Reagents","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01591G","","","0.71073","MoKα","","0.1108","0.0747","","","0.1301","0.1512","","","","","","1.118","","","","has coordinates","198305","2020-10-21","18:00:00",""
"7155742","10.585","0.002","17.682","0.004","21.378","0.004","90","","90","","90","","4001.2","1.4","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3R)-1'-Benzyl-3-(4-bromophenyl)-3H-spiro[furan-2,3'-indoline]-2',5(4H)-dione","","- C24 H18 Br N O3 -","- C24 H18 Br N O3 -","- C192 H144 Br8 N8 O24 -","8","2","","Ming, Sheng; Zhao, Bo-Liang; Du, Da-Ming","Chiral squaramide-catalysed enantioselective Michael/cyclization cascade reaction of 3-hydroxyoxindoles with α,β-unsaturated N-acylated succinimides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01307H","","","0.71073","MoKα","","0.0504","0.0453","","","0.0928","0.0956","","","","","","1.099","","","","has coordinates","198451","2020-10-21","18:00:00",""
"7155743","9.1323","0.0005","27.5891","0.0014","12.2546","0.0006","90","","102.328","0.0016","90","","3016.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H25 F2 N O2 -","- C40 H25 F2 N O2 -","- C160 H100 F8 N4 O8 -","4","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.1396","0.0592","","","0.121","0.1456","","","","","","1.014","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155744","10.5661","0.0018","13.057","0.002","13.553","0.002","65.881","0.005","81.281","0.005","75.729","0.005","1651.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H25 Cl2 N O2 -","- C40 H25 Cl2 N O2 -","- C80 H50 Cl4 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.0791","0.0527","","","0.1546","0.1663","","","","","","1.055","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155745","10.0836","0.0007","12.5395","0.001","13.2044","0.001","74.853","0.002","68.565","0.002","71.764","0.002","1455.54","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 F N O2 -","- C40 H26 F N O2 -","- C80 H52 F2 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.1015","0.0502","","","0.1159","0.1276","","","","","","1.019","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155746","11.5428","0.0013","13.0504","0.0015","20.6374","0.0018","90","","108.573","0.005","90","","2946.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H29 N O3 -","- C41 H29 N O3 -","- C164 H116 N4 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.1703","0.0578","","","0.1158","0.1389","","","","","","0.942","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155747","12.8383","0.0018","13.0875","0.0018","14.1034","0.0019","71.229","0.004","69.868","0.004","65.226","0.003","1975.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H25 Cl N2 O4 -","- C39 H25 Cl N2 O4 -","- C78 H50 Cl2 N4 O8 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.1642","0.0735","","","0.2187","0.2582","","","","","","1.081","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155748","10.794","0.013","12.84","0.016","13.826","0.017","68.88","0.03","77.77","0.03","89.02","0.03","1743","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H26 Cl5 N O3 -","- C41 H26 Cl5 N O3 -","- C82 H52 Cl10 N2 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.2459","0.1424","","","0.316","0.3586","","","","","","1.031","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155749","22.5392","0.0013","7.9506","0.0005","23.0909","0.0009","90","","120.813","0.004","90","","3553.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 O4 -","- C40 H26 N2 O4 -","- C160 H104 N8 O16 -","4","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.1517","0.0833","","","0.2392","0.2685","","","","","","0.994","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155750","11.302","0.0007","12.3396","0.0007","13.4599","0.0008","64.567","0.002","87.281","0.002","78.153","0.002","1657.36","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H29 N O2 -","- C41 H29 N O2 -","- C82 H58 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao Guo","Selective Construction of Polycyclic Spirooxindoles via Cu(OTf)2/HOTf-catalyzed Domino Reaction of o-Arylalkynylacetophenones and 3-Phenacylideneoxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01292F","","","0.71073","MoKα","","0.1334","0.0693","","","0.1948","0.2239","","","","","","1.065","","","","has coordinates","198452","2020-10-21","18:00:00",""
"7155751","5.6912","0.0004","25.2938","0.0019","11.9374","0.0009","90","","102.064","0.008","90","","1680.5","0.2","292.76","0.1","292.76","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 F3 N3 O3 -","- C17 H14 F3 N3 O3 -","- C68 H56 F12 N12 O12 -","4","1","","Peng, Xiansha; Huang, Danfeng; Wang, Ke-Hu; Wang, Yalin; Wang, Juanjuan; Su, Yingpeng; Hu, Yulai","Synthesis of Trifluoromethylated Pyrazolidines by [3+2] Cycloaddition","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01299C","","","0.71073","MoKα","","0.122","0.0646","","","0.1172","0.1501","","","","","","1.068","","","","has coordinates","198453","2020-10-21","18:00:00",""
"7155752","9.9013","0.0007","9.9393","0.0008","21.0212","0.0016","80.533","0.007","87.495","0.006","89.524","0.006","2038.6","0.3","283","4","283","4","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 F3 N2 -","- C10 H7 F3 N2 -","- C80 H56 F24 N16 -","8","4","","Peng, Xiansha; Huang, Danfeng; Wang, Ke-Hu; Wang, Yalin; Wang, Juanjuan; Su, Yingpeng; Hu, Yulai","Synthesis of Trifluoromethylated Pyrazolidines by [3+2] Cycloaddition","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01299C","","","0.7107","MoKα","","0.1737","0.0977","","","0.2572","0.3188","","","","","","1.046","","","","has coordinates,has disorder","198453","2020-10-21","18:00:00",""
"7155753","8.3615","0.0014","8.679","0.0016","9.7121","0.0016","87.261","0.014","86.85","0.013","74.088","0.013","676.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Br N2 O -","- C15 H11 Br N2 O -","- C30 H22 Br2 N4 O2 -","2","1","","Dabiri, Minoo; Farajinia Lehi, Noushin; Kazemi Movahed, Siyavash; Khavasi, Hamid Reza","Pd-catalyzed regioselective C-H halogenation of quinazolinones and benzoxazinones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01534H","","","0.71073","MoKα","","0.0851","0.0776","","","0.1464","0.1702","","","","","","0.978","","","","has coordinates","198577","2020-10-21","18:00:00",""
"7155754","8.079","0.002","8.088","0.003","12.7","0.004","87.8","0.02","83.42","0.02","71.65","0.02","782.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 N O4 -","- C16 H11 Cl2 N O4 -","- C32 H22 Cl4 N2 O8 -","2","1","","Dabiri, Minoo; Farajinia Lehi, Noushin; Kazemi Movahed, Siyavash; Khavasi, Hamid Reza","Pd-catalyzed regioselective C-H halogenation of quinazolinones and benzoxazinones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01534H","","","0.71073","MoKα","","0.0895","0.0521","","","0.1512","0.1751","","","","","","1.1","","","","has coordinates","198577","2020-10-21","18:00:00",""
"7155755","5.095","0.001","6.1734","0.0013","6.2035","0.0014","90","","95.735","0.009","90","","194.14","0.07","150","","150","","","","","","","","synthesis as described","3","P 1 21/m 1","-P 2yb","11","","","","- C3 Br N -","- C3 Br N -","- C6 Br2 N2 -","2","0.5","","Ligny, Romain; Gauthier, Etienne S.; Yáñez, Manuel; Roisnel, Thierry; Guillemin, Jean-Claude; Trolez, Yann","One-step synthesis of conjugated enynenitriles from bromocyanoacetylene.","Organic & biomolecular chemistry","2017","","","","","10.1039/c6ob02590k","","x-ray","0.71073","MoKα","","0.03","0.0289","","","0.0711","0.0719","","","","","","1.217","","","","has coordinates","198578","2020-10-21","18:00:00",""
"7155756","15.4292","0.0014","15.571","0.0014","17.8509","0.0015","90","","90","","90","","4288.6","0.7","150","","150","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C20 H36 N2 Si -","- C20 H36 N2 Si -","- C160 H288 N16 Si8 -","8","1","","Ligny, Romain; Gauthier, Etienne S.; Yáñez, Manuel; Roisnel, Thierry; Guillemin, Jean-Claude; Trolez, Yann","One-step synthesis of conjugated enynenitriles from bromocyanoacetylene.","Organic & biomolecular chemistry","2017","","","","","10.1039/c6ob02590k","","x-ray","0.71073","MoKα","","0.1021","0.0661","","","0.1644","0.1955","","","","","","1.027","","","","has coordinates","198578","2020-10-21","18:00:00",""
"7155757","8.2173","0.0005","10.0044","0.0006","11.8002","0.0007","103.879","0.002","107.903","0.002","97.302","0.001","874.73","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C17.5 H15 Cl N2 O4 S -","- C17.5 H15 Cl N2 O4 S -","- C35 H30 Cl2 N4 O8 S2 -","2","2","","Wang, Lei; Rahman, Abdul; Lin, Xufeng","Enantioselective synthesis of cyclic quaternary α-amino acid derivatives by chiral phosphoric acid catalysis.","Organic & biomolecular chemistry","2017","","","","","10.1039/c7ob01149k","","","0.71073","MoKα","","0.0835","0.0444","","","0.0881","0.1251","","","","","","1.003","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155758","17.132","0.003","13.827","0.003","5.5861","0.0011","90","","90","","90","","1323.3","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Zubkov, Fedor Ivanovich; Kvyatkovskaya, Elizaveta Alexandrovna; Nikitina, Eugeniya V.; Amoyaw, Prince; Kouznetsov, Vladimir; Lazarenko , Vladimir; Khrustalev, Victor N.","Comment on ""An unexpected formation of the novel 7-oxa-2azabicyclo[2.2.1]hept-5-ene skeleton during the reaction of furfurylamine with maleimides and their bioprospection using a zebrafish embryo model"" by C. E. Puerto Galvis and V. V. Kouznetsov, Org. Biomol. Chem., 2013, 11, 407","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01207A","","","0.9699","synchrotron","","0.127","0.089","","","0.207","0.23","","","","","","1.038","","","","has coordinates,has disorder","198621","2020-10-21","18:00:00",""
"7155759","17.231","0.003","14.729","0.003","5.6114","0.0011","90","","90","","90","","1424.1","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","","Zubkov, Fedor Ivanovich; Kvyatkovskaya, Elizaveta Alexandrovna; Nikitina, Eugeniya V.; Amoyaw, Prince; Kouznetsov, Vladimir; Lazarenko , Vladimir; Khrustalev, Victor N.","Comment on ""An unexpected formation of the novel 7-oxa-2azabicyclo[2.2.1]hept-5-ene skeleton during the reaction of furfurylamine with maleimides and their bioprospection using a zebrafish embryo model"" by C. E. Puerto Galvis and V. V. Kouznetsov, Org. Biomol. Chem., 2013, 11, 407","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01207A","","","0.9699","synchrotron","","0.1411","0.0792","","","0.1694","0.1934","","","","","","1.008","","","","has coordinates","198621","2020-10-21","18:00:00",""
"7155760","17.6741","0.0018","16.8387","0.0017","18.4813","0.0019","90","","90","","90","","5500.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H39 F6 Ir O9 P4 -","- C17 H39 F6 Ir O9 P4 -","- C136 H312 F48 Ir8 O72 P32 -","8","1","","Moskovets, Alexey P.; Usanov, Dmitry; Afanasyev, Oleg I.; Fastovskiy, Vasilii A.; Molotkov, Alexander P.; Muratov, Karim M.; Denisov, Gleb L.; Zlotskii , Semen S.; Smol’yakov, Alexander F.; Loginov, Dmitry A.; Chusov, Denis","Reductive Amination Catalyzed by Iridium Complexes Using Carbon Monoxide as a Reducing Agent","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01005B","","","0.71073","MoKα","","0.0274","0.0227","","","0.0518","0.0545","","","","","","1.014","","","","has coordinates","198665","2020-10-21","18:00:00",""
"7155761","7.6783","0.0013","11.4349","0.0019","13.505","0.002","96.491","0.004","91.287","0.004","100.696","0.004","1156.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H19 Cl2 N O2 -","- C29 H19 Cl2 N O2 -","- C58 H38 Cl4 N2 O4 -","2","1","","Zhao, Yu-Lei; Yuan, Yang; Xu, Murong; Zheng, Zhong; Zhang, Runhua; LI, Yanzhong","Selective synthesis of pyrrolo[1,2-a]azepines or 4,6-dicarbonyl indoles via tandem reactions of alkynones with pyrrole derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01516J","","","0.71073","MoKα","","0.0984","0.068","","","0.1458","0.1607","","","","","","1.085","","","","has coordinates","198716","2020-10-21","18:00:00",""
"7155762","26.413","0.004","8.3862","0.0013","12.2342","0.0018","90","","115.572","0.003","90","","2444.5","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H19 Cl2 N O2 -","- C29 H19 Cl2 N O2 -","- C116 H76 Cl8 N4 O8 -","4","1","","Zhao, Yu-Lei; Yuan, Yang; Xu, Murong; Zheng, Zhong; Zhang, Runhua; LI, Yanzhong","Selective synthesis of pyrrolo[1,2-a]azepines or 4,6-dicarbonyl indoles via tandem reactions of alkynones with pyrrole derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01516J","","","0.71073","MoKα","","0.0832","0.0555","","","0.1364","0.1542","","","","","","0.996","","","","has coordinates","198716","2020-10-21","18:00:00",""
"7155763","10.396","0.003","12.966","0.004","16.944","0.005","81.864","0.006","89.495","0.005","89.905","0.005","2260.9","1.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O3 -","- C29 H22 N2 O3 -","- C116 H88 N8 O12 -","4","2","","Zhao, Yu-Lei; Yuan, Yang; Xu, Murong; Zheng, Zhong; Zhang, Runhua; LI, Yanzhong","Selective synthesis of pyrrolo[1,2-a]azepines or 4,6-dicarbonyl indoles via tandem reactions of alkynones with pyrrole derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01516J","","","0.71073","MoKα","","0.1584","0.0724","","","0.1784","0.2253","","","","","","1.002","","","","has coordinates","198716","2020-10-21","18:00:00",""
"7155764","16.2793","0.0012","8.0744","0.0004","12.2026","0.0006","90","","110.362","0.007","90","","1503.75","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H5 Br F8 N2 O -","- C13 H5 Br F8 N2 O -","- C52 H20 Br4 F32 N8 O4 -","4","1","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.1062","0.0626","","","0.1388","0.1628","","","","","","0.986","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155765","10.601","0.002","12.112","0.002","12.616","0.002","61.588","0.017","74.909","0.016","90.027","0.015","1360.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H6 F8 N2 O -","- C13 H6 F8 N2 O -","- C52 H24 F32 N8 O4 -","4","2","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.1945","0.1166","","","0.2876","0.3496","","","","","","0.954","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155766","5.6579","0.0005","29.09","0.002","6.9744","0.0007","90","","110.142","0.01","90","","1077.7","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 F7 N2 O2 -","- C8 H5 F7 N2 O2 -","- C32 H20 F28 N8 O8 -","4","1","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.1003","0.0594","","","0.1311","0.1533","","","","","","0.946","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155767","12.6081","0.0012","16.88","0.003","19.074","0.0016","68.673","0.013","90.021","0.008","89.803","0.011","3781.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F7 N2 O -","- C11 H9 F7 N2 O -","- C132 H108 F84 N24 O12 -","12","6","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.205","0.1201","","","0.276","0.3391","","","","","","1.003","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155768","14.9885","0.0002","14.9885","0.0002","20.7329","0.0007","90","","90","","90","","4657.75","0.18","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C9 H8 F7 N3 O -","- C9 H8 F7 N3 O -","- C144 H128 F112 N48 O16 -","16","4","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.1194","0.0739","","","0.1619","0.188","","","","","","0.986","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155769","9.3738","0.0014","12.4038","0.0013","14.0939","0.0014","104.197","0.009","90.841","0.011","101.985","0.011","1550.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 F7 N2 O -","- C14 H9 F7 N2 O -","- C56 H36 F28 N8 O4 -","4","2","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.2191","0.0701","","","0.1765","0.241","","","","","","0.819","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155770","11.7601","0.0006","10.6895","0.0004","11.2243","0.0007","90","","110.252","0.006","90","","1323.77","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F7 N2 O -","- C11 H11 F7 N2 O -","- C44 H44 F28 N8 O4 -","4","1","","Mykhailiuk, Pavel K.","Heptafluoroisopropyl diazomethane (i-C3F7CHN2): in situ generation and synthesis of pyrazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01579H","","","0.71073","MoKα","","0.0848","0.048","","","0.1151","0.1346","","","","","","0.942","","","","has coordinates","198745","2020-10-21","18:00:00",""
"7155771","27.56","0.004","30.44","0.004","9.2142","0.0014","90","","90","","90","","7730","1.9","293","2","293","2","","","","","","","see text","5","F d d 2","F 2 -2d","43","","","","- C20 H19 N2 O5 P -","- C20 H19 N2 O5 P -","- C320 H304 N32 O80 P16 -","16","1","","Gupta, Ashis Kumar; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Rapid and selective synthesis of spiropyrazolines and pyrazolylphthalides employing Seyferth-Gilbert reagent","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01417A","","","0.71075","MoKα","","0.1161","0.1147","","","0.2605","0.2633","","","","","","1.173","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155772","8.4669","0.0013","13.109","0.002","19.934","0.003","90","","107.975","0.005","90","","2104.5","0.6","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N2 O7 P -","- C21 H21 N2 O7 P -","- C84 H84 N8 O28 P4 -","4","1","","Gupta, Ashis Kumar; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Rapid and selective synthesis of spiropyrazolines and pyrazolylphthalides employing Seyferth-Gilbert reagent","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01417A","","","0.71075","MoKα","","0.0517","0.0444","","","0.1253","0.1293","","","","","","1.002","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155773","3.828","0.0002","13.3111","0.0011","25.038","0.002","90","","90.919","0.001","90","","1275.64","0.16","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Cl N O2 S -","- C16 H8 Cl N O2 S -","- C64 H32 Cl4 N4 O8 S4 -","4","1","","Jiang, Bo; Fan, Wei; Chen, KuongYuen; Chen, Qi-Peng; Li, Guigen","Facile synthesis of benzo[b]thiophenes via metal-free radical-triggered intramolecular C-S bond formation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01515A","","","0.71073","MoKα","","0.1888","0.1126","","","0.2226","0.2492","","","","","","1.106","","","","has coordinates","198780","2020-10-21","18:00:00",""
"7155774","9.134","0.0003","10.0111","0.0004","11.6697","0.0004","66.936","0.002","86.111","0.002","76.562","0.002","954.6","0.06","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Br N2 O2 -","- C22 H21 Br N2 O2 -","- C44 H42 Br2 N4 O4 -","2","1","","Li, Jianjun; Fu, Yiwei; Qin, Cong; Yu, Yang; Li, Hao; Wang, Wei","Asymmetric Synthesis of Isoquinolinonaphthyridines Catalyzed by a Chiral Brønsted Acid","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01527E","","","1.54178","CuKα","","0.0638","0.0451","","","0.1112","0.1247","","","","","","1.006","","","","has coordinates","198819","2020-10-21","18:00:00",""
"7155775","6.9865","0.0017","8.511","0.002","11.9757","0.0018","88.053","0.017","77.077","0.018","84.5","0.02","690.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H13 O4 -","- C17 H13 O4 -","- C34 H26 O8 -","2","1","","Han, Bo; Peng, Cheng; Wang, Biao; Huang, Wei; Zhou, Jin; Tang, Xue; Chen, Yang","Drug design based on pentaerythritol tetranitrate reductase: synthesis and antibacterial activity of Pogostone derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01429E","","","1.54184","CuKα","","0.1344","0.0755","","","0.2063","0.2777","","","","","","0.962","","","","has coordinates","198820","2020-10-21","18:00:00",""
"7155776","7.6999","0.0003","11.1232","0.0005","18.8431","0.0009","99.119","0.002","96.526","0.002","94.243","0.002","1576.17","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 F N O4.5 -","- C17 H23 F N O4.5 -","- C68 H92 F4 N4 O18 -","4","2","","Liu, Yi; Yeung, Ying-Yeung","Ring Strain-Dictated Divergent Fluorinating Prins Cyclization or Semipinacol Rearrangement","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01567D","","","0.71073","MoKα","","0.1141","0.0765","","","0.2009","0.225","","","","","","1.029","","","","has coordinates","198821","2020-10-21","18:00:00",""
"7155777","13.727","0.0003","13.727","0.0003","10.9453","0.0003","90","","90","","90","","2062.43","0.09","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C24 H27 N3 O2 -","- C24 H27 N3 O2 -","- C96 H108 N12 O8 -","4","1","","Wuensch, Bernhard; Wittig, Christian; Schepmann, Dirk; Soeberdt, Michael; Daniliuc, Constantin Gabriel","Stereoselective synthesis of conformationally restricted KOR agonists based on the 2,5-diazabicyclo[2.2.2]octane scaffold","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01530E","","","1.54178","CuKα","","0.0267","0.026","","","0.0636","0.0643","","","","","","1.103","","","","has coordinates","198822","2020-10-21","18:00:00",""
"7155778","24.6806","0.0006","6.2455","0.0002","16.1174","0.0004","90","","93.541","0.001","90","","2479.64","0.12","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H27 Cl4 N3 O2 -","- C26 H27 Cl4 N3 O2 -","- C104 H108 Cl16 N12 O8 -","4","1","","Wuensch, Bernhard; Wittig, Christian; Schepmann, Dirk; Soeberdt, Michael; Daniliuc, Constantin Gabriel","Stereoselective synthesis of conformationally restricted KOR agonists based on the 2,5-diazabicyclo[2.2.2]octane scaffold","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01530E","","","1.54178","CuKα","","0.0793","0.0551","","","0.1299","0.1425","","","","","","1.055","","","","has coordinates","198822","2020-10-21","18:00:00",""
"7155779","8.269","0.005","16.049","0.005","18.529","0.005","90","0.005","90","0.005","90","0.005","2459","1.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl N O3 Se -","- C28 H26 Cl N O3 Se -","- C112 H104 Cl4 N4 O12 Se4 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","“On water” catalytic enantioselective sulfenylation of deconjugated butyrolactams","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01714F","","","0.71073","MoKα","","0.0328","0.0263","","","0.0649","0.0751","","","","","","1.124","","","","has coordinates","198823","2020-10-21","18:00:00",""
"7155780","8.373","0.004","11.816","0.005","25.567","0.012","90","","90","","90","","2529","2","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl N O3 S -","- C28 H26 Cl N O3 S -","- C112 H104 Cl4 N4 O12 S4 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","“On water” catalytic enantioselective sulfenylation of deconjugated butyrolactams","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01714F","","","0.71073","MoKα","","0.0988","0.0475","","","0.0803","0.0939","","","","","","1.023","","","","has coordinates","198823","2020-10-21","18:00:00",""
"7155781","13.4035","0.0011","28.882","0.002","5.1236","0.0004","90","","90","","90","","1983.4","0.3","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2014/7","","- C22 H22 Cl N O4 -","- C22 H22 Cl N O4 -","- C88 H88 Cl4 N4 O16 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","“On water” catalytic enantioselective sulfenylation of deconjugated butyrolactams","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01714F","","","0.71073","MoKα","","0.04","0.0311","","","0.0752","0.0793","","","","","","0.925","","","","has coordinates","198823","2020-10-21","18:00:00",""
"7155782","19.703","0.002","8.2643","0.0005","23.1696","0.0019","90","","90","","90","","3772.7","0.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H24 O -","- C25 H24 O -","- C200 H192 O8 -","8","1","","Saunthwal, Rakesh K.; Danodia, abhinandan K.; Saini, Kapil Mohan; Verma, Akhilesh K.","Ag(I)-Catalyzed Cycloisomerization Reactions: Synthesis of Substituted Phenanthrenes and Naphthothiophenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01646H","","","0.71073","MoKα","","0.1223","0.0969","","","0.2312","0.2465","","","","","","1.096","","","","has coordinates","199035","2020-10-21","18:00:00",""
"7155783","10.1389","0.0013","10.283","0.0013","19.617","0.003","79.125","0.006","89.681","0.006","62.353","0.004","1771.3","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1","P 1","1","","2e-BPh4","","- C42 H46 B N O2 -","- C42 H46 B N O2 -","- C84 H92 B2 N2 O4 -","2","2","","Tayama, Eiji; Watanabe, Kazutoshi; Sotome, Sho","Structural and mechanistic studies of the base-induced Sommelet‒Hauser rearrangement of N-α-branched benzylic azetidine-2-carboxylic acid-derived ammonium salts","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01391D","","x-ray","0.71073","MoKα","","0.0835","0.0552","","","0.1118","0.1265","","","","","","1.063","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7155784","13.4025","0.001","15.8388","0.0012","16.5989","0.0013","90","","90","","90","","3523.6","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","2a-BPh4","","- C41 H46 B N O2 -","- C41 H46 B N O2 -","- C164 H184 B4 N4 O8 -","4","1","","Tayama, Eiji; Watanabe, Kazutoshi; Sotome, Sho","Structural and mechanistic studies of the base-induced Sommelet‒Hauser rearrangement of N-α-branched benzylic azetidine-2-carboxylic acid-derived ammonium salts","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01391D","","x-ray","0.71073","MoKα","","0.0805","0.0442","","","0.0939","0.1085","","","","","","1.014","","","","has coordinates","199036","2020-10-21","18:00:00",""
"7155785","13.0145","0.0003","7.79931","0.00017","10.8094","0.0003","90","","90","","90","","1097.2","0.05","150","2","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","Dimethyl (r,s)-1-acetylpyrrolidine-2,5-dicarboxylate","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","Kubyshkin, Vladimir; Budisa, Nediljko","Amide rotation trajectories probed by symmetry","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01421J","","x-ray","1.54184","CuKα","","0.0269","0.0257","","","0.0626","0.0632","","","","","","1.019","","","","has coordinates","199037","2020-10-21","18:00:00",""
"7155786","7.8936","0.0002","13.18","0.0003","11.2852","0.0003","90","","104.484","0.003","90","","1136.77","0.05","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl (r,r)-1-acetylpyrrolidine-2,5-dicarboxylate","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","Kubyshkin, Vladimir; Budisa, Nediljko","Amide rotation trajectories probed by symmetry","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01421J","","x-ray","1.54184","CuKα","","0.0365","0.0346","","","0.0873","0.0887","","","","","","1.04","","","","has coordinates","199037","2020-10-21","18:00:00",""
"7155787","7.5463","0.001","21.489","0.003","12.4234","0.0017","90","","105.179","0.002","90","","1944.3","0.5","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O5 -","- C25 H18 O5 -","- C100 H72 O20 -","4","1","","Tangella, Yellaiah; Kesari, Manasa Lakshmi; V, Lakshma Nayak; Manda, Sathish; Balasubramanian, Sridhar; Alarifi, Abd-Allah; Nagesh, Narayana; Kamal, Ahmed","An efficient one-pot approach for the regio and diastereoselective synthesis of trans-dihydrofuran derivatives: Cytotoxicity and DNA-binding studies","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01456B","","","0.71073","MoKα","","0.0549","0.047","","","0.1267","0.134","","","","","","1.033","","","","has coordinates","199339","2020-10-21","18:00:00",""
"7155788","7.2467","0.0005","10.8572","0.0007","13.9575","0.0009","106.546","0.002","90.819","0.002","107.578","0.002","997.47","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C50 H44 N4 O4 -","2","1","","Kayet, Anirban; Singh, Vinod","A one-pot synthesis of 2,2’-disubstituted diindolylmethanes (DIMs) via a sequential Sonogashira coupling and cycloisomerization/C3-functionalization of 2-iodolanilines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01701D","","","0.71073","MoKα","","0.0613","0.0433","","","0.0928","0.1005","","","","","","1.078","","","","has coordinates","199382","2020-10-21","18:00:00",""
"7155789","4.9045","0.0004","10.4027","0.001","12.0076","0.001","83.328","0.004","80.762","0.006","89.239","0.006","600.58","0.09","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Lv, Honggui; Shi, Jingjing; Huang, Junjun; Zhang, Chao; yi, wei","Rhodium(III)-catalyzed and MeOH-involved regioselective mono-alkenylation of N-arylureas with acrylates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01627A","","","0.71073","MoKα","","0.106","0.0812","","","0.2603","0.2765","","","","","","1.072","","","","has coordinates","199430","2020-10-21","18:00:00",""
"7155790","8.3587","0.0003","16.6395","0.0005","17.2793","0.0006","97.127","0.002","98.68","0.002","103.468","0.002","2278.52","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 B2 N2 S2 Si2 -","- C48 H58 B2 N2 S2 Si2 -","- C96 H116 B4 N4 S4 Si4 -","2","1","","Zhang, Wanzheng; Fu, Yubin; Qiang, Peirong; Hunger, Jens; Bi, Shuai; Zhang, Wen-Bei; Zhang, Fan","Syn-BN-Heteroacence Cored Conjugated Oligomers with Finely Tuned Blue-Violet Luminescent Properties","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01679D","","x-ray","0.71073","MoKα","","0.0628","0.0449","","","0.1107","0.1202","","","","","","1.032","","","","has coordinates,has disorder","199493","2020-10-21","18:00:00",""
"7155791","10.523","0.003","11.578","0.003","12.402","0.006","97.23","0.011","102.026","0.015","100.544","0.003","1431.6","0.9","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H23 B Cl2 N2 S -","- C36 H23 B Cl2 N2 S -","- C72 H46 B2 Cl4 N4 S2 -","2","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0369","0.0351","","","0.0915","0.0929","","","","","","1.051","","","","has coordinates","199510","2020-10-21","18:00:00",""
"7155792","10.337","0.002","25.595","0.005","14.097","0.003","90","","97.574","0.005","90","","3697.2","1.3","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C45 H51 B N2 S -","- C45 H51 B N2 S -","- C180 H204 B4 N8 S4 -","4","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0689","0.0568","","","0.1486","0.1593","","","","","","1.048","","","","has coordinates","199510","2020-10-21","18:00:00",""
"7155793","11.733","0.003","9.921","0.002","21.775","0.005","90","","94.847","0.009","90","","2525.6","1","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H27 B N4 S -","- C29 H27 B N4 S -","- C116 H108 B4 N16 S4 -","4","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0386","0.0348","","","0.0973","0.0997","","","","","","1.041","","","","has coordinates","199510","2020-10-21","18:00:00",""
"7155794","12.213","0.004","13.215","0.007","13.236","0.009","119.751","0.018","96.382","0.014","91.1942","0.0013","1836","1.7","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H39 B Cl2 N2 S -","- C44 H39 B Cl2 N2 S -","- C88 H78 B2 Cl4 N4 S2 -","2","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0518","0.0451","","","0.1229","0.1261","","","","","","1.056","","","","has coordinates","199510","2020-10-21","18:00:00",""
"7155795","11.908","0.004","13.971","0.006","17.856","0.007","100.643","0.012","92.2079","0.001","92.499","0.016","2913","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H63 B Cl6 N2 S -","- C65 H63 B Cl6 N2 S -","- C130 H126 B2 Cl12 N4 S2 -","2","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0995","0.0619","","","0.1573","0.1859","","","","","","1.009","","","","has coordinates,has disorder","199510","2020-10-21","18:00:00",""
"7155796","11.071","0.003","12.31","0.004","15.729","0.005","99.083","0.014","96.913","0.009","99.963","0.009","2060.6","1.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H41 B N2 O S -","- C54 H41 B N2 O S -","- C108 H82 B2 N4 O2 S2 -","2","1","","Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi","Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01473B","","","1.54187","CuKα","","0.0708","0.0649","","","0.1748","0.1792","","","","","","1.074","","","","has coordinates,has disorder","199510","2020-10-21","18:00:00",""
"7155797","9.83","0.0005","10.1369","0.0004","12.4497","0.0005","90","","95.021","0.002","90","","1235.8","0.09","150","","150.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Cheng, Yuyu; Zhang, Pengfei; Jia, Yanwen; Fang, Zhiqiang; Li, Pengfei","Organocatalytic condensation‒ring opening‒annulation cascade reactions between N-Bocindolin-2-ones/benzofuran-2(3H)-ones and salicylaldehydes for synthesis of 3-arylcoumarins","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01730H","","x-ray","0.71073","MoKα","","0.0516","0.0409","","","0.0997","0.106","","","","","","1.059","","","","has coordinates","199511","2020-10-21","18:00:00",""
"7155798","5.8423","0.0006","10.7141","0.001","17.775","0.0018","90","","90","","90","","1112.63","0.19","150.35","","150.35","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C60 H40 O12 -","4","1","","Cheng, Yuyu; Zhang, Pengfei; Jia, Yanwen; Fang, Zhiqiang; Li, Pengfei","Organocatalytic condensation‒ring opening‒annulation cascade reactions between N-Bocindolin-2-ones/benzofuran-2(3H)-ones and salicylaldehydes for synthesis of 3-arylcoumarins","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01730H","","x-ray","0.71073","MoKα","","0.0483","0.0412","","","0.099","0.1029","","","","","","1.05","","","","has coordinates","199511","2020-10-21","18:00:00",""
"7155799","11.3554","0.0005","9.9923","0.0004","15.6896","0.0008","90","","105.418","0.002","90","","1716.18","0.14","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Cheng, Yuyu; Zhang, Pengfei; Jia, Yanwen; Fang, Zhiqiang; Li, Pengfei","Organocatalytic condensation‒ring opening‒annulation cascade reactions between N-Bocindolin-2-ones/benzofuran-2(3H)-ones and salicylaldehydes for synthesis of 3-arylcoumarins","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01730H","","","0.71073","MoKα","","0.058","0.0436","","","0.1054","0.1134","","","","","","1.015","","","","has coordinates","199511","2020-10-21","18:00:00",""
"7155800","9.676","0.005","12.483","0.006","11.857","0.006","90","","98.414","0.016","90","","1416.7","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl N4 O S -","- C14 H11 Cl N4 O S -","- C56 H44 Cl4 N16 O4 S4 -","4","1","","Das, Asish R.; Mukherjee, Prasun","One-flask synthesis of pyrazolone thioethers involving catalyzed and uncatalyzed thioetherification pathways of pyrazolones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01754E","","","0.71073","MoKα","","0.0818","0.0442","","","0.1182","0.1393","","","","","","0.97","","","","has coordinates","199660","2020-10-21","18:00:00",""
"7155801","42.263","0.006","5.9743","0.0008","11.7282","0.0016","90","","91.856","0.005","90","","2959.7","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cl N2 O S -","- C16 H13 Cl N2 O S -","- C128 H104 Cl8 N16 O8 S8 -","8","1","","Das, Asish R.; Mukherjee, Prasun","One-flask synthesis of pyrazolone thioethers involving catalyzed and uncatalyzed thioetherification pathways of pyrazolones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01754E","","","0.71073","MoKα","","0.0722","0.0472","","","0.1303","0.1479","","","","","","0.997","","","","has coordinates","199660","2020-10-21","18:00:00",""
"7155802","8.764","0.0008","10.011","0.0008","11.2134","0.001","99.004","0.004","91.663","0.005","98.87","0.004","958.65","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","triphenylsulfonium trifluoromethanesulfonate","","- C19 H15 F3 O3 S2 -","- C19 H15 F3 O3 S2 -","- C38 H30 F6 O6 S4 -","2","1","","Zhang, Lei; Li, Xiaojin; Sun, Yan; Zhao, Weizhao; Luo, Fan; Huang, Xin; Lin, Lihui; Yang, Ying; Peng, Bo","Mild Synthesis of Triarylsulfonium Salts with Arynes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01596H","","","0.71073","MoKα","","0.1572","0.1377","","","0.4083","0.4205","","","","","","3.083","","","","has coordinates","199661","2020-10-21","18:00:00",""
"7155803","8.9672","0.0003","22.0738","0.0006","11.2978","0.0003","90","","99.418","0.002","90","","2206.15","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(4-methoxyphenyl)(phenyl)sulfonium trifluoromethanesulfonate","","- C21 H19 F3 O5 S2 -","- C21 H19 F3 O5 S2 -","- C84 H76 F12 O20 S8 -","4","1","","Zhang, Lei; Li, Xiaojin; Sun, Yan; Zhao, Weizhao; Luo, Fan; Huang, Xin; Lin, Lihui; Yang, Ying; Peng, Bo","Mild Synthesis of Triarylsulfonium Salts with Arynes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01596H","","","0.71073","MoKα","","0.1481","0.1026","","","0.3042","0.3336","","","","","","2.152","","","","has coordinates","199661","2020-10-21","18:00:00",""
"7155804","17.208","0.0008","5.9717","0.0002","9.2902","0.0004","90","","90","","90","","954.67","0.07","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","glyzide diazaborine","","- C9 H10 B N3 O2 -","- C9 H10 B N3 O2 -","- C36 H40 B4 N12 O8 -","4","1","","Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan","Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01708A","","","1.54178","CuKα","","0.0842","0.0747","","","0.1696","0.1781","","","","","","1.073","","","","has coordinates","199662","2020-10-21","18:00:00",""
"7155805","8.5138","0.0009","5.9254","0.0006","10.259","0.0011","90","","105.511","0.0011","90","","498.69","0.09","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","glyzide acetyl diazaborine","","- C10 H12 B N3 O2 -","- C10 H12 B N3 O2 -","- C20 H24 B2 N6 O4 -","2","1","","Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan","Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01708A","","","0.71073","MoKα","","0.032","0.0296","","","0.0697","0.0723","","","","","","1.033","","","","has coordinates,has disorder","199662","2020-10-21","18:00:00",""
"7155806","7.6716","0.0001","11.0843","0.0001","12.4325","0.0002","103.941","0.001","97.63","","109.88","","937.83","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","propazide diazaborine","","- C20 H20 B2 N4 O3 -","- C20 H20 B2 N4 O3 -","- C40 H40 B4 N8 O6 -","2","1","","Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan","Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01708A","","","1.54178","CuKα","","0.039","0.0379","","","0.1018","0.1028","","","","","","1.039","","","","has coordinates","199662","2020-10-21","18:00:00",""
"7155807","7.3575","0.0001","8.0557","0.0001","15.1438","0.0002","95.913","0.001","94.559","0.001","110.014","0.001","832.53","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","acetyl diazaborine","","- C18 H16 B2 N4 O3 -","- C18 H16 B2 N4 O3 -","- C36 H32 B4 N8 O6 -","2","1","","Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan","Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01708A","","","1.54178","CuKα","","0.0357","0.0347","","","0.0923","0.0933","","","","","","1.03","","","","has coordinates","199662","2020-10-21","18:00:00",""
"7155808","11.27","0.002","7.571","0.0015","13.366","0.003","90","","109.99","0.03","90","","1071.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H19 F I N O2 S -","- C22 H19 F I N O2 S -","- C44 H38 F2 I2 N2 O4 S2 -","2","1","","Xi, Yang; Zhu, Guohao; Tang, Luning; Ma, shihan; Zhang, Dongming; Zhang, Rong; He, Guangke; Zhu, Hongjun","Highly regio- and stereoselective trans-iodofluorination of ynamides enabling the synthesis of (E)-α-fluoro-β-iodoenamides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01470H","","","0.71073","MoKα","","0.069","0.0521","","","0.1334","0.1454","","","","","","1.003","","","","has coordinates","199692","2020-10-21","18:00:00",""
"7155809","7.418","0.0001","7.5529","0.0001","10.9647","0.0002","80.836","0.001","86.503","0.001","84.074","0.001","602.621","0.016","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C32 H22 N2 O4 -","2","1","","Nallagonda, Rajender; Reddy, Reddy Rajasekhar; Ghorai, Prasanta","Nitrile-Assisted Oxidation over Oxidative-Annulation: Pd-Catalyzed α,β-Dehydrogenation of α-Cinnamyl β-Keto Nitriles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00912G","","","0.71073","MoKα","","0.0488","0.043","","","0.1418","0.1481","","","","","","1.147","","","","has coordinates","199693","2020-10-21","18:00:00",""
"7155810","10.3657","0.0002","12.7989","0.0002","18.2787","0.0004","81.712","0.001","75.211","0.001","67.712","0.001","2166.48","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 Cl3 N O2 -","- C7 H10 Cl3 N O2 -","- C56 H80 Cl24 N8 O16 -","8","4","","Skvorcova, M.; Jirgensons, A.","Intramolecular cyclopropylmethylation via non-classical carbocations","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01721A","","","0.71073","MoKα","","0.1819","0.106","","","0.2767","0.3268","","","","","","1.033","","","","has coordinates","199694","2020-10-21","18:00:00",""
"7155811","9.816","0.003","10.298","0.003","11.204","0.003","110.604","0.003","104.269","0.004","103.444","0.005","961.7","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N O4 S -","- C22 H18 F N O4 S -","- C44 H36 F2 N2 O8 S2 -","2","1","","Huang, You; Jin, Hongxing; Zhang, Qinglong; Li, Erqing; Jia, Penghao; Li, Ning","Phosphine-Catalyzed Intramolecular Rauhut-Currier Reaction: Enantioselective Synthesis of Hydro-2H-Indole Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01820G","","","0.71073","MoKα","","0.0333","0.0305","","","0.0874","0.0888","","","","","","1.068","","","","has coordinates","199695","2020-10-21","18:00:00",""
"7155812","8.2619","0.0007","12.0578","0.0012","12.2736","0.001","86.934","0.005","75.93","0.005","83.499","0.006","1177.96","0.18","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H28.5 Br N O4 S -","- C26.5 H18 Br N O4 S -","- C53 H36 Br2 N2 O8 S2 -","2","1","","Huang, You; Jin, Hongxing; Zhang, Qinglong; Li, Erqing; Jia, Penghao; Li, Ning","Phosphine-Catalyzed Intramolecular Rauhut-Currier Reaction: Enantioselective Synthesis of Hydro-2H-Indole Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01820G","","","0.71073","MoKα","","0.0435","0.0365","","","0.1056","0.1083","","","","","","1.068","","","","has coordinates,has disorder","199695","2020-10-21","18:00:00",""
"7155813","5.8155","0.0002","11.5974","0.0003","31.3321","0.001","90","","90","","90","","2113.18","0.11","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[2-(4-Chlorophenyl)-2-oxoethyl]- 7,7-dimethyl-4-phenyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione","","- C25 H23 Cl O4 -","- C25 H23 Cl O4 -","- C100 H92 Cl4 O16 -","4","1","","Kowalczyk, Dorota; Albrecht, Lukasz","Organocatalytic cis-Selective Approach to Bicyclic δ-Lactones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01570D","","x-ray","1.54184","CuKα","","0.0686","0.0615","","","0.1553","0.1593","","","","","","1.097","","","","has coordinates","199729","2020-10-21","18:00:00",""
"7155814","8.7744","0.0004","12.7387","0.0005","15.8017","0.0007","89.557","0.002","85.34","0.002","71.223","0.002","1666.38","0.13","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 B2 Br2 F4 N4 -","- C30 H32 B2 Br2 F4 N4 -","- C60 H64 B4 Br4 F8 N8 -","2","1","","Savoldelli, Andrea; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graca H","BODIPY dyads from a,c-biladiene salts","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01797A","","","0.71073","MoKα","","0.1039","0.0743","","","0.2009","0.2157","","","","","","1.067","","","","has coordinates","199730","2020-10-21","18:00:00",""
"7155815","11.6931","0.0006","12.6204","0.0006","16.4696","0.0008","90","","104.241","0.003","90","","2355.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O5 S2 -","- C23 H27 N O5 S2 -","- C92 H108 N4 O20 S8 -","4","1","","Wan, Yimei; Zhang, Jian; Chen, Yongtao; Kong, Lichun; Luo, Fang; Zhu, Gangguo","Palladium-catalyzed tandem cyclization/sulfonylation of homoallenyl amides with sodium sulfinates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01922J","","","0.71073","MoKα","","","0.0482","","","0.1053","0.1209","","","","","","1.02","","","","has coordinates","199731","2020-10-21","18:00:00",""
"7155816","9.933","0.002","29.454","0.006","11.47","0.002","90","","112.4","0.03","90","","3102.5","1.2","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","2","","Gholap, Aniket V. A.; Maity, Soham; Schulzke, Carola; Maiti, Debabrata; Kapdi, Anant R.","Synthesis of Cu-catalysed quinazolinones using a Csp3‒H functionalisation/cyclisation strategy","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01723E","","","0.71073","MoKα","","0.1464","0.0448","","","0.0723","0.096","","","","","","0.794","","","","has coordinates","199761","2020-10-21","18:00:00",""
"7155817","17.102","0.007","8.688","0.003","18.461","0.008","90","","98.011","0.007","90","","2716.2","1.9","100","2","99.98","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 N2 O8 S2 -","- C31 H26 N2 O8 S2 -","- C124 H104 N8 O32 S8 -","4","0.5","","Gunnlaugsson, Thorfinnur; Shanmugaraju, Sankarasekaran; McAdams, Deirdre; Pancotti, Francesca; Hawes, Chris Samuel; Veale, Emma; Kitchen, Jonathan A.","One-pot facile synthesis of 4-amino-1,8-naphthalimide derived Tröger’s bases via a nucleophilic displacement approach","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01835E","","x-ray","1.54178","CuKα","","0.066","0.0543","","","0.145","0.1584","","","","","","1.031","","","","has coordinates,has disorder","199762","2020-10-21","18:00:00",""
"7155818","10.406","0.002","11.383","0.003","13.621","0.003","83.448","0.009","87.082","0.001","78.674","0.01","1571","0.6","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","N-Phenyl-1,8-naphthalimide Derived Trogers base","","- C40 H26 Cl2 N4 O4 -","- C40 H26 Cl2 N4 O4 -","- C80 H52 Cl4 N8 O8 -","2","1","","Gunnlaugsson, Thorfinnur; Shanmugaraju, Sankarasekaran; McAdams, Deirdre; Pancotti, Francesca; Hawes, Chris Samuel; Veale, Emma; Kitchen, Jonathan A.","One-pot facile synthesis of 4-amino-1,8-naphthalimide derived Tröger’s bases via a nucleophilic displacement approach","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01835E","","x-ray","0.71075","MoKα","","0.0644","0.0577","","","0.1644","0.1702","","","","","","1.048","","","","has coordinates","199762","2020-10-21","18:00:00",""
"7155819","30.029","0.004","5.0205","0.0005","17.915","0.002","90","","104.28","0.013","90","","2617.4","0.5","298.84","0.1","298.84","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Ma, Haojie; Zhou, Xiaoqiang; Zhan, Zhenzhen; Wei, Daidong; Shi, Chong; Liu, Xingxing; Huang, Guosheng","Copper‒Catalyzed Transformation of Ketones to Amides via C(CO)‒C(alkyl) Bond Cleavage Directed by Picolinamide","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01636K","","x-ray","0.71073","MoKα","","0.1752","0.073","","","0.1332","0.1797","","","","","","1.048","","","","has coordinates","199763","2020-10-21","18:00:00",""
"7155820","11.0499","0.0014","11.3287","0.0014","11.7946","0.0014","90","","113.702","0.001","90","","1351.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C52 H84 N4 O12 -","4","1","","He, Xinwei; Yu, Zhiyu; Zuo, Youpeng; Yang, Cheng; Shang, Yongjia","Direct Carboxamidation of Cyclic 2-Diazo-1,3-diketones by Rh2(OAc)4-catalyzed Isocyanide Insertion-Hydrolysis","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01801K","","","0.71073","MoKα","","0.0558","0.0422","","","0.116","0.1253","","","","","","1.052","","","","has coordinates","199764","2020-10-21","18:00:00",""
"7155821","46.4589","0.0008","7.7649","0.0001","18.0818","0.0013","90","","93.435","0.007","90","","6511.3","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H52 N4 O S -","- C33 H52 N4 O S -","- C264 H416 N32 O8 S8 -","8","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.0562","0.0459","","","0.127","0.1462","","","","","","1.017","","","","has coordinates","199765","2020-10-21","18:00:00",""
"7155822","10.428","0.0001","8.6604","0.0001","30.374","0.002","90","","99.054","0.006","90","","2708.92","0.19","153","2","153","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H30.5 F6 N3.5 O -","- C26 H30.5 F6 N3.5 O -","- C104 H122 F24 N14 O4 -","4","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.0787","0.0543","","","0.1391","0.1607","","","","","","1.017","","","","has coordinates,has disorder","199765","2020-10-21","18:00:00",""
"7155823","9.8669","0.0012","11.6783","0.0013","16.7989","0.0019","94.509","0.005","90.153","0.004","99.505","0.005","1903","0.4","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 F12 N6 O2 -","- C36 H26 F12 N6 O2 -","- C72 H52 F24 N12 O4 -","2","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.0962","0.0756","","","0.177","0.192","","","","","","1.027","","","","has coordinates,has disorder","199765","2020-10-21","18:00:00",""
"7155824","21.9302","0.0015","8.3467","0.0006","26.7797","0.0014","90","","90","","90","","4901.9","0.5","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C50 H69 N7 O2 S2 -","- C50 H69 N7 O2 S2 -","- C200 H276 N28 O8 S8 -","4","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.0723","0.059","","","0.1399","0.1535","","","","","","1.035","","","","has coordinates","199765","2020-10-21","18:00:00",""
"7155825","30.8271","0.0017","8.5867","0.0004","22.1213","0.0016","90","","108.296","0.003","90","","5559.6","0.6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53 H65 F12 N7 O S2 -","- C52 H61 F12 N7 S2 -","- C208 H244 F48 N28 S8 -","4","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.1022","0.0703","","","0.1652","0.1751","","","","","","1.046","","","","has coordinates,has disorder","199765","2020-10-21","18:00:00",""
"7155826","47.563","0.003","7.5976","0.0004","17.5514","0.0008","90","","94.075","0.004","90","","6326.4","0.6","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H52 N4 O2 -","- C33 H52 N4 O2 -","- C264 H416 N32 O16 -","8","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.0578","0.0458","","","0.1232","0.1347","","","","","","1.005","","","","has coordinates","199765","2020-10-21","18:00:00",""
"7155827","4.8277","0.0002","24.7394","0.0009","16.4158","0.0009","90","","94.129","0.002","90","","1955.52","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 F6 N3 O2 -","- C19 H17 F6 N3 O2 -","- C76 H68 F24 N12 O8 -","4","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.105","0.0713","","","0.1578","0.1823","","","","","","1.026","","","","has coordinates,has disorder","199765","2020-10-21","18:00:00",""
"7155828","3.8441","0.0003","14.0818","0.0011","8.2393","0.0007","90","","101.091","0.005","90","","437.68","0.06","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C18 H18 N6 O4 -","2","1","","Sarkar, Sujan K.; Gatlin, DeVonna M; Das, Anushree; Loftin, Breyinn; Krause, Jeanette; Abe, Manabu; Gudmundsdottir , Anna","Laser flash photolysis of nanocrystalline α-azido-p-methoxy-acetophenone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01731F","","","0.7749","synchrotron","","0.0454","0.0365","","","0.0846","0.0889","","","","","","1.072","","","","has coordinates","199793","2020-10-21","18:00:00",""
"7155829","16.431","0.003","5.3912","0.0009","16.311","0.003","90","","94.01","0.003","90","","1441.3","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Sarkar, Sujan K.; Gatlin, DeVonna M; Das, Anushree; Loftin, Breyinn; Krause, Jeanette; Abe, Manabu; Gudmundsdottir , Anna","Laser flash photolysis of nanocrystalline α-azido-p-methoxy-acetophenone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01731F","","","0.7749","synchrotron","","0.0679","0.0424","","","0.1017","0.1132","","","","","","1.007","","","","has coordinates","199793","2020-10-21","18:00:00",""
"7155830","7.4726","0.0006","20.1154","0.0016","23.4601","0.0019","90","","90","","90","","3526.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H58 O3 Si2 -","- C31 H58 O3 Si2 -","- C124 H232 O12 Si8 -","4","1","","Guillade, Lucía; Gónzalez Pérez, Adán B; R. de LERA, Angel","Synthesis of the Octahydronaphthalene Core of Nahuoic Acid A via a B(C6F5)3-Catalyzed Intramolecular Diels-Alder (IMDA) Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01665D","","","1.54178","CuKα","","0.0863","0.0701","","","0.1881","0.2039","","","","","","1.039","","","","has coordinates","199835","2020-10-21","18:00:00",""
"7155831","8.2887","0.0011","17.918","0.004","12.294","0.002","90","","104.347","0.004","90","","1768.9","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H58 O3 Si2 -","- C31 H58 O3 Si2 -","- C62 H116 O6 Si4 -","2","1","","Guillade, Lucía; Gónzalez Pérez, Adán B; R. de LERA, Angel","Synthesis of the Octahydronaphthalene Core of Nahuoic Acid A via a B(C6F5)3-Catalyzed Intramolecular Diels-Alder (IMDA) Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01665D","","","1.54178","CuKα","","0.1066","0.0969","","","0.2401","0.2533","","","","","","1.087","","","","has coordinates,has disorder","199835","2020-10-21","18:00:00",""
"7155832","5.49","0.0002","19.9165","0.0006","18.1684","0.0008","90","","94.993","0.004","90","","1979.02","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N0 O3 P -","- C21 H20 Br O3 P -","- C84 H80 Br4 O12 P4 -","4","1","","Wang, Hai-Yang; Huang, Liye; Cao, Xiaohui; Liang, Dacheng; Peng, Ai-Yun","Synthesis of phostones via DABCO-catalyzed bromocyclization of alkenylphosphonic acid monoesters","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01436H","","","1.54178","CuKα","","0.0727","0.0613","","","0.1693","0.18","","","","","","1.074","","","","has coordinates","199836","2020-10-21","18:00:00",""
"7155833","20.981","0.003","11.5804","0.0017","20.012","0.003","90","","100.351","0.005","90","","4783.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 Cl N2 O8 -","- C22 H25 Cl N2 O8 -","- C176 H200 Cl8 N16 O64 -","8","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.0841","0.0588","","","0.1489","0.1647","","","","","","1.028","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155834","11.7002","0.0019","10.3645","0.0014","20.605","0.003","90","","97.755","0.005","90","","2475.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl3 N3 O6 -","- C21 H22 Cl3 N3 O6 -","- C84 H88 Cl12 N12 O24 -","4","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.1188","0.0865","","","0.2264","0.2564","","","","","","1.066","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155835","10.2898","0.0013","10.3345","0.0013","10.6805","0.0016","110.213","0.004","92.129","0.004","94.62","0.004","1059.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O7 -","- C21 H23 N3 O7 -","- C42 H46 N6 O14 -","2","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.1059","0.0626","","","0.1462","0.1752","","","","","","1.065","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155836","9.1043","0.0015","10.3101","0.0017","12.91","0.002","108.789","0.004","106.251","0.004","98.82","0.005","1061.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O6 -","- C21 H23 N3 O6 -","- C42 H46 N6 O12 -","2","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.0684","0.0556","","","0.1566","0.1712","","","","","","1.043","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155837","10.3301","0.0013","10.6104","0.0013","12.2479","0.0015","68.368","0.003","82.297","0.003","61.873","0.003","1099.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N3 O8 -","- C21 H25 N3 O8 -","- C42 H50 N6 O16 -","2","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.0543","0.0422","","","0.1189","0.1374","","","","","","1.088","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155838","8.2529","0.0011","10.4792","0.0014","14.724","0.002","90.68","0.005","97.661","0.005","108.073","0.004","1197.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O10 -","- C22 H25 N3 O10 -","- C44 H50 N6 O20 -","2","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.0981","0.0699","","","0.189","0.2114","","","","","","1.033","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155839","26.9454","0.0014","5.9941","0.0003","20.0378","0.001","90","","121.992","0.001","90","","2744.8","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H26 N4 O7 -","- C28 H26 N4 O7 -","- C112 H104 N16 O28 -","4","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.2013","0.1195","","","0.2668","0.3179","","","","","","1.084","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155840","11.771","0.004","10.369","0.003","20.983","0.006","90","","96.31","0.01","90","","2545.5","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 O7 -","- C21 H23 N3 O7 -","- C84 H92 N12 O28 -","4","1","","Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo","Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01860F","","","0.71073","MoKα","","0.1234","0.0858","","","0.271","0.294","","","","","","1.103","","","","has coordinates","199848","2020-10-21","18:00:00",""
"7155841","7.1646","0.0006","5.8851","0.0004","14.5753","0.0014","90","","93.051","0.009","90","","613.69","0.09","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-iodobut-2-enoic acid","","- C4 H5 I O2 -","- C4 H5 I O2 -","- C16 H20 I4 O8 -","4","1","","Vanden Berg, Timothy J.; Pinkerton, David M.; Williams, Craig M.","7-Step total synthesis of (+)-EBC-329: Photoisomerisation reveals new seco-casbane family member","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01400G","","","0.71073","MoKα","","0.0782","0.0461","","","0.0772","0.0967","","","","","","1.03","","","","has coordinates","199849","2020-10-21","18:00:00",""
"7155842","9.1046","0.0008","15.0988","0.0014","14.5408","0.0015","90","","93.271","0.006","90","","1995.6","0.3","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H25 N3 O2 -","- C23 H25 N3 O2 -","- C92 H100 N12 O8 -","4","2","","Garcia-Valverde, Maria; Pertejo, Pablo; Peña-Calleja, Pablo; Carreira-Barral, Israel; quesada, roberto; Cordero, Nicolás A.; Rodríguez, Francisco J.","Novel pyrrolobenzodiazepine and pyrroloquinazoline scaffolds synthesized by a simple and highly selective Ugi/cyclization sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01807J","","","0.71073","MoKα","","0.088","0.0618","","","0.1384","0.1561","","","","","","1.044","","","","has coordinates","199850","2020-10-21","18:00:00",""
"7155843","9.9552","0.0005","10.5626","0.0005","10.569","0.0005","69.563","0.003","62.162","0.003","69.785","0.003","898.28","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C40 H50 N6 O4 -","2","1","","Garcia-Valverde, Maria; Pertejo, Pablo; Peña-Calleja, Pablo; Carreira-Barral, Israel; quesada, roberto; Cordero, Nicolás A.; Rodríguez, Francisco J.","Novel pyrrolobenzodiazepine and pyrroloquinazoline scaffolds synthesized by a simple and highly selective Ugi/cyclization sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01807J","","","0.71073","MoKα","","0.056","0.0405","","","0.0986","0.1078","","","","","","1.039","","","","has coordinates","199850","2020-10-21","18:00:00",""
"7155844","15.6121","0.0015","11.9598","0.0012","12.8469","0.0013","90","","103.093","0.007","90","","2336.4","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(6-chlorophenanthren-9-yl)(4-nitrophenyl)methyl diethyl phosphate","","- C25 H23 Cl N O6 P -","- C25 H23 Cl N O6 P -","- C100 H92 Cl4 N4 O24 P4 -","4","1","","Kondoh, Azusa; Ozawa, Ryosuke; Aoki, Takuma; Terada, Masahiro","Intramolecular Addition of Benzyl Anion to Alkyne Utilizing [1,2]-Phospha-Brook Rearrangement under Brønsted Base Catalysis","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02059G","","","0.71075","MoKα","","0.0496","0.0433","","","0.1105","0.1146","","","","","","1.043","","","","has coordinates","199893","2020-10-21","18:00:00",""
"7155845","14.557","0.008","7.392","0.004","18.717","0.008","90","","113.45","0.03","90","","1847.7","1.7","293","2","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Pramanik, Mukund M. D.; Nagode, Savita B.; Kant, Ruchir; Rastogi, Namrata","Visible light catalyzed Mannich reaction between tert-amines and silyl diazoenolates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01756A","","","0.71075","MoKα","","0.156","0.075","","","0.1759","0.2001","","","","","","0.961","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155846","7.7439","0.0003","7.8264","0.0003","9.1707","0.0003","76.972","0.0013","81.6747","0.0014","83.9592","0.0014","534.27","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H14 O6 -","- C11 H14 O6 -","- C22 H28 O12 -","2","1","","Geibel, Irina; Schmidtmann, Marc; Christoffers, Jens","Cerium-Catalyzed, Oxidative Synthesis of Annulated, Tetrasubstituted Dihydrofuran-Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01904A","","","0.71073","MoKα","","0.0316","0.0296","","","0.0863","0.0879","","","","","","1.059","","","","has coordinates","199923","2020-10-21","18:00:00",""
"7155847","14.688","0.0015","5.0342","0.0005","16.7218","0.0015","90","","98.151","0.004","90","","1224","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C50 H60 N4 O12 -","2","1","","HERNÁNDEZ MESA, DÁCIL; Boto, Alicia; Guzman, David; Alvarez González, Eleuterio","Metal-free, direct conversion of α-amino acids into α-keto γ-amino esters for the syntesis of α,γ-Peptides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02033C","","","0.71073","MoKα","","0.0679","0.0523","","","0.1348","0.1444","","","","","","1.024","","","","has coordinates","199924","2020-10-21","18:00:00",""
"7155848","10.9737","0.0008","4.9511","0.0004","22.0555","0.0019","90","","102.768","0.003","90","","1168.69","0.16","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 Cl2 N2 O5 -","- C23 H26 Cl2 N2 O5 -","- C46 H52 Cl4 N4 O10 -","2","1","","HERNÁNDEZ MESA, DÁCIL; Boto, Alicia; Guzman, David; Alvarez González, Eleuterio","Metal-free, direct conversion of α-amino acids into α-keto γ-amino esters for the syntesis of α,γ-Peptides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02033C","","","0.71073","MoKα","","0.1007","0.0842","","","0.2366","0.2513","","","","","","1.053","","","","has coordinates","199924","2020-10-21","18:00:00",""
"7155849","8.312","0.0005","10.2393","0.0007","21.6965","0.0014","90","","97.053","0.001","90","","1832.6","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl N2 S -","- C23 H17 Cl N2 S -","- C92 H68 Cl4 N8 S4 -","4","1","","karunakar, Galla venkata; Kommuru, Goutham; Kadiyala, Veerabhushanam; Balasubramanian, Sridhar","Gold-catalyzed Intramolecular Cyclization/Condensation Sequence: Synthesis of 1,2-Dihydro[c][2,7]naphthyridines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01285C","","","0.71073","MoKα","","0.0559","0.047","","","0.1211","0.1277","","","","","","1.033","","","","has coordinates","199963","2020-10-21","18:00:00",""
"7155850","9.8885","0.0004","11.7756","0.0004","24.4823","0.001","90","","90","","90","","2850.79","0.19","298.84","0.1","298.84","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br3 N O -","- C12 H12 Br3 N O -","- C96 H96 Br24 N8 O8 -","8","1","","Chen, Fengjuan; Wang, Yajun; Zhao, Shijun; Jiang, Wei; Huo, Cong-De","Tandem radical cyclization to construct poly-brominated 2-oxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01859B","","x-ray","0.71073","MoKα","","0.0812","0.0429","","","0.0708","0.0839","","","","","","1.043","","","","has coordinates","200001","2020-10-21","18:00:00",""
"7155851","8.8691","0.0009","11.1836","0.0009","12.6245","0.0012","92.638","0.007","99.87","0.008","105.055","0.008","1185.9","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Cl N2 O2 -","- C29 H23 Cl N2 O2 -","- C58 H46 Cl2 N4 O4 -","2","1","","Xu, Jianfeng; Yuan, Shiru; Peng, Jingyi; Miao, Maozhong; Chen, Zhengkai; Ren, Hongjun","Base-Mediated Diastereoselective [4+3] Annulation of in situ Generated ortho-Quinone Methides with C,N-Cyclic Azomethine Imines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01783A","","","0.71073","MoKα","","0.0866","0.0588","","","0.1557","0.1817","","","","","","1.07","","","","has coordinates","200002","2020-10-21","18:00:00",""
"7155852","9.0736","0.0013","10.7768","0.0012","21.461","0.003","90","","90","","90","","2098.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-methyl-2-oxo-5-((E)-(2-oxo-4,8b-dihydro-2H-indeno[1,2-b]furan-3(3aH)-ylidene) methoxy)-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C88 H92 N4 O24 -","4","1","","Prandi, Cristina; Lombardi, Chiara; Artuso, Emma; LOLLI, Marco Lucio Lucio; Grandi, Eleonora; Priola, Emanuele; Spyrakis, Francesca","Recent Advances in the Synthesis of Analogues of Phytohormones Strigolactones with Ring-Closing Metathesis as a Key Step","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01917C","","","1.54184","CuKα","","0.108","0.0522","","","0.0999","0.1247","","","","","","1.033","","","","has coordinates","200021","2020-10-21","18:00:00",""
"7155853","10.884","0.0009","14.483","0.0013","14.997","0.0012","104.061","0.002","106.62","0.002","100.897","0.001","2110.7","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C108 H92 N12 O4 -","4","2","","Lin, Wei; Hu, Xiuxiu; Song, Shuai; Cai, Qi; Wang, Yun; Shi, DaQing","Microwave-assisted synthesis of novel hetero[5]helicene-like molecules and coumarin derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01742A","","","0.71073","MoKα","","0.115","0.0527","","","0.0931","0.1069","","","","","","1.052","","","","has coordinates","200022","2020-10-21","18:00:00",""
"7155854","10.007","0.0009","11.0039","0.0011","18.1201","0.0016","90","","105.024","0.002","90","","1927.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C108 H84 N12 O8 -","4","1","","Lin, Wei; Hu, Xiuxiu; Song, Shuai; Cai, Qi; Wang, Yun; Shi, DaQing","Microwave-assisted synthesis of novel hetero[5]helicene-like molecules and coumarin derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01742A","","","0.71073","MoKα","","0.1874","0.0752","","","0.1788","0.2666","","","","","","1.053","","","","has coordinates,has disorder","200022","2020-10-21","18:00:00",""
"7155855","10.19","0.002","15.31","0.003","13.623","0.003","90","","97.81","0.03","90","","2105.6","0.8","289","2","289","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O S -","- C25 H23 N O S -","- C100 H92 N4 O4 S4 -","4","1","","Xie, Xiaoyu; Li, Pinhua; Shi, Qing; Wang, Lei","Visible-light-induced tandem cyclization of 2-alkynylanilines with disulfides: A convenient method for accessing benzothiophenes under transition-metal-free and photocatalyst-free conditions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01747B","","","0.71073","MoKα","","0.1056","0.0565","","","0.1194","0.1394","","","","","","1.025","","","","has coordinates","200023","2020-10-21","18:00:00",""
"7155856","20.3605","0.0003","11.6571","0.0003","21.6409","0.0008","90","","90.325","0.003","90","","5136.3","0.2","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 B F2 N3 -","- C29 H32 B F2 N3 -","- C232 H256 B8 F16 N24 -","8","2","","Alnoman, Rua Bandar; Stachelek, Patrycja; Knight, Julian G.; Harriman, Anthony; Waddell, Paul G.","Synthesis of 2-aminoBODIPYs by palladium catalysed amination","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01767G","","","1.54184","CuKα","","0.052","0.0384","","","0.0947","0.1043","","","","","","1.015","","","","has coordinates","200059","2020-10-21","18:00:00",""
"7155857","20.508","0.007","7.052","0.002","15.829","0.006","90","","120.795","0.015","90","","1966.5","1.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","KMK","","","- C21 H18 Br N2 O2 -","- C21 H18 Br N2 O2 -","- C84 H72 Br4 N8 O8 -","4","1","","Chen, Fu-Xue; Karmaker, Pran Gopal; Qiu, Jiashen; Wu, Di; Yin, Hongquan; Yang, Zhuo; Ren, Mengmeng","Enantioselective Electrophilic Cyanation of β-keto Amides Catalysed by Cinchona Organocatalyst","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01782K","","","0.71073","MoKα","","0.1353","0.0519","","","0.0887","0.1035","","","","","","0.934","","","","has coordinates","200116","2020-10-21","18:00:00",""
"7155858","17.0425","0.0003","6.4551","0.0001","17.1404","0.0003","90","","95.917","0.0006","90","","1875.59","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(±)-4-(4-bromophenyl)-2,2,7,10-tetramethyl-1,4-dihydro-2H-benzo[f]isochromene (2dA)","","- C23 H23 Br O -","- C23 H23 Br O -","- C92 H92 Br4 O4 -","4","1","","Hinkle, Robert J.; Chen, Yuzhou; Nofi, Colleen P.; Lewis, Shane E.","Electronic effects on a one-pot aromatization cascade involving alkynyl-Prins cyclization, Friedel‒Crafts alkylation and dehydration to tricyclic benzo[f]isochromenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01412K","","","1.54178","CuKα","","0.0245","0.0242","","","0.0654","0.0656","","","","","","1.031","","","","has coordinates","200117","2020-10-21","18:00:00",""
"7155859","18.1842","0.0002","8.9542","0.0001","20.2236","0.0002","90","","90","","90","","3292.91","0.06","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2S*,4R*)-2-methyl-4-(p-tolyl)-1,4-dihydro-2H-benzo-[f]isochromene (cis-(±)-2eD)","","- C21 H20 O -","- C21 H20 O -","- C168 H160 O8 -","8","1","","Hinkle, Robert J.; Chen, Yuzhou; Nofi, Colleen P.; Lewis, Shane E.","Electronic effects on a one-pot aromatization cascade involving alkynyl-Prins cyclization, Friedel‒Crafts alkylation and dehydration to tricyclic benzo[f]isochromenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01412K","","","1.54178","CuKα","","0.0488","0.0406","","","0.1157","0.1246","","","","","","1.026","","","","has coordinates","200117","2020-10-21","18:00:00",""
"7155860","22.372","0.002","8.6007","0.0009","20.507","0.003","90","","121.939","0.004","90","","3348.5","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","1","","Chen, Chuang; zhu, menghua; jiang, Lihui; Zeng, Zebing; yi, niannian; Xiang, Jiannan","Copper-Catalyzed Oxidative Cross-coupling of α-Aminocarbonyl Compounds with Primary Amines toward 2-Oxo-acetamidines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02012K","","","1.54178","CuKα","","0.0515","0.0456","","","0.1158","0.1209","","","","","","1.002","","","","has coordinates","200118","2020-10-21","18:00:00",""
"7155861","8.24","0.04","10.18","0.06","13.48","0.07","103.86","0.16","92.63","0.11","113.2","0.12","997","9","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Br2 N O3 S -","- C20 H15 Br2 N O3 S -","- C40 H30 Br4 N2 O6 S2 -","2","1","","Su, Zhenjie; Qian, Siran; Xue, Shuwen; Wang, Cunde","DBU-mediated [4 + 1] Annulations of Donor-Acceptor Cyclopropanes with Carbon disulfide or Thiourea for Synthesis of 2-Aminothiophene-3-carboxylates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01886J","","","0.71073","MoKα","","0.1165","0.0725","","","0.2067","0.244","","","","","","1.021","","","","has coordinates","200119","2020-10-21","18:00:00",""
"7155862","31.62","0.06","8.854","0.017","13.34","0.03","90","","99.52","0.04","90","","3683","13","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br N O3 S -","- C20 H16 Br N O3 S -","- C160 H128 Br8 N8 O24 S8 -","8","1","","Su, Zhenjie; Qian, Siran; Xue, Shuwen; Wang, Cunde","DBU-mediated [4 + 1] Annulations of Donor-Acceptor Cyclopropanes with Carbon disulfide or Thiourea for Synthesis of 2-Aminothiophene-3-carboxylates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01886J","","","0.71073","MoKα","","0.067","0.0447","","","0.125","0.1489","","","","","","1.064","","","","has coordinates","200119","2020-10-21","18:00:00",""
"7155863","8.1715","0.0006","9.5381","0.0007","13.8371","0.001","74.718","0.002","78.453","0.002","70.74","0.002","974.49","0.12","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Cl2 N O3 S -","- C20 H15 Cl2 N O3 S -","- C40 H30 Cl4 N2 O6 S2 -","2","1","","Su, Zhenjie; Qian, Siran; Xue, Shuwen; Wang, Cunde","DBU-mediated [4 + 1] Annulations of Donor-Acceptor Cyclopropanes with Carbon disulfide or Thiourea for Synthesis of 2-Aminothiophene-3-carboxylates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01886J","","","0.71073","MoKα","","0.0534","0.0466","","","0.1309","0.1437","","","","","","1.062","","","","has coordinates","200119","2020-10-21","18:00:00",""
"7155864","12.16","0.004","16.526","0.005","19.764","0.006","75.92","0.005","73.481","0.005","86.123","0.006","3693","2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H75 Br5 O10 -","- C70 H75 Br5 O10 -","- C140 H150 Br10 O20 -","2","1","","Ding, Jiaming; Chen, Jiafu; Mao, Weipeng; Huang, Junrou; Ma, Da","A New Synthetic Method for Non-symmetric Pillar[5]arenes with Simple Isolation and Improved Yield","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02013A","","","0.71073","MoKα","","0.2148","0.138","","","0.3774","0.4184","","","","","","1.163","","","","has coordinates,has disorder","200120","2020-10-21","18:00:00",""
"7155865","17.427","0.003","7.3463","0.0011","18.485","0.003","90","","95.213","0.004","90","","2356.7","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C124 H100 N4 O12 -","4","2","","Li, Xiangdong; Zhao, JiDong; Xie, Xin; Liu, Yuanhong","Synthesis of Functionalized Indolizines via Gold(I)-Catalyzed Intramolecular Hydroarylation/aromatization of Pyrrole-Ynes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02102J","","","0.71073","MoKα","","0.1552","0.1221","","","0.2902","0.3208","","","","","","1.102","","","","has coordinates","200198","2020-10-21","18:00:00",""
"7155866","18.7982","0.0016","6.0423","0.0005","14.304","0.0012","90","","101.908","0.004","90","","1589.7","0.2","150","2","150","2","","","","","","","Organic synthesis","5","C 1 2 1","C 2y","5","","(R,R)-3-(2-methylpropane-2-sulfinylamino)-2,2-dimethyl-3-phenylpropanoic acid","","- C15 H23 N O3 S -","- C15 H23 N O3 S -","- C60 H92 N4 O12 S4 -","4","1","","Cantú-Reyes, Margarita; Alvarado-Beltrán, Isabel; Ballinas-Indilí, Ricardo; Álvarez-Toledano, Cecilio; Hernández-Rodríguez, Marcos","Stereodivergent Mannich reaction of bis(trimethylsilyl)ketene acetals with N-tert-butanesulfinyl imines by Lewis acid or Lewis base activation, a one-pot protocol to obtain chiral β-amino acids","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01853C","","","1.54178","CuKα","","0.0455","0.0415","","","0.0959","0.0994","","","","","","1.139","","","","has coordinates","200273","2020-10-21","18:00:00",""
"7155867","12.844","0.004","13.059","0.003","17.671","0.006","90","","109.17","0.03","90","","2799.6","1.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 N4 O2 S3 -","- C31 H20 N4 O2 S3 -","- C124 H80 N16 O8 S12 -","4","1","","Vahabi, Amir Hossein; Alizadeh, Abdolali; Khavasi, Hamid Reza; Bazgir, Ayoob","Palladium-catalyzed, unsymmetrical homocoupling of thiophenes via carbon‒sulfur bond activation: a new avenue to homocoupling reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01923H","","","0.71073","MoKα","","0.2212","0.0907","","","0.1091","0.1378","","","","","","0.939","","","","has coordinates","200366","2020-10-21","18:00:00",""
"7155868","6.4503","0.0016","12.709","0.003","16.51","0.004","80.068","0.019","88.626","0.019","82.085","0.019","1320.5","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H16 N4 O2 S3 -","- C25 H16 N4 O2 S3 -","- C50 H32 N8 O4 S6 -","2","1","","Vahabi, Amir Hossein; Alizadeh, Abdolali; Khavasi, Hamid Reza; Bazgir, Ayoob","Palladium-catalyzed, unsymmetrical homocoupling of thiophenes via carbon‒sulfur bond activation: a new avenue to homocoupling reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01923H","","","0.71073","MoKα","","0.3047","0.135","","","0.2636","0.321","","","","","","0.969","","","","has coordinates","200366","2020-10-21","18:00:00",""
"7155869","19.134","0.01","10.392","0.004","10.998","0.005","90","","98.116","0.01","90","","2164.9","1.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1a","","- C31 H22 O -","- C31 H22 O -","- C124 H88 O4 -","4","0.5","","Prati, Luca; Mancinelli, Michele; Ciogli, Alessia; Mazzanti, Andrea","Tetrasubstituted Cyclopentadienones as Suitable Enantiopure Ligands with Axial Chirality","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01455D","","","0.71073","MoKα","","0.1144","0.0627","","","0.1208","0.1423","","","","","","1.068","","","","has coordinates","200769","2020-10-21","18:00:00",""
"7155870","15.0717","0.0008","10.5131","0.0005","9.6899","0.0005","90","","99.871","0.005","90","","1512.64","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C68 H60 N4 O12 S4 -","4","1","","Wang, Huihong; Shi, Tao; Gao, Weiwei; Zhang, Hong-Hua; Wang, Yongqiang; Li, Junfang; Hou, Yong sheng; Chen, Jin-Hong; Peng, Xue; Wang, Zhen","Double 1, 4-additions of (Thio)salicylamides/Thiosalicylic Acids with Propiolate Derivatives: A Direct, General Synthesis of Diverse Heterocyclic Scaffolds","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02101A","","","0.71073","MoKα","","0.0696","0.0476","","","0.0947","0.1097","","","","","","1.049","","","","has coordinates","200770","2020-10-21","18:00:00",""
"7155871","11.9367","0.0004","14.2449","0.0004","11.4918","0.0003","90","","112.287","0.004","90","","1808.06","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","((1R,2R)-2-(4-methoxyphenoxy)-1-phenylcyclopropyl)(pyrrolidin-1-yl)methanone","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Yamanushkin, Pavel; Lu Diaz, Michael; Edwards, Andrew Stephen; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Directed Nucleophilic Addition of Phenoxides to Cyclopropenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01785E","","x-ray","1.54184","CuKα","","0.0632","0.0592","","","0.1653","0.1717","","","","","","1.063","","","","has coordinates","200771","2020-10-21","18:00:00",""
"7155872","9.4667","0.0005","10.5554","0.0006","10.6002","0.0006","62.334","0.006","83.248","0.005","79.062","0.005","920.55","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C42 H46 N2 O8 -","2","1","","Yamanushkin, Pavel; Lu Diaz, Michael; Edwards, Andrew Stephen; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Directed Nucleophilic Addition of Phenoxides to Cyclopropenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01785E","","x-ray","1.54184","CuKα","","0.0448","0.0401","","","0.1119","0.1163","","","","","","1.055","","","","has coordinates","200771","2020-10-21","18:00:00",""
"7155873","15.5689","0.0012","10.3588","0.0006","11.1945","0.0007","90","","92.692","0.006","90","","1803.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N2 O5 S -","- C17 H26 N2 O5 S -","- C68 H104 N8 O20 S4 -","4","1","","Llona-Minguez, Sabin; Throup, Adam; Steiner, Emilie; Lightowler, Molly; Van der Haegen, Sandra; Homan, Evert; Eriksson, Lars; Stenmark, Pål; Jenmalm-Jensen, Annika; Helleday, Thomas","Novel spirocyclic systems via multicomponent aza-Diels‒Alder reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02069D","","","0.71073","MoKα","","0.0711","0.0398","","","0.0829","0.0866","","","","","","0.892","","","","has coordinates","200772","2020-10-21","18:00:00",""
"7155874","9.18906","0.00012","11.13074","0.00016","20.4649","0.0003","90","","97.6868","0.0012","90","","2074.36","0.05","135","0.1","135","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O7 S -","- C21 H21 N O7 S -","- C84 H84 N4 O28 S4 -","4","1","","xing, siyang; Cui, Hong; Gu, Nan; Li, Ying; Wang, Kui; Tian, Dawei; Qin, Jiajing; Liu, Qiaoyang","AgOTf-Catalyzed Sequential Synthesis of 4-Isoquinolone via Oxidative Ring Opening of Aziridines and Aza-Michael Addition","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02167D","","x-ray","1.54184","CuKα","","0.0591","0.0558","","","0.1546","0.1581","","","","","","1.075","","","","has coordinates","200817","2020-10-21","18:00:00",""
"7155875","15.2903","0.0014","5.0921","0.0004","16.0912","0.0014","90","","115.067","0.011","90","","1134.9","0.2","123","2","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-((fluoromethyl)sulfonyl)-1-phenylbutan-2-one","","- C11 H13 F O3 S -","- C11 H13 F O3 S -","- C44 H52 F4 O12 S4 -","4","1","","Konik, Yulia A.; Elek, Gabor Zoltan; Kaabel, Sandra; Järving, Ivar; Lopp, Margus; Kananovich, Dzmitry","Synthesis of γ-keto sulfones by copper-catalyzed oxidative sulfonylation of tertiary cyclopropanols","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01605K","","x-ray","1.54184","CuKα","","0.0701","0.0562","","","0.1399","0.1565","","","","","","1.084","","","","has coordinates","200818","2020-10-21","18:00:00",""
"7155876","6.098","0.003","27.444","0.014","11.214","0.003","90","","103.5","0.03","90","","1824.8","1.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C84 H84 N12 O4 -","4","1","","Varaksin, Mikhail V.; Moseev, Timofey D.; Chupakhin, Oleg N.; Charushin, Valery; Trofimov, Boris A.","Metal-free C-H functionalization of 2H-imidazole 1-oxides with pyrrolyl fragments in the design of novel azaheterocyclic ensembles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01999H","","","1.54184","CuKα","","0.0696","0.0434","","","0.0895","0.0922","","","","","","1.003","","","","has coordinates","200878","2020-10-21","18:00:00",""
"7155877","24.515","0.0015","8.318","0.0004","22.0494","0.0015","90","","100.632","0.003","90","","4419","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 Br N2 O2 -","- C23 H27 Br N2 O2 -","- C184 H216 Br8 N16 O16 -","8","1","","Groves, Brandon R.; Cameron, T. Stanley; Thompson, Alison","Deuteration and tautomeric reactivity of the 1-methyl functionality of free-base dipyrrins","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01278K","","","0.71075","MoKα","","","0.0395","","","","0.0502","","","","","","1.07","","","","has coordinates","200879","2020-10-21","18:00:00",""
"7155878","5.7189","0.0011","12.5306","0.0017","26.957","0.003","90","","90","","90","","1931.8","0.5","296","2","296","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Pan, Subhas Chandra; Maity, Rajendra","Enantioselective Aminocatalytic Synthesis of Tetrahydropyrano [2,3-c]Pyrazoles via Domino Michael-Hemiacetalization Reaction with Alkylidene Pyrazolones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02170D","","","0.71073","MoKα","","0.2183","0.1268","","","0.227","0.3032","","","","","","1.149","","","","has coordinates","200880","2020-10-21","18:00:00",""
"7155879","5.9545","0.0007","12.1404","0.0009","28.388","0.002","90","","90","","90","","2052.2","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C92 H92 Cl4 N8 O8 -","4","1","","Pan, Subhas Chandra; Maity, Rajendra","Enantioselective Aminocatalytic Synthesis of Tetrahydropyrano [2,3-c]Pyrazoles via Domino Michael-Hemiacetalization Reaction with Alkylidene Pyrazolones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02170D","","","0.71073","MoKα","","0.2029","0.1216","","","0.2518","0.3503","","","","","","1.081","","","","has coordinates","200880","2020-10-21","18:00:00",""
"7155880","12.6633","0.0019","16.796","0.002","9.359","0.0015","90","","104.449","0.016","90","","1927.6","0.5","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C92 H96 N8 O12 -","4","1","","Pan, Subhas Chandra; Maity, Rajendra","Enantioselective Aminocatalytic Synthesis of Tetrahydropyrano [2,3-c]Pyrazoles via Domino Michael-Hemiacetalization Reaction with Alkylidene Pyrazolones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02170D","","x-ray","0.71073","MoKα","","0.1554","0.0698","","","0.1432","0.1859","","","","","","1.017","","","","has coordinates","200880","2020-10-21","18:00:00",""
"7155881","10.482","","5.173","","12.755","","90","","98.46","","90","","684.094","","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O -","- C19 H16 O -","- C38 H32 O2 -","2","1","","Fan, Rui; Wen, Yuewei; Thamattoor, Dasan Madhav","Photochemical Generation and Trapping of 3-Oxacyclohexyne","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01697B","","","0.71073","MoKα","","0.0748","0.0455","","","0.1141","0.1341","","","","","","0.875","","","","has coordinates,has disorder","200956","2020-10-21","18:00:00",""
"7155882","10.5283","0.0002","14.2319","0.0003","14.0529","0.0003","90","","105.291","0.001","90","","2031.11","0.07","173","","172.98","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O5 -","- C25 H22 O5 -","- C100 H88 O20 -","4","1","","Fan, Rui; Wen, Yuewei; Thamattoor, Dasan Madhav","Photochemical Generation and Trapping of 3-Oxacyclohexyne","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01697B","","x-ray","0.71073","MoKα","K-L~3~","0.0737","0.0462","","","0.1024","0.1157","","","","","","1.014","","","","has coordinates,has disorder","200956","2020-10-21","18:00:00",""
"7155883","13.469","0.003","12.454","0.002","14.312","0.003","90","0.03","91.69","0.03","90","0.03","2399.7","0.8","173","2","172.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 O -","- C33 H26 O -","- C132 H104 O4 -","4","1","","Fan, Rui; Wen, Yuewei; Thamattoor, Dasan Madhav","Photochemical Generation and Trapping of 3-Oxacyclohexyne","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01697B","","x-ray","0.71073","MoKα","K-L~3~","0.1172","0.0509","","","0.0945","0.1158","","","","","","1.017","","","","has coordinates,has disorder","200956","2020-10-21","18:00:00",""
"7155884","10.918","0.002","14.453","0.003","14.576","0.003","90","","95.125","0.006","90","","2290.9","0.8","205","","205","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cl N2 O3 P -","- C24 H24 Cl N2 O3 P -","- C96 H96 Cl4 N8 O12 P4 -","4","1","","Wei, Weiwei; Li, Xuanyi; Gu, Meng; Yao, Hequan; Lin, Aijun","Cu/Pd Cooperatively Catalyzed Tandem C-N and C-P Bonds Formation: Access to Phosphorated 2H-Indazoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02323E","","","0.71073","MoKα","","0.1128","0.0552","","","0.1288","0.1557","","","","","","0.97","","","","has coordinates,has disorder","201020","2020-10-21","18:00:00",""
"7155885","8.75356","0.00007","8.85744","0.00005","24.746","0.0002","90","","90","","90","","1918.66","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Jackson, Mark; O'Broin, Calvin Quince; Müller-Bunz, Helge; Guiry, Patrick J.","Enantioselective synthesis of sterically hindered α-allyl‒α-aryl oxindoles via palladium-catalysed decarboxylative asymmetric allylic alkylation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02161E","","","1.54184","CuKα","","0.0309","0.0287","","","0.0711","0.0729","","","","","","1.041","","","","has coordinates","201021","2020-10-21","18:00:00",""
"7155886","12.4015","0.0003","12.4015","0.0003","44.3208","0.0011","90","","90","","90","","6816.4","0.3","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C39.5 H25.65 Cl4.35 N2 O2 -","- C39.5 H25.6525 Cl4.3475 N2 O2 -","- C316 H205.22 Cl34.78 N16 O16 -","8","2","","Ikai, Tomoyuki; Wada, Yuya; Awata, Seiya; Yun, Changsik; Maeda, Katsuhiro; Mizuno, Motohiro; Swager, Timothy M.","Chiral triptycene-pyrene π-conjugated chromophores with circularly polarized luminescence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02046E","","","1.54178","CuKα","","0.0727","0.0723","","","0.1932","0.1935","","","","","","1.146","","","","has coordinates,has disorder","201098","2020-10-21","18:00:00",""
"7155887","9.3298","0.0001","9.3298","0.0001","25.5998","0.0002","90","","90","","120","","1929.8","0.03","290","2","290","2","","","","","","","","5","P 32","P 32","145","","","","- C26 H27 N3 O4 S -","- C26 H27 N3 O4 S -","- C78 H81 N9 O12 S3 -","3","1","","Cui, Baodong; Chen, Yu; Shan, Jing; Qin, Lei; Yuan, Changlun; Wang, Yi; Han, Wen-Yong; Wan, Nanwei; Chen, Yong-Zheng","Enantioselective Synthesis of Spiro-oxindole-based 3,4-Dihydropyrroles via a Michael/Cyclization Cascade of 3-Aminooxindoles with 2-Enoylpyridines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02138K","","","1.54184","CuKα","","0.0344","0.0342","","","0.0916","0.0918","","","","","","1.035","","","","has coordinates","201165","2020-10-21","18:00:00",""
"7155888","5.8282","0.0001","12.018","0.0002","24.9007","0.0003","90","","90","","90","","1744.13","0.05","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(Z)-4-Allyl-N-butyl-3-phenyl-1H-isochromen-1-imine","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","","Alvarez, Rosana; Vilar, Unai; Madich, Youssef; Aurrecoechea, Jose M.","On the Regiochemical Differences between Pd-Catalyzed Heterocyclization-Allylation and -Arylation Reactions of Alkynylbenzamides: Preparation of 4-Allyl-isochromen-1-imines and Computational Study","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02117H","","x-ray","1.54184","","","0.0357","0.0339","","","0.0852","0.087","","","","","","1.038","","","","has coordinates","201196","2020-10-21","18:00:00",""
"7155889","9.4549","0.0011","10.764","0.0012","21.279","0.003","90","","98.778","0.002","90","","2140.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 3-hydroxy-5-methyl-2-(4-(<i>m</i>-tolyl)-1<i>H</i>-1,2,3-triazol-1-yl)-[1,1'-\ biphenyl]-4- carboxylate","","- C25 H23 N3 O3 -","- C25 H23 N3 O3 -","- C100 H92 N12 O12 -","4","1","","Wang, Qiang; Shi, Xiaonan; Zhang, Xinying; Fan, Xuesen","A Convenient Synthesis of 1-Aryl-1H-1,2,3-triazoles from Aliphatic Substrates","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02035J","","","0.71073","MoKα","","0.1068","0.0498","","","0.1102","0.1408","","","","","","1.004","","","","has coordinates","201197","2020-10-21","18:00:00",""
"7155890","10.371","0.0002","11.8296","0.0003","13.3226","0.0003","90","","90","","90","","1634.48","0.06","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Uroos, Maliha; Pitt, Phillip; Harwood, Laurence Marius; Lewis, William; Blake, Alexander J.; Hayes, Christopher J. J","Total synthesis of (‒)-aritasone via the ultra-high pressure hetero-Diels-Alder dimerisation of (‒)-pinocarvone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02204B","","x-ray","1.54184","CuKα","","0.0282","0.0278","","","0.0751","0.0754","","","","","","1.052","","","","has coordinates","201341","2020-10-21","18:00:00",""
"7155891","6.6086","0.0003","9.9529","0.0005","25.6799","0.0013","90","","90","","90","","1689.09","0.14","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Uroos, Maliha; Pitt, Phillip; Harwood, Laurence Marius; Lewis, William; Blake, Alexander J.; Hayes, Christopher J. J","Total synthesis of (‒)-aritasone via the ultra-high pressure hetero-Diels-Alder dimerisation of (‒)-pinocarvone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02204B","","","0.71073","MoKα","","0.0607","0.0502","","","0.0924","0.0988","","","","","","1.063","","","","has coordinates","201341","2020-10-21","18:00:00",""
"7155892","6.2525","0.0006","10.9938","0.001","24.717","0.002","90","","90","","90","","1699","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Uroos, Maliha; Pitt, Phillip; Harwood, Laurence Marius; Lewis, William; Blake, Alexander J.; Hayes, Christopher J. J","Total synthesis of (‒)-aritasone via the ultra-high pressure hetero-Diels-Alder dimerisation of (‒)-pinocarvone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02204B","","","0.71073","MoKα","","0.059","0.0553","","","0.1194","0.1211","","","","","","1.184","","","","has coordinates","201341","2020-10-21","18:00:00",""
"7155893","21.834","0.004","4.927","0.001","22.042","0.004","90","","97.23","0.03","90","","2352.3","0.8","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C27 H6 F15 N3 O3 -","- C27 H6 F15 N3 O3 -","- C108 H24 F60 N12 O12 -","4","2","","Mehr, S. Hessam M.; Oshima, Hiroya; Carta, Veronica; Patrick, Brian O.; White, Nicholas G.; MacLachlan, Mark J.","Tuning the tautomeric behavior of tris(salicylaldimines)","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02058A","","x-ray","0.68879","","","0.039","0.0344","","","0.0903","0.0929","","","","","","1.104","","","","has coordinates,has disorder","201396","2020-10-21","18:00:00",""
"7155894","15.537","0.002","4.479","0.0007","14.849","0.002","90","","100.182","0.004","90","","1017.1","0.2","90","","90","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N6 O3 -","- C9 H12 N6 O3 -","- C36 H48 N24 O12 -","4","1","","Mehr, S. Hessam M.; Oshima, Hiroya; Carta, Veronica; Patrick, Brian O.; White, Nicholas G.; MacLachlan, Mark J.","Tuning the tautomeric behavior of tris(salicylaldimines)","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02058A","","","0.71073","MoKα","","0.0581","0.0486","","0.1092","0.1054","0.1091","","","","","","0.9843","","","","has coordinates,has disorder","201396","2020-10-21","18:00:00",""
"7155895","4.3393","0.0014","18.049","0.006","20.965","0.007","90","","90.408","0.006","90","","1641.9","0.9","90","","90","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl2 N6 O12 -","- C31 H32 Cl2 N6 O12 -","- C62 H64 Cl4 N12 O24 -","2","0.5","","Mehr, S. Hessam M.; Oshima, Hiroya; Carta, Veronica; Patrick, Brian O.; White, Nicholas G.; MacLachlan, Mark J.","Tuning the tautomeric behavior of tris(salicylaldimines)","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02058A","","","0.71073","MoKα","","0.0782","0.0677","","0.1341","0.1305","0.1341","","","","","","0.9101","","","","has coordinates","201396","2020-10-21","18:00:00",""
"7155896","33.094","0.004","33.094","0.004","4.6401","0.0007","90","","90","","90","","5081.9","1.2","90","","90","","","","","","","","synthesized","4","I -4","I -4","82","","","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C240 H216 N24 O48 -","8","1","","Mehr, S. Hessam M.; Oshima, Hiroya; Carta, Veronica; Patrick, Brian O.; White, Nicholas G.; MacLachlan, Mark J.","Tuning the tautomeric behavior of tris(salicylaldimines)","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02058A","","","1.54178","CuKα","","0.0529","0.0451","","0.1243","0.1138","0.1243","","","","","","0.919","","","","has coordinates","201396","2020-10-21","18:00:00",""
"7155897","13.462","0.003","18.842","0.004","13.504","0.003","90","","98.67","0.03","90","","3386.2","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 N6 O8 -","- C30 H52 N6 O8 -","- C120 H208 N24 O32 -","4","1","","Mehr, S. Hessam M.; Oshima, Hiroya; Carta, Veronica; Patrick, Brian O.; White, Nicholas G.; MacLachlan, Mark J.","Tuning the tautomeric behavior of tris(salicylaldimines)","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02058A","","x-ray","0.68879","synchrotron","","0.0696","0.0492","","","0.1236","0.1344","","","","","","1.027","","","","has coordinates,has disorder","201396","2020-10-21","18:00:00",""
"7155898","13.3358","0.0004","8.919","0.0003","19.7702","0.0008","90","","95.598","0.003","90","","2340.29","0.14","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 N2 O5 P -","- C20 H37 N2 O5 P -","- C80 H148 N8 O20 P4 -","4","1","","Audran, Gérard; Bikanga, Raphael; Brémond, Paul; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Nkolo, Paulin; Roubaud, Valérie","How intramolecular hydrogen bonding (IHB) controls the C‒ON bond homolysis in alkoxyamines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02223A","","x-ray","0.71073","MoKα","","0.0852","0.0621","","","0.1501","0.1665","","","","","","1.052","","","","has coordinates","201397","2020-10-21","18:00:00",""
"7155899","14.4884","0.0006","12.0955","0.0004","14.1006","0.0006","90","","108.748","0.005","90","","2339.94","0.17","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 N2 O5 P -","- C20 H37 N2 O5 P -","- C80 H148 N8 O20 P4 -","4","1","","Audran, Gérard; Bikanga, Raphael; Brémond, Paul; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Nkolo, Paulin; Roubaud, Valérie","How intramolecular hydrogen bonding (IHB) controls the C‒ON bond homolysis in alkoxyamines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02223A","","x-ray","0.71073","MoKα","","0.07","0.0489","","","0.1227","0.1359","","","","","","1.035","","","","has coordinates","201397","2020-10-21","18:00:00",""
"7155900","8.4725","0.00015","12.5302","0.0002","12.5601","0.0002","59.3789","0.0007","76.9217","0.0008","68.9074","0.0009","1069.05","0.03","93.1","","93.1","","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H20.5 Cl1.5 N2 O4 -","- C24.5 H20.5 Cl1.5 N2 O4 -","- C49 H41 Cl3 N4 O8 -","2","1","","Luccarelli, James; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Unpicking the determinants of amide NH••O=C hydrogen bond strength with diphenylacetylene molecular balances","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02026K","","","1.54187","CuKα","","","0.0646","","","","0.1663","","","","","","1.034","","","","has coordinates","201398","2020-10-21","18:00:00",""
"7155901","12.0339","0.0012","12.2457","0.0012","8.4183","0.0008","90","","107.164","0.0019","90","","1185.3","0.2","223.1","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C30 H22 N2 O4 -","- C30 H22 N2 O4 -","- C60 H44 N4 O8 -","2","1","","Luccarelli, James; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Unpicking the determinants of amide NH••O=C hydrogen bond strength with diphenylacetylene molecular balances","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02026K","","","0.71075","MoKα","","","0.052","","","","0.1082","","","","","","1.039","","","","has coordinates","201398","2020-10-21","18:00:00",""
"7155902","12.1075","0.0014","12.4511","0.0014","8.6144","0.001","90","","105.293","0.002","90","","1252.7","0.2","223.1","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C31 H24 N2 O5 -","- C31 H24 N2 O5 -","- C62 H48 N4 O10 -","2","1","","Luccarelli, James; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Unpicking the determinants of amide NH••O=C hydrogen bond strength with diphenylacetylene molecular balances","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02026K","","","0.71075","MoKα","","","0.063","","","","0.139","","","","","","1.075","","","","has coordinates","201398","2020-10-21","18:00:00",""
"7155903","10.66","0.004","9.536","0.004","13.873","0.005","90","","107.324","0.007","90","","1346.3","0.9","295","2","295","2","","","","","","","1,3-di-tert-butylpyrimidine-2,4,6(1H,3H,5H)-trione/3-(4-chlorophenyl)-1-(p-tolyl)propan-1-one","5","P 1 21 1","P 2yb","4","1,3-di-tert-butyl-5-(1-(4-chlorophenyl)-3-oxo-3-(p-tolyl)propyl)pyrimidine-2,4,6(1H,3H,5H)-trione","1,3-di-tert-butyl-5-(1-(4-chlorophenyl)-3-oxo-3-(p-tolyl)propyl)pyrimidine-2,4,6(1H,3H,5H)-trione","","- C28 H33 Cl N2 O4 -","- C28 H33 Cl N2 O4 -","- C56 H66 Cl2 N4 O8 -","2","1","","Liu, Ying; Zhang, Yongna; Duan, Hui-Xin; Wanyan, Dong-Yan; Wang, You-Qing","Enantioselective Organocatalytic Michael Additions of N,N'-Dialkylbarbituric Acids to Enones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02116J","","","0.71073","MoKα","","0.085","0.0576","","","0.1078","0.1285","","","","","","1.121","","","","has coordinates","201399","2020-10-21","18:00:00",""
"7155904","19.9398","0.0017","10.9448","0.001","16.3541","0.0014","90","","95.219","0.002","90","","3554.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 F N O2 -","- C25 H16 F N O2 -","- C200 H128 F8 N8 O16 -","8","1","","Jin, Shao-Jing; Guo, Jiao-Mei; Zhu, Yan-Shuo; Wang, Qi-Lin; Bu, Zhanwei","A Copper-Catalyzed Tandem Reaction for the Construction of Coumarin Fused 9H-Pyrrolo[1,2-a]indoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02307C","","","0.71073","MoKα","","0.0715","0.0535","","","0.1276","0.138","","","","","","0.982","","","","has coordinates","201547","2020-10-21","18:00:00",""
"7155905","10.3304","0.0005","11.1679","0.0005","24.5971","0.0012","90","","90","","90","","2837.7","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 Br N O4 -","- C32 H36 Br N O4 -","- C128 H144 Br4 N4 O16 -","4","1","","Li, Wenjun; Zhang, Lili; Liu, Yang; Liu, Kun; Liu, Zhantao; He, Ningning","Asymmetric synthesis of dihydrocoumarins via organocatalytic hetero-Diels-Alder reaction of ortho-quinone methides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02325A","","","0.71073","MoKα","","0.0396","0.0337","","","0.0815","0.0848","","","","","","1.038","","","","has coordinates","201548","2020-10-21","18:00:00",""
"7155906","8.3643","0.0006","11.0918","0.0009","14.0147","0.0011","90","","107.36","","90","","1240.99","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 F3 N O2 -","- C13 H12 F3 N O2 -","- C52 H48 F12 N4 O8 -","4","1","","zou, guanglong; wang, xuelin","Visible-light induced di- and trifluoromethylation of N-methacryloyl benzamides with fluorinated sulfones for the synthesis of CF2H/CF3-containing isoquinolinediones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02226C","","","0.71073","MoKα","","0.1219","0.0967","","","0.2413","0.2635","","","","","","0.982","","","","has coordinates","201585","2020-10-21","18:00:00",""
"7155907","7.9457","0.0007","19.7796","0.0015","8.9411","0.0008","90","","107.13","0.009","90","","1342.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F2 N O3 -","- C14 H15 F2 N O3 -","- C56 H60 F8 N4 O12 -","4","1","","zou, guanglong; wang, xuelin","Visible-light induced di- and trifluoromethylation of N-methacryloyl benzamides with fluorinated sulfones for the synthesis of CF2H/CF3-containing isoquinolinediones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02226C","","","0.71073","MoKα","","0.0794","0.0613","","","0.1443","0.1553","","","","","","1.074","","","","has coordinates","201585","2020-10-21","18:00:00",""
"7155908","13.474","0.002","14.769","0.002","19.43","0.003","86.111","0.005","73.453","0.005","87.487","0.006","3696.6","0.9","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","SubPc dimer","","- C76 H66 B2 N12 Si2 -","- C76 B2 N12 Si2 -","- C152 B4 N24 Si4 -","2","1","","Gotfredsen, Henrik; Broløs, Line; Holmstrøm, Thomas; Sørensen, Jacob; Viñas, Alberto; Kilde, Martin Drøhse; Skov, Anders B.; Santella, Marco; Hammerich, Ole; Nielsen, Mogens Brøndsted","Acetylenic scaffolding with subphthalocyanines ‒ synthetic scope and elucidation of electronic interactions in dimeric structures","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01907F","","","0.71073","MoKα","","0.1102","0.0935","","","0.2717","0.2985","","","","","","0.8395","","","","has coordinates","201586","2020-10-21","18:00:00",""
"7155909","7.004","0.0003","8.8258","0.0004","8.9668","0.0005","100.469","0.004","95.629","0.004","104.054","0.004","522.84","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N O S -","- C11 H13 N O S -","- C22 H26 N2 O2 S2 -","2","1","","Urriolabeitia, Esteban Pablo; Ruiz, Sara; Carrera, Clara; Villuendas, Pedro","Ru-catalysed synthesis of fused heterocycle-pyridinones and -pyrones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01497J","","","0.71073","MoKα","","0.0547","0.0411","","","0.1021","0.1121","","","","","","1.047","","","","has coordinates","201686","2020-10-21","18:00:00",""
"7155910","22.0506","0.0011","10.8562","0.0004","22.7711","0.0009","90","","114.574","0.006","90","","4957.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 N O S -","- C33 H21 N O S -","- C264 H168 N8 O8 S8 -","8","2","","Urriolabeitia, Esteban Pablo; Ruiz, Sara; Carrera, Clara; Villuendas, Pedro","Ru-catalysed synthesis of fused heterocycle-pyridinones and -pyrones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01497J","","","0.71073","MoKα","","0.1554","0.0595","","","0.0973","0.1324","","","","","","1.019","","","","has coordinates","201686","2020-10-21","18:00:00",""
"7155911","14.6413","0.0004","14.6413","0.0004","32.7707","0.0019","90","","90","","90","","7025","0.5","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C9 H9 N O S -","- C9 H9 N O S -","- C288 H288 N32 O32 S32 -","32","2","","Urriolabeitia, Esteban Pablo; Ruiz, Sara; Carrera, Clara; Villuendas, Pedro","Ru-catalysed synthesis of fused heterocycle-pyridinones and -pyrones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01497J","","","0.71073","MoKα","","0.1312","0.0767","","","0.1911","0.225","","","","","","1.024","","","","has coordinates","201686","2020-10-21","18:00:00",""
"7155912","8.5758","0.0002","11.4732","0.0004","11.7346","0.0003","90","","90.065","0.002","90","","1154.59","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O S -","- C12 H15 N O S -","- C48 H60 N4 O4 S4 -","4","1","","Urriolabeitia, Esteban Pablo; Ruiz, Sara; Carrera, Clara; Villuendas, Pedro","Ru-catalysed synthesis of fused heterocycle-pyridinones and -pyrones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01497J","","","0.71073","MoKα","","0.068","0.0486","","","0.1276","0.1431","","","","","","1.048","","","","has coordinates","201686","2020-10-21","18:00:00",""
"7155913","5.6715","0.0002","8.7531","0.0002","10.1807","0.0002","84.071","0.001","82.036","0.001","83.693","0.001","495.5","0.02","100","2","100","2","","","","","","","","4","P 1","P 1","1","","Phenyl 4-hydroxy-3-(3-oxocyclohex-1-en-1-yl)-4-phenyltetrahydrothiophene-2-carboxylate","","- C23 H22 O4 S -","- C23 H22 O4 S -","- C23 H22 O4 S -","1","1","","Przydacz, Artur; Kowalczyk, Rafał; Albrecht, Lukasz","Brønsted-base-catalyzed Remote Cascade Reactivity of 2,4-Dienones - Asymmetric Synthesis of Tetrahydrothiophenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02397A","","","1.54178","CuKα","","0.0379","0.0364","","","0.0893","0.0917","","","","","","1.12","","","","has coordinates,has disorder","201687","2020-10-21","18:00:00",""
"7155914","19.078","0.002","17.996","0.002","20.823","0.003","90","","90","","90","","7149.1","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C43 H40 N4 O4 -","- C43 H40 N4 O4 -","- C344 H320 N32 O32 -","8","1","","Qian, Yu-lun; Xia, Peng-Ju; Li, Jun; Zhao, Qinglan; Xiao, Jun-An; Xiang, Haoyue; Yang, Hua","Diversity-driven and facile 1,3-dipolar cycloaddition to access dispirooxindole-imidazolidine scaffolds","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02319G","","","0.71073","MoKα","","0.1258","0.0531","","","0.1222","0.1495","","","","","","1.007","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155915","10.1477","0.0004","21.6478","0.0008","13.5815","0.0004","90","","94.959","0.002","90","","2972.35","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 N4 O4 -","- C33 H36 N4 O4 -","- C132 H144 N16 O16 -","4","1","","Qian, Yu-lun; Xia, Peng-Ju; Li, Jun; Zhao, Qinglan; Xiao, Jun-An; Xiang, Haoyue; Yang, Hua","Diversity-driven and facile 1,3-dipolar cycloaddition to access dispirooxindole-imidazolidine scaffolds","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02319G","","","0.71073","MoKα","","0.0985","0.0694","","","0.1781","0.1996","","","","","","1.04","","","","has coordinates","201688","2020-10-21","18:00:00",""
"7155916","9.383","0.0006","11.5671","0.0008","11.822","0.0008","82.403","0.005","77.878","0.005","69.245","0.006","1170.72","0.14","295.25","0.11","295.25","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N6 O4 -","- C22 H26 N6 O4 -","- C44 H52 N12 O8 -","2","1","","Liu, Haifeng; Zhu, Tong-Hao; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun","I2/CHP Mediated [1+1+1+1] Cyclization of Aromaticisocyanide with Amine to Construct 1,3-Diazetidine-2,4-diimine Derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02255G","","x-ray","0.71073","MoKα","","0.1284","0.0681","","","0.1772","0.2235","","","","","","1.045","","","","has coordinates,has disorder","201689","2020-10-21","18:00:00",""
"7155917","8.2634","0.001","12.174","0.002","15.232","0.003","88.77","0.03","79.422","0.018","76.323","0.018","1463.2","0.4","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H61 B2 Cl3 F4 N4 S2 -","- C66 H61 B2 Cl3 F4 N4 S2 -","- C66 H61 B2 Cl3 F4 N4 S2 -","1","0.5","","Maeda, Chihiro; Todaka, Takumi; Ueda, Tomomi; Ema, Tadashi","Synthesis of carbazole-based BODIPY dimer showing red fluorescence in the solid state","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02419C","","","1.54187","CuKα","","0.0722","0.0487","","","0.1239","0.1387","","","","","","1.004","","","","has coordinates,has disorder","201908","2020-10-21","18:00:00",""
"7155918","9.6199","0.0015","11.2244","0.0019","24.169","0.004","88.899","0.015","85.634","0.013","83.446","0.012","2585","0.7","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.61 H52 B2 Cl1.23 F4 N6 S4 -","- C56.6035 H52 B2 Cl1.207 F4 N6 S4 -","- C113.207 H104 B4 Cl2.414 F8 N12 S8 -","2","1","","Maeda, Chihiro; Todaka, Takumi; Ueda, Tomomi; Ema, Tadashi","Synthesis of carbazole-based BODIPY dimer showing red fluorescence in the solid state","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02419C","","","1.54187","CuKα","","0.0557","0.052","","","0.1484","0.1517","","","","","","1.024","","","","has coordinates,has disorder","201908","2020-10-21","18:00:00",""
"7155919","13.2852","0.0018","6.7684","0.001","14.0755","0.0019","90","","112.709","0.004","90","","1167.5","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-benzyl-3-((2-(2-nitrobenzoyl)-1H-indol-3-yl)methyl)piperazine-2,5-dione","","- C27 H22 N4 O5 -","- C27 H22 N4 O5 -","- C54 H44 N8 O10 -","2","1","","Sen, Subhabrata; Chauhan, Jyoti; Luthra, Tania; Gundla, Rambabu; Ferraro, Antonio; Holzgrabe, Ulrike","A diversity oriented synthesis of natural product inspired molecular libraries","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02230A","","","0.71073","MoKα","","0.1294","0.0652","","","0.153","0.1898","","","","","","1.073","","","","has coordinates","201909","2020-10-21","18:00:00",""
"7155920","8.962","0.003","9.634","0.005","20.046","0.011","90","","90","","90","","1730.8","1.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl 1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C76 H68 N12 O16 -","4","1","","Sen, Subhabrata; Chauhan, Jyoti; Luthra, Tania; Gundla, Rambabu; Ferraro, Antonio; Holzgrabe, Ulrike","A diversity oriented synthesis of natural product inspired molecular libraries","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02230A","","","0.71073","MoKα","","0.0689","0.0483","","","0.1121","0.1345","","","","","","1.092","","","","has coordinates","201909","2020-10-21","18:00:00",""
"7155921","5.7984","0.0001","7.8542","0.0002","33.8291","0.0008","90","","90","","90","","1540.64","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","benzyl 6-deoxy-2,3-O-(1-methylethylidene)-?-D-mannofuranoside","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Mirabella, Stefania; Fibbi, Giulia; Matassini, Camilla; Faggi, Cristina; Goti, Andrea; Cardona, Francesca","Accessing 2-substituted piperidine iminosugars by organometallic addition/intramolecular reductive amination: aldehyde vs nitrone route","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01848G","","x-ray","1.54178","CuKα","","0.0576","0.0497","","","0.1229","0.1323","","","","","","1.149","","","","has coordinates","201938","2020-10-21","18:00:00",""
"7155922","5.5","0.0002","9.816","0.0003","18.586","0.0006","90","","90","","90","","1003.42","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3R,4S,5R)-3-hydroxy-4,5-O-(1-methylethylidene)-2-methyl-piperidine","","- C9 H17 N O3 -","- C9 H17 N O3 -","- C36 H68 N4 O12 -","4","1","","Mirabella, Stefania; Fibbi, Giulia; Matassini, Camilla; Faggi, Cristina; Goti, Andrea; Cardona, Francesca","Accessing 2-substituted piperidine iminosugars by organometallic addition/intramolecular reductive amination: aldehyde vs nitrone route","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01848G","","x-ray","1.54178","CuKα","","0.0541","0.0384","","","0.0828","0.0882","","","","","","0.984","","","","has coordinates","201938","2020-10-21","18:00:00",""
"7155923","9.6708","0.0008","24.094","0.002","15.4897","0.0014","90","","92.783","0.004","90","","3605","0.5","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30.5 H28.5 Br Cl7.5 N O6 S -","- C30.5 H28.5 Br Cl7.5 N O6 S -","- C122 H114 Br4 Cl30 N4 O24 S4 -","4","2","","Dai, Lu; Hou, Yuxuan; Zhang, Lvye; Chen, Zhangtao; Zeng, Xiaofei; Zhong, Guofu","Construction of Tetrahydropyranoquinoline Derivatives via an Asymmetric Organocatalytic aza-Michael-IED/HAD Cascade Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02231J","","","0.71073","MoKα","","0.0744","0.0576","","","0.1143","0.1217","","","","","","1.07","","","","has coordinates,has disorder","201966","2020-10-21","18:00:00",""
"7155924","11.213","0.0004","13.1574","0.0005","14.6972","0.0004","90","","95.529","0.002","90","","2158.25","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H51 N3 O8 S2 -","- C48 H51 N3 O8 S2 -","- C96 H102 N6 O16 S4 -","2","1","","Dai, Lu; Hou, Yuxuan; Zhang, Lvye; Chen, Zhangtao; Zeng, Xiaofei; Zhong, Guofu","Construction of Tetrahydropyranoquinoline Derivatives via an Asymmetric Organocatalytic aza-Michael-IED/HAD Cascade Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02231J","","","0.71073","MoKα","","0.0711","0.0483","","","0.1202","0.1578","","","","","","1.11","","","","has coordinates","201966","2020-10-21","18:00:00",""
"7155925","7.368","0.003","10.812","0.003","22.597","0.005","90","","95.146","0.017","90","","1792.9","1","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-bromo[2.2]paracyclophan-5-yldiazenyl)morpholine","","- C20 H22 Br N3 O -","- C20 H22 Br N3 O -","- C80 H88 Br4 N12 O4 -","4","1","","Rowlands, Gareth J.; Jayasundera, Krishanthi P.; Engels, Tim G. W.; Lun, David J.; Mungalpara, Maulik N.; Plieger, Paul","The synthesis of planar chiral pseudo-gem aminophosphine pre-ligands based on [2.2]paracyclophane","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02393F","","","1.54187","CuKα","","0.0562","0.0495","","","0.1139","0.1228","","","","","","1.112","","","","has coordinates","201967","2020-10-21","18:00:00",""
"7155926","9.9567","0.0006","26.208","0.002","11.6346","0.0009","90","","109.833","0.008","90","","2855.9","0.4","291.8","0.5","291.8","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F2 O2 -","- C17 H12 F2 O2 -","- C136 H96 F16 O16 -","8","2","","Zhu, Mei; Fu, Weijun; Wang, Zhiqiang; Xu, Chen; Ji, Baoming","Visible-light-mediated direct difluoromethylation of alkynoates: Synthesis of 3-difluoromethylated coumarins","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02366A","","x-ray","0.71073","MoKα","","0.106","0.0663","","","0.1567","0.1711","","","","","","1.048","","","","has coordinates","201968","2020-10-21","18:00:00",""
"7155927","7.6418","0.0004","9.229","0.0005","16.4366","0.001","96.591","0.002","93.902","0.002","105.608","0.002","1103.14","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C52 H36 Br4 N8 -","4","2","","Liu, Yun; Wang, Wenhui; Han, Junwen; Sun, Jinwei Wei","Cu(II)-promoted Tandem Decarboxylative Halogenation and Oxidative Diamination Reaction of 2-Aminopyridines with Alkynoic Acids for the Synthesis of 2-Haloimidazo[1,2-a]pyridines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02014G","","","0.71073","MoKα","","0.0485","0.0335","","","0.0736","0.0773","","","","","","1.032","","","","has coordinates","202094","2020-10-21","18:00:00",""
"7155928","8.1396","0.0011","9.5365","0.0013","13.2564","0.0018","108.241","0.002","99.899","0.002","103.051","0.002","918.7","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 F N2 O3 -","- C23 H15 F N2 O3 -","- C46 H30 F2 N4 O6 -","2","1","","Malapaka, Chandrasekharam; Botla, Vinayak; Navyasree, Pilli","Iron (III)-catalyzed chelation assisted remote C-H bond oxygenation of 8-amidoquinolines.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02159C","","","0.71073","MoKα","","0.0778","0.0586","","","0.129","0.1385","","","","","","1.095","","","","has coordinates","202095","2020-10-21","18:00:00",""
"7155929","6.2656","0.0006","6.3728","0.0004","11.8196","0.0012","90","","100.172","0.007","90","","464.53","0.07","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,8‒Dibromo‒4,8‒difluorotricyclo[5.1.0.0^3,5^]octane","","- C8 H8 Br2 F2 -","- C8 H8 Br2 F2 -","- C16 H16 Br4 F4 -","2","0.5","","Sedenkova, Kseniya N.; Averina, Elena B.; Grishin, Y K.; Kolodjashnaja, Julia V.; Rybakov, Victor B.; Kuznetsova, Tamara S.; Hughes, Audrey; Gomes, Gabriel dos Passos; Alabugin, Igor; Zefirov, Nikolay S.","Substituent effects on stereoselectivity of dihalocarbene reactions with cyclohexadiene and on the reactivity of bis-dihalocyclopropanes in electrophilic nitrations on route to pyrimidine N-oxides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02463K","","","0.71073","MoKα","","0.0778","0.0615","","","0.14","0.1463","","","","","","0.938","","","","has coordinates","202096","2020-10-21","18:00:00",""
"7155930","10.8476","0.0003","17.322","0.0004","37.2345","0.0009","90","","90","","90","","6996.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 N5 O8 -","- C38 H41 N5 O8 -","- C304 H328 N40 O64 -","8","2","","Kicsák, Máté; Mándi, Attila; Varga, Szabolcs; Herczeg, Mihály; Batta, Gyula; Bényei, Attila; Borbás, Anikó; Herczegh, Pál","Tricyclanos: conformationally constrained nucleoside analogues with a new heterotricycle obtained from a d-ribofuranose unit.","Organic & biomolecular chemistry","2018","16","3","393","401","10.1039/c7ob02296d","","","1.54184","CuKα","","0.0862","0.0669","","","","0.1861","","","","","","1.046","","","","has coordinates","230883","2020-10-21","18:00:00",""
"7155931","6.1907","0.0001","15.2739","0.0003","17.2701","0.0003","90","","90","","90","","1632.99","0.05","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br2 N O2 -","- C17 H15 Br2 N O2 -","- C68 H60 Br8 N4 O8 -","4","1","","Jiang, Hua-Jie; Liu, Kun; Wang, Jing; Li, Na; Yu, Jie","Brønsted Acids of Anionic Chiral Co(III) Complexes as Catalysts for the Stereoselective Synthesis of cis-4-Aminofuranobenzopyrans","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02452E","","","1.54184","CuKα","","0.0472","0.0466","","","0.1233","0.1244","","","","","","1.059","","","","has coordinates","202146","2020-10-21","18:00:00",""
"7155932","27.2206","0.0007","8.3665","0.0002","13.1113","0.0003","90","","114.033","0.001","90","","2727.13","0.12","150","2","150","2","","","","","","","synthesized by the authors","6","C 1 2 1","C 2y","5","","","","- C27 H26 F N3 O7 S -","- C27 H26 F N3 O7 S -","- C108 H104 F4 N12 O28 S4 -","4","1","","Urban, Michal; Franc, Michael; Hofmanova, Marketa; Cisarova, Ivana; Vesely, Jan","The Enantioselective Addition of 1-Fluoro-1-nitro(phenylsulfonyl)methane to Isatin-Derived Ketimines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02408H","","","1.54178","CuKα","","0.0262","0.0258","","","0.0674","0.0677","","","","","","1.041","","","","has coordinates","202171","2020-10-21","18:00:00",""
"7155933","7.4367","0.0005","11.0255","0.0008","13.3188","0.0009","90","","90","","90","","1092.05","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Liu, Shuai; Zu, Weisai; Zhang, Jinli; Xu, Liang","Chemoselective N-arylation of Aminobenzamides via Copper Catalysed Chan−Evans−Lam Reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02491F","","","0.71073","MoKα","","0.0454","0.0363","","","0.0931","0.1019","","","","","","0.832","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7155934","8.683","0.00016","10.2079","0.0002","27.0713","0.0006","90","","90","","90","","2399.47","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Cu(DPA-Ph)(H2O)(OTf)](OTf)","","","- C20 H19 Cu F6 N3 O7 S2 -","- C20 H19 Cu F6 N3 O7 S2 -","- C80 H76 Cu4 F24 N12 O28 S8 -","4","1","","Wang, Yang; Liu, Haixiong; Zhang, Xiaofeng; Zhang, Zilong; Huang, Deguang","Experimental and mechanistic insights into copper(ii)‒dioxygen catalyzed oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine and its derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02192E","","","1.54184","CuKα","","0.0251","0.0232","","","0.0589","0.0602","","","","","","1.033","","","","has coordinates","202265","2020-10-21","18:00:00",""
"7155935","10.0986","0.0012","13.5819","0.0014","15.2704","0.0016","68.475","0.01","72.79","0.01","73.322","0.01","1823.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cu(DPA-Ph)(PyCH2NHCH2Ph)(OTf)](OTf)","","","- C33 H31 Cu F6 N5 O6 S2 -","- C33 H31 Cu F6 N5 O6 S2 -","- C66 H62 Cu2 F12 N10 O12 S4 -","2","1","","Wang, Yang; Liu, Haixiong; Zhang, Xiaofeng; Zhang, Zilong; Huang, Deguang","Experimental and mechanistic insights into copper(ii)‒dioxygen catalyzed oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine and its derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02192E","","","1.54184","CuKα","","0.1586","0.1146","","","0.3084","0.322","","","","","","1.096","","","","has coordinates,has disorder","202265","2020-10-21","18:00:00",""
"7155936","10.1705","0.0004","12.0872","0.0004","14.4087","0.0006","93.643","0.003","110.216","0.004","95.074","0.003","1647.26","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cu(DPA-Me)2](OTf)2","","","- C28 H30 Cu F6 N6 O6 S2 -","- C28 H30 Cu F6 N6 O6 S2 -","- C56 H60 Cu2 F12 N12 O12 S4 -","2","1","","Wang, Yang; Liu, Haixiong; Zhang, Xiaofeng; Zhang, Zilong; Huang, Deguang","Experimental and mechanistic insights into copper(ii)‒dioxygen catalyzed oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine and its derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02192E","","","1.54184","CuKα","","0.0629","0.0581","","","0.1854","0.1872","","","","","","1.144","","","","has coordinates","202265","2020-10-21","18:00:00",""
"7155937","13.4993","0.0003","8.9437","0.0002","20.9454","0.0005","90","","100.521","0.002","90","","2486.3","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Cu(DPA-Ph)(PyCOO)](OTf)","","","- C25 H21 Cu F3 N4 O5 S -","- C25 H21 Cu F3 N4 O5 S -","- C100 H84 Cu4 F12 N16 O20 S4 -","4","1","","Wang, Yang; Liu, Haixiong; Zhang, Xiaofeng; Zhang, Zilong; Huang, Deguang","Experimental and mechanistic insights into copper(ii)‒dioxygen catalyzed oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine and its derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02192E","","","1.54184","CuKα","","0.0609","0.0477","","","0.1274","0.136","","","","","","1.062","","","","has coordinates","202265","2020-10-21","18:00:00",""
"7155938","8.9816","0.0004","10.9461","0.0004","16.4679","0.0009","81.55","0.004","77.177","0.004","87.632","0.003","1561.44","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cu(DPA-Ph)(PyCH2NHCH3)(OTf)](OTf)","","","- C27 H27 Cu F6 N5 O6 S2 -","- C27 H27 Cu F6 N5 O6 S2 -","- C54 H54 Cu2 F12 N10 O12 S4 -","2","1","","Wang, Yang; Liu, Haixiong; Zhang, Xiaofeng; Zhang, Zilong; Huang, Deguang","Experimental and mechanistic insights into copper(ii)‒dioxygen catalyzed oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine and its derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02192E","","","1.54184","CuKα","","0.0521","0.0433","","","0.1125","0.1168","","","","","","1.096","","","","has coordinates","202265","2020-10-21","18:00:00",""
"7155939","18.9625","0.001","8.7607","0.0005","19.5836","0.001","90","","90","","90","","3253.3","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C160 H120 N24 O16 -","8","2","","Li, Wenjun; Yuan, Huijun; Gao, Hua; Liu, Kun; Liu, Zhantao; Wang, Jian","Cycloadduct formation of α,β-unsaturated ester with azide catalyzed by NHC systems","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02469J","","","0.71073","MoKα","","0.125","0.1052","","","0.2594","0.2808","","","","","","1.077","","","","has coordinates","202266","2020-10-21","18:00:00",""
"7155940","9.6369","0.001","12.1697","0.0013","12.3161","0.0012","86.914","0.003","73.831","0.003","85.494","0.003","1382.2","0.2","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 N2 O3 -","- C36 H32 N2 O3 -","- C72 H64 N4 O6 -","2","1","","Liu, Rai-Shung; Sharma, Pankaj; Jadhav, Prakash Daulat; Skaria, Manisha","Stereoselective annulation between an allene, an alkene, and two nitrosoarenes to access bis(isoxazoliodine) derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02087B","","","0.71073","MoKα","","0.0479","0.0371","","","0.0856","0.0916","","","","","","1.038","","","","has coordinates","202344","2020-10-21","18:00:00",""
"7155941","9.214","0.0003","10.224","0.0003","14.5971","0.0005","100.117","0.001","95.021","0.001","94.031","0.001","1343.37","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C64 H60 N4 O8 -","2","1","","Liu, Rai-Shung; Sharma, Pankaj; Jadhav, Prakash Daulat; Skaria, Manisha","Stereoselective annulation between an allene, an alkene, and two nitrosoarenes to access bis(isoxazoliodine) derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02087B","","","0.71073","MoKα","","0.0487","0.0385","","","0.0898","0.098","","","","","","1.001","","","","has coordinates","202344","2020-10-21","18:00:00",""
"7155942","13.7372","0.001","7.3706","0.0005","19.7024","0.0014","90","","106.653","0.004","90","","1911.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C96 H88 N8 O8 -","4","1","","Liu, Rai-Shung; Sharma, Pankaj; Jadhav, Prakash Daulat; Skaria, Manisha","Stereoselective annulation between an allene, an alkene, and two nitrosoarenes to access bis(isoxazoliodine) derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02087B","","","0.71073","MoKα","","0.1143","0.0607","","","0.1533","0.1968","","","","","","1.086","","","","has coordinates,has disorder","202344","2020-10-21","18:00:00",""
"7155943","24.087","0.003","9.7374","0.0011","23.807","0.003","90","","107.805","0.004","90","","5316.4","1.1","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H32 N2 O4 -","- C31 H32 N2 O4 -","- C248 H256 N16 O32 -","8","1","","Liu, Rai-Shung; Sharma, Pankaj; Jadhav, Prakash Daulat; Skaria, Manisha","Stereoselective annulation between an allene, an alkene, and two nitrosoarenes to access bis(isoxazoliodine) derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02087B","","","0.71073","MoKα","","0.1157","0.0567","","","0.1343","0.1691","","","","","","1.078","","","","has coordinates","202344","2020-10-21","18:00:00",""
"7155944","9.8521","0.0003","10.1991","0.0004","16.8567","0.0006","99.88","0.003","95.857","0.003","116.117","0.003","1467.8","0.1","290.81","0.1","290.81","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C40 H37 N -","- C40 H37 N -","- C80 H74 N2 -","2","1","","Ferguson, Jayne L.; Squire, Marie A.; Fitchett, Christopher M.","Photochemical and oxidative cyclisation of tetraphenylpyrroles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02537H","","","1.54184","CuKα","","0.0446","0.0407","","","0.1072","0.1105","","","","","","1.02","","","","has coordinates,has disorder","202345","2020-10-21","18:00:00",""
"7155945","9.9632","0.0003","11.2079","0.0003","11.9471","0.0004","64.541","0.002","74.712","0.002","75.154","0.002","1146.17","0.06","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H17 Cl4 N -","- C30 H17 Cl4 N -","- C60 H34 Cl8 N2 -","2","1","","Ferguson, Jayne L.; Squire, Marie A.; Fitchett, Christopher M.","Photochemical and oxidative cyclisation of tetraphenylpyrroles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02537H","","","0.71073","MoKα","","0.0731","0.0391","","","0.0923","0.1095","","","","","","1.017","","","","has coordinates","202345","2020-10-21","18:00:00",""
"7155946","10.1062","0.0002","13.119","0.0003","18.1079","0.0004","90","","97.158","0.002","90","","2382.09","0.09","287.84","0.1","287.84","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 N -","- C35 H25 N -","- C140 H100 N4 -","4","1","","Ferguson, Jayne L.; Squire, Marie A.; Fitchett, Christopher M.","Photochemical and oxidative cyclisation of tetraphenylpyrroles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02537H","","","1.54184","CuKα","","0.0548","0.0418","","","0.1039","0.1131","","","","","","1.038","","","","has coordinates","202345","2020-10-21","18:00:00",""
"7155947","10.2655","0.0005","11.633","0.0005","12.7175","0.0006","109.469","0.004","101.265","0.004","91.218","0.004","1398.14","0.12","120","0.1","120","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C39 H33 N -","- C39 H33 N -","- C78 H66 N2 -","2","1","","Ferguson, Jayne L.; Squire, Marie A.; Fitchett, Christopher M.","Photochemical and oxidative cyclisation of tetraphenylpyrroles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02537H","","","1.54184","CuKα","","0.0515","0.0441","","","0.1146","0.1214","","","","","","1.04","","","","has coordinates","202345","2020-10-21","18:00:00",""
"7155948","5.95712","0.00011","24.7533","0.0005","22.292","0.0004","90","","94.0305","0.0017","90","","3279.01","0.11","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 N -","- C45 H39 N -","- C180 H156 N4 -","4","1","","Ferguson, Jayne L.; Squire, Marie A.; Fitchett, Christopher M.","Photochemical and oxidative cyclisation of tetraphenylpyrroles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02537H","","","1.54184","CuKα","","0.0668","0.0599","","","0.148","0.1537","","","","","","1.042","","","","has coordinates","202345","2020-10-21","18:00:00",""
"7155949","11.5591","0.0009","13.2129","0.0011","12.0726","0.001","90","","90.884","0.001","90","","1843.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10.25 Cl5.88 D0.88 N O3 -","- C15 H10.248 Cl5.876 D0.876 N O3 -","- C60 H40.992 Cl23.504 D3.504 N4 O12 -","4","1","","Rajale, Trideep; Sharma, Shikha; Unruh, Daniel K.; Stroud, Daniel A.; Birney, David M.","A pseudopericyclic [3,5]-sigmatropic rearrangement of a coumarin trichloroacetimidate derivative.","Organic & biomolecular chemistry","2018","16","6","874","879","10.1039/c7ob02335a","","","0.71073","MoKα","","0.0334","0.0279","","","0.0699","0.0731","","","","","","1.034","","","","has coordinates,has disorder","230721","2020-10-21","18:00:00",""
"7155950","13.379","0.005","9.939","0.003","15.142","0.005","90","","91.1","0.008","90","","2013.1","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N O -","- C27 H25 N O -","- C108 H100 N4 O4 -","4","1","","Shi, Min; Wei, Yin; Zhang, Xiao-Yu","Copper(I)-catalyzed carbocyclization of acrylamide-tethered alkylidenecyclopropanes with diaryliodonium salts","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02502E","","","0.71073","MoKα","","0.0757","0.053","","","0.122","0.1342","","","","","","1.031","","","","has coordinates","202398","2020-10-21","18:00:00",""
"7155951","9.1032","0.0015","14.843","0.002","19.069","0.003","94.1","0.004","101.55","0.004","104.178","0.003","2427.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H27 N O -","- C32 H27 N O -","- C128 H108 N4 O4 -","4","2","","Shi, Min; Wei, Yin; Zhang, Xiao-Yu","Copper(I)-catalyzed carbocyclization of acrylamide-tethered alkylidenecyclopropanes with diaryliodonium salts","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02502E","","","0.71073","MoKα","","0.1052","0.0641","","","0.1494","0.1722","","","","","","1.009","","","","has coordinates","202398","2020-10-21","18:00:00",""
"7155952","9.6623","0.0018","15.496","0.003","16.311","0.003","83.237","0.003","82.104","0.003","76.194","0.003","2340","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H27 N4 O -","- C29 H27 N4 O -","- C116 H108 N16 O4 -","4","2","","Subbarayappa, Adimurthy; Samanta, Supravat; Ravi, Chitrakar; Sadu, Nageswararao; Joshi, Abhisek","Visible- Light-Promoted Selective C‒H Amination of Heteroarenes with Heteroaromatic Amines under Metal-Free Conditions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02504A","","","0.71073","MoKα","","0.094","0.0775","","","0.2181","0.2342","","","","","","1.023","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155953","35.4337","0.0015","35.4337","0.0015","9.6326","0.0004","90","","90","","120","","10473.9","0.8","109.6","","109.6","","","","","","","","","4","R -3","-R 3","148","6H,8H-pyrimido[2,1-a:4,3-a']diisoquinoline-6-thione","","","- C28.33 H30 N2 S -","- C28.3333 H30 N2 S -","- C510 H540 N36 S18 -","18","","","He, Wei; Zhuang, Junpeng; Du, Hongguang; Yang, Zhanhui; Xu, Jiaxi","Stereochemistry and mechanistic insights in the [2t + 2i + 2i] annulations of thioketenes and imines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02212C","","","0.7107","MoKα","","0.0575","0.0465","","","0.106","0.1125","","","","","","1.051","","","","has coordinates,has disorder","202400","2020-10-21","18:00:00",""
"7155954","37.951","0.003","24.115","0.002","9.5003","0.0006","90","","90","","90","","8694.6","1.1","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C27 H21 N O3 -","- C27 H21 N O3 -","- C432 H336 N16 O48 -","16","1","","Chaudhari, Tohasib Yusub; Ginotra, Sandeep K.; Tandon, Vibha","Facile access to functionalized indenes and fused quinolines by regioselective 5-enolexo-dig Michael addition and cyclization reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02498C","","","0.71073","MoKα","","0.0947","0.066","","","0.1385","0.1609","","","","","","1.031","","","","has coordinates","202469","2020-10-21","18:00:00",""
"7155955","8.6045","0.0003","21.7424","0.0007","10.3736","0.0004","90","","109.45","0.004","90","","1829.97","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 O3 P -","- C22 H17 O3 P -","- C88 H68 O12 P4 -","4","1","","Li, Qingrui; Zhao, Xiuli; Li, Yabo; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","Regioselective Phosphinylation of Coumarins under Green LED Irradiation and Mechanism Study","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02478A","","x-ray","1.54184","CuKα","","0.0531","0.0432","","","0.1132","0.1228","","","","","","1.037","","","","has coordinates,has disorder","202470","2020-10-21","18:00:00",""
"7155956","8.9064","0.0008","11.4166","0.0009","12.9485","0.0012","108.992","0.005","90.76","0.005","104.392","0.005","1199.49","0.19","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 Cl3 N3 -","- C24 H14 Cl3 N3 -","- C48 H28 Cl6 N6 -","2","1","","Liu, Liangxian; Huang, Panpan; Peng, Xiangjun; Hu, Dan; Liao, Huiwu; Tang, Shaobin","Regioselective synthesis of 2,3′-biindoles mediated by an NBS-induced homo-coupling of indoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02312J","","","0.71073","MoKα","","0.12","0.0813","","","0.2677","0.2951","","","","","","1.106","","","","has coordinates","202471","2020-10-21","18:00:00",""
"7155957","7.1025","0.0004","17.9372","0.0015","11.9529","0.0009","90","","90","","90","","1522.79","0.19","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(2-(2,4-dioxo-2H-benzo[d][1,3]oxazin-1(4H)-yl)ethyl)-N,N-dimethylethynaminium bromide","","- C15 H17 Br N2 O3 -","- C15 H17 Br N2 O3 -","- C60 H68 Br4 N8 O12 -","4","1","","Fessler, Adam B.; Garmon, Corey B.; Heavey, Thomas; Fowler, Anthony John; Ogle, Craig","Water-soluble and UV traceable isatoic anhydride-based reagents for bioconjugation","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02377D","","","1.54184","CuKα","","0.064","0.0469","","","0.1055","0.117","","","","","","1.061","","","","has coordinates","202886","2020-10-21","18:00:00",""
"7155958","5.732","0.005","9.388","0.005","14.303","0.005","92.462","0.005","94.667","0.005","104.905","0.005","739.7","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C40 H32 O4 -","2","1","","Dhevalapally, Ramachary Buchi; T., Prabhakar Reddy; Adaveni, Suresh Kumar","Organocatalytic umpolung annulative dimerization of ynones for the synthesis of 5-alkylidene-2-cyclopentenones","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02424J","","","0.71073","MoKα","","0.1555","0.0752","","","0.1742","0.2168","","","","","","0.999","","","","has coordinates","202946","2020-10-21","18:00:00",""
"7155959","8.3805","0.0007","8.9419","0.0008","9.0849","0.0007","103.317","0.003","107.305","0.003","98.863","0.004","614.08","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N6 O -","- C12 H14 N6 O -","- C24 H28 N12 O2 -","2","1","","Frongia, Angelo; Aitken, David J.; Boddaert, Thomas; Ghisu, Lorenza; Arca, Massimiliano; Secci, Francesco; Caboni, P.; Guillot, Régis; Melis, Nicola","Synthesis of 2,2-bis(pyridin-2-yl amino)cyclobutanols and their conversion into 5-(pyridin-2-ylamino)dihydrofuran-2(3H)-ones","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02567J","","","0.71073","MoKα","","0.153","0.0458","","","0.0671","0.077","","","","","","0.869","","","","has coordinates","202996","2020-10-21","18:00:00",""
"7155960","15.2929","0.0005","4.803","0.0001","17.5928","0.0006","90","","92.928","0.002","90","","1290.54","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl2 N2 -","- C15 H10 Cl2 N2 -","- C60 H40 Cl8 N8 -","4","1","","Aegurla, Balakrishna; Peddinti, Rama Krishna","The diaza-Nazarov cyclization involving a 2,3-diaza-pentadienyl cation for the synthesis of polysubstituted pyrazoles","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB01949A","","","0.71073","MoKα","","0.0429","0.0282","","","0.0733","0.0884","","","","","","0.817","","","","has coordinates","202997","2020-10-21","18:00:00",""
"7155961","6.8629","0.0008","13.3106","0.0007","17.3781","0.0011","107.076","0.005","91.166","0.007","91.431","0.007","1516.4","0.2","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H52 N6 O3 -","- C30 H52 N6 O3 -","- C60 H104 N12 O6 -","2","1","","Rayavarapu, Suresh; Kheria, Sanjeev; Shinde, Dinesh R.; Gonnade, Rajesh G.; Sanjayan, G. J.","A Modular Approach Towards Functionalized Highly Stable Self-complementary Quadruple Hydrogen Bonded Systems","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02358H","","","0.71073","MoKα","","0.1738","0.0933","","","0.224","0.2848","","","","","","1.037","","","","has coordinates,has disorder","203032","2020-10-21","18:00:00",""
"7155962","8.5829","0.0013","9.4082","0.0014","19.835","0.003","91.627","0.004","102.132","0.004","101.559","0.005","1530","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H52 N6 O6 -","- C27 H52 N6 O6 -","- C54 H104 N12 O12 -","2","1","","Rayavarapu, Suresh; Kheria, Sanjeev; Shinde, Dinesh R.; Gonnade, Rajesh G.; Sanjayan, G. J.","A Modular Approach Towards Functionalized Highly Stable Self-complementary Quadruple Hydrogen Bonded Systems","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02358H","","","0.71073","MoKα","","0.1043","0.0798","","","0.1639","0.1742","","","","","","1.164","","","","has coordinates,has disorder","203032","2020-10-21","18:00:00",""
"7155963","9.3827","0.0004","11.1","0.0006","16.5626","0.0009","73.523","0.002","84.484","0.002","73.317","0.002","1584.29","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H42 Cl2 N6 O3 -","- C31 H42 Cl2 N6 O3 -","- C62 H84 Cl4 N12 O6 -","2","1","","Rayavarapu, Suresh; Kheria, Sanjeev; Shinde, Dinesh R.; Gonnade, Rajesh G.; Sanjayan, G. J.","A Modular Approach Towards Functionalized Highly Stable Self-complementary Quadruple Hydrogen Bonded Systems","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02358H","","","0.71073","MoKα","","0.0866","0.0674","","","0.167","0.181","","","","","","1.028","","","","has coordinates","203032","2020-10-21","18:00:00",""
"7155964","8.7851","0.0018","10.557","0.002","13.269","0.003","100.21","0.03","97.69","0.03","111.07","0.03","1103.7","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N3 O3 -","- C25 H31 N3 O3 -","- C50 H62 N6 O6 -","2","1","","Shiri, Morteza; Ranjbar, Maryam; Yasaei, Zahra; Zamanian, Fatemeh; Notash, Behrouz","Palladium-catalyzed tandem reaction of 2-chloroquinoline-3-carbaldehydes and isocyanides","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02043K","","","0.71073","MoKα","","0.2494","0.0818","","","0.1272","0.1729","","","","","","0.814","","","","has coordinates","203033","2020-10-21","18:00:00",""
"7155965","15.937","0.003","8.9523","0.0018","12.934","0.003","90","","112.46","0.03","90","","1705.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Shiri, Morteza; Ranjbar, Maryam; Yasaei, Zahra; Zamanian, Fatemeh; Notash, Behrouz","Palladium-catalyzed tandem reaction of 2-chloroquinoline-3-carbaldehydes and isocyanides","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02043K","","","0.71073","MoKα","","0.0866","0.0476","","","0.1072","0.1175","","","","","","0.858","","","","has coordinates","203033","2020-10-21","18:00:00",""
"7155966","6.531","0.003","8.903","0.005","13.722","0.007","101.653","0.009","93.785","0.01","103.989","0.01","752.7","0.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Cl2 N3 O2 -","- C14 H15 Cl2 N3 O2 -","- C28 H30 Cl4 N6 O4 -","2","1","","Singh, Ravi Prakash; Tripathi, Krishna Nand; Ray, Devalina","Pd-Catalyzed Regioselective Intramolecular Dehydrogenative C-5 Cross Coupling in an N-substituted Pyrrole-Azole System","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02676E","","","0.71073","MoKα","","0.0649","0.0518","","","0.1499","0.1708","","","","","","1.079","","","","has coordinates","203034","2020-10-21","18:00:00",""
"7155967","8.2526","0.0002","8.2526","0.0002","60.866","0.003","90","","90","","90","","4145.3","0.2","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H28 N2 O7 -","- C19 H28 N2 O7 -","- C152 H224 N16 O56 -","8","1","","Chiu, Din-Chi; Lin, Tzu-Chen; Huang, Wen-I; Cheng, Ting-Jen R.; Tsai, Keng-Chang; Fang, Jim-Min","Peramivir analogues bearing hydrophilic side chains exhibit higher activities against H275Y mutant than wild-type influenza virus","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02374J","","","1.54178","CuKα","","0.0819","0.075","","","0.2042","0.2107","","","","","","1.088","","","","has coordinates","203035","2020-10-21","18:00:00",""
"7155968","6.0765","0.0002","9.6451","0.0004","11.0698","0.0004","89.902","0.003","75.421","0.003","76.398","0.004","609.14","0.04","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H32 N2 O7 -","- C25 H32 N2 O7 -","- C25 H32 N2 O7 -","1","1","","Chiu, Din-Chi; Lin, Tzu-Chen; Huang, Wen-I; Cheng, Ting-Jen R.; Tsai, Keng-Chang; Fang, Jim-Min","Peramivir analogues bearing hydrophilic side chains exhibit higher activities against H275Y mutant than wild-type influenza virus","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02374J","","","1.54178","CuKα","","0.0361","0.0342","","","0.0903","0.0932","","","","","","1.032","","","","has coordinates","203035","2020-10-21","18:00:00",""
"7155969","10.3732","0.0004","16.8818","0.0004","35.8766","0.0011","90","","90","","90","","6282.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N2 O10 -","- C30 H44 N2 O10 -","- C240 H352 N16 O80 -","8","2","","Chiu, Din-Chi; Lin, Tzu-Chen; Huang, Wen-I; Cheng, Ting-Jen R.; Tsai, Keng-Chang; Fang, Jim-Min","Peramivir analogues bearing hydrophilic side chains exhibit higher activities against H275Y mutant than wild-type influenza virus","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02374J","","","1.54178","CuKα","","0.1223","0.0798","","","0.212","0.2541","","","","","","1.175","","","","has coordinates","203035","2020-10-21","18:00:00",""
"7155970","19.2545","0.0011","15.5146","0.001","13.4314","0.0009","90","","90","","90","","4012.3","0.4","100","1","100","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C192 H176 N16 O32 -","8","1","","Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo; Arca, Massimiliano; Sarais, Giorgia; Luridiana, Alberto; Martis, Alberto","Acid-Catalyzed Reaction of 2-Hydroxycyclobutanone with Benzylic Alcohols","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02545A","","","0.71073","MoKα","","0.1268","0.058","","","0.1431","0.1918","","","","","","1.019","","","","has coordinates","203100","2020-10-21","18:00:00",""
"7155971","8.1745","0.0005","10.1237","0.0006","20.5314","0.0012","90","","90","","90","","1699.1","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 F3 N O2 S -","- C15 H22 F3 N O2 S -","- C60 H88 F12 N4 O8 S4 -","4","1","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0312","0.0298","","","0.0751","0.076","","","","","","1.056","","","","has coordinates","203101","2020-10-21","18:00:00",""
"7155972","7.535","0.005","10.972","0.005","9.93","0.005","90","0.005","99.961","0.005","90","0.005","808.6","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H22 F3 N O3 S -","- C12 H22 F3 N O3 S -","- C24 H44 F6 N2 O6 S2 -","2","1","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0238","0.0234","","","0.0626","0.0628","","","","","","1.075","","","","has coordinates","203101","2020-10-21","18:00:00",""
"7155973","9.6709","0.0005","9.6709","0.0005","12.3901","0.0006","90","","90","","120","","1003.55","0.09","101","2","101","2","","","","","","","","6","P 31","P 31","144","","","","- C10 H18 F3 N O S -","- C10 H18 F3 N O S -","- C30 H54 F9 N3 O3 S3 -","3","1","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0302","0.0283","","","0.0686","0.0699","","","","","","1.065","","","","has coordinates","203101","2020-10-21","18:00:00",""
"7155974","9.071","0.005","16.862","0.005","19.003","0.005","90","0.005","90","0.005","90","0.005","2907","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 F3 N O S -","- C11 H22 F3 N O S -","- C88 H176 F24 N8 O8 S8 -","8","2","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0246","0.0231","","","0.0594","0.0601","","","","","","1.05","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155975","11.039","0.005","12.316","0.005","21.359","0.005","90","0.005","90","0.005","90","0.005","2903.9","1.9","101","2","101","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 F3 N O2 S -","- C11 H20 F3 N O2 S -","- C88 H160 F24 N8 O16 S8 -","8","2","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0539","0.0479","","","0.113","0.1171","","","","","","1.063","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155976","9.212","0.005","9.456","0.005","10.583","0.005","90","0.005","112.258","0.005","90","0.005","853.2","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F3 N O2 S -","- C16 H24 F3 N O2 S -","- C32 H48 F6 N2 O4 S2 -","2","1","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0206","0.0204","","","0.0552","0.0553","","","","","","0.92","","","","has coordinates","203101","2020-10-21","18:00:00",""
"7155977","13.9254","0.0013","17.3264","0.0016","11.0023","0.001","90","","100.865","0.002","90","","2607","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C112 H128 O32 -","8","2","","Si, Tengda; Li, Bowen; Xiong, Wenrui; Xu, Bin; Tang, Wenjun","Efficient Cross-Coupling of Aryl/Alkenyl Triflates with Acyclic Secondary Alkylboronic Acids","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02531A","","","0.71073","MoKα","","0.0728","0.0454","","","0.1172","0.1323","","","","","","1.029","","","","has coordinates","203144","2020-10-21","18:00:00",""
"7155978","7.9929","0.0004","9.2895","0.0005","54.987","0.004","90","","90","","90","","4082.8","0.4","100","0.1","100","0.1","","","","","","","Physalis pubescens","3","P 21 21 21","P 2ac 2ab","19","","Withapubeside A","","- C41 H67 O16 -","- C41 H67 O16 -","- C164 H268 O64 -","4","1","","Xia, Guiyang; Yao, Tie; Zhang, Bing-Yang; Li, Yang; Kang, Ning; Cao, Shijie; Ding, Liqin; Chen, Lixia; Qiu, Feng","Withapubesides A‒D, natural inducible nitric oxide synthase (iNOS) inhibitors from Physalis pubescens","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02551C","","x-ray","1.54184","CuKα","","0.0876","0.0756","","","0.1749","0.1829","","","","","","1.077","","","","has coordinates,has disorder","203145","2020-10-21","18:00:00",""
"7155979","8.5061","0.0002","15.9215","0.0004","9.6417","0.0002","90","","90","","90","","1305.77","0.05","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N O3 -","- C6 H9 N O3 -","- C48 H72 N8 O24 -","8","2","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0404","0.036","","","0.0952","0.0977","","","","","","1.081","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155980","7.3112","0.0002","12.3133","0.0003","13.9596","0.0003","90","","90","","90","","1256.71","0.05","130.01","0.1","130.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C52 H48 N8 O24 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0467","0.0379","","","0.1008","0.1077","","","","","","1.083","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155981","11.6567","0.0005","12.4748","0.0005","17.6511","0.0006","90","","98.457","0.004","90","","2538.83","0.17","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C104 H96 N16 O48 -","8","4","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0707","0.0496","","","0.1125","0.124","","","","","","1.036","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155982","5.9489","0.0001","8.1059","0.0001","22.3033","0.0004","90","","90","","90","","1075.49","0.03","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","1.54184","CuKα","","0.0287","0.0285","","","0.0715","0.0716","","","","","","1.05","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155983","6.7738","0.0002","11.4773","0.0003","14.8982","0.0004","90","","90","","90","","1158.26","0.06","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","1.54184","CuKα","","0.033","0.0298","","","0.0759","0.0795","","","","","","1.068","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155984","19.6367","0.0008","6.268","0.0002","20.8548","0.0012","90","","99.68","0.004","90","","2530.3","0.2","130","0.1","130","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H14 Br N O3 -","- C13 H14 Br N O3 -","- C104 H112 Br8 N8 O24 -","8","2","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0722","0.047","","","0.1006","0.1216","","","","","","1.059","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155985","5.6704","0.0002","15.6773","0.0006","9.7844","0.0003","90","","90","","90","","869.8","0.05","130.01","0.1","130.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0476","0.0401","","","0.1068","0.1112","","","","","","1.071","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155986","6.27","0.0013","9.456","0.0019","23.6","0.005","90","","90","","90","","1399.2","0.5","100","0.1","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N3 O8 -","- C13 H11 N3 O8 -","- C52 H44 N12 O32 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","","0.71073","synchrotron","","0.0368","0.0339","","","0.0881","0.0906","","","","","","1.081","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155987","7.06","0.003","11.3973","0.0017","13.353","0.003","70.012","0.019","84.34","0.03","84.46","0.02","1002.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-methyl 2-chloro-3-ethynylquinoline","","- C12 H8 Cl N -","- C12 H8 Cl N -","- C48 H32 Cl4 N4 -","4","2","","Singh, Radhey M.; Nandini, Durgesh; Bharadwaj, Kishor Chandra; Gupta, Tanu; Singh, Raj Pal","Na2S mediated synthesis of terminal alkynes from gem-dibromoalkenes","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02431B","","","0.71073","MoKα","","0.2236","0.0681","","","0.1016","0.1624","","","","","","0.975","","","","has coordinates","203213","2020-10-21","18:00:00",""
"7155988","7.7992","0.0003","9.552","0.0004","9.6675","0.0004","90.026","0.002","112.759","0.0017","93.5164","0.0016","662.65","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 Cl N4 O4 S2 -","- C28 H29 Cl N4 O4 S2 -","- C28 H29 Cl N4 O4 S2 -","1","0.5","","Wessel, Andrew J.; Schultz, Jason W.; Tang, Fenghzi; Duan, Hui; Mirica, Liviu M.","Improved Synthesis of Symmetrically & Asymmetrically N-Substituted Pyridinophane Derivatives","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02508D","","","0.71073","MoKα","","0.0651","0.0581","","","0.1312","0.1343","","","","","","1.227","","","","has coordinates,has disorder","203214","2020-10-21","18:00:00",""
"7155989","9.412","0.0007","12.0734","0.0014","13.3979","0.0014","111.486","0.01","93.777","0.007","100.958","0.008","1375.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H28 S -","- C36 H28 S -","- C72 H56 S2 -","2","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Verma, Akhilesh K.","Pd-Catalyzed One-Pot Sequential Cross-Coupling Reactions of Tetrabromothiophene","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02601C","","","0.71073","MoKα","","0.1165","0.0916","","","0.2601","0.2968","","","","","","1.077","","","","has coordinates","203328","2020-10-21","18:00:00",""
"7155990","8.8974","0.0002","11.2339","0.0002","15.5141","0.0003","102.767","0.002","96.993","0.002","90.293","0.001","1500.26","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O11 -","- C32 H26 O11 -","- C64 H52 O22 -","2","1","","Liu, Zhaoming; Chen, Senhua; Pei, Qiu; Chunbing, Tan; long, yuhua; Lu, Yongjun; She, Zhi-Gang","(+)- and (‒)-Ascomlactone A, a pair of Novel Dimeric Polyketides from a Mangrove Endophytic Fungus Ascomycota sp. SK2YWS-L","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02707A","","","1.54178","CuKα","","0.0667","0.0623","","","0.1933","0.1977","","","","","","1.07","","","","has coordinates","203439","2020-10-21","18:00:00",""
"7155991","6.32903","0.00009","8.54815","0.00013","23.7167","0.0004","90","","90","","90","","1283.11","0.03","99.97","0.12","99.97","0.12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0306","0.0297","","","0.0735","0.0743","","","","","","1.025","","","","has coordinates","230638","2020-10-21","18:00:00",""
"7155992","9.66134","0.00017","5.45597","0.0001","14.8724","0.0002","90","","93.7727","0.0016","90","","782.25","0.02","291.84","0.1","291.84","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0336","0.0332","","","0.0899","0.0904","","","","","","1.049","","","","has coordinates","230638","2020-10-21","18:00:00",""
"7155993","6.38939","0.00011","7.59037","0.00013","26.8562","0.0005","90","","90","","90","","1302.47","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0308","0.0304","","","0.078","0.0785","","","","","","1.07","","","","has coordinates","230638","2020-10-21","18:00:00",""
"7155994","16.373","0.003","17.935","0.002","18.38","0.003","90","","114.773","0.003","90","","4900.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cl6 N6 O6 -","- C44 H56 Cl6 N6 O6 -","- C176 H224 Cl24 N24 O24 -","4","1","","D'Amato, A.; Schettini, R.; Della Sala, G.; Costabile, C.; Tedesco, C.; Izzo, I.; De Riccardis, F.","Conformational isomerism in cyclic peptoids and its specification","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02643A","","","0.71073","MoKα","","0.1733","0.0888","","","0.2278","0.3026","","","","","","0.906","","","","has coordinates","203475","2020-10-21","18:00:00",""
"7155995","9.7379","0.0019","13.134","0.003","14.204","0.003","74.4","0.03","79.76","0.03","87.25","0.03","1721.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19.5 N2.5 O3 -","- C19 H19.5 N2.5 O3 -","- C76 H78 N10 O12 -","4","2","","Bellucci, M. C.; Frigerio, M.; Castellano, C.; Meneghetti, F.; Sacchetti, A.; Volonterio, A.","Design, synthesis, and conformational analysis of 3-cyclo-butylcarbamoyl hydantoins as novel hydrogen bond driven universal peptidomimetics.","Organic & biomolecular chemistry","2018","16","4","521","525","10.1039/c7ob02680c","","","0.71073","MoKα","","0.1371","0.0837","","","0.2141","0.2487","","","","","","1.009","","","","has coordinates","230704","2020-10-21","18:00:00",""
"7155996","7.7842","0.0016","19.387","0.004","8.315","0.0017","90","","106.96","0.03","90","","1200.3","0.5","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H34 N4 O5 -","- C24 H34 N4 O5 -","- C48 H68 N8 O10 -","2","1","","Bellucci, M. C.; Frigerio, M.; Castellano, C.; Meneghetti, F.; Sacchetti, A.; Volonterio, A.","Design, synthesis, and conformational analysis of 3-cyclo-butylcarbamoyl hydantoins as novel hydrogen bond driven universal peptidomimetics.","Organic & biomolecular chemistry","2018","16","4","521","525","10.1039/c7ob02680c","","","0.71073","MoKα","","0.1224","0.089","","","0.1501","0.1659","","","","","","1.245","","","","has coordinates","230704","2020-10-21","18:00:00",""
"7155997","24.68","0.0009","24.68","0.0009","101.978","0.005","90","","90","","120","","53793","4","100.01","0.1","100.01","0.1","","","","","","","","3","R -3 :H","-R 3","148","FRP-6","","","- C300 H324 N12 -","- C300 H324 N12 -","- C1800 H1944 N72 -","6","0.333333","","Wang, Xinchang; Peng, Pixian; Xuan, Wei; Wang, Yu; Zhuang, Yongbin; Tian, Zhongqun; Cao, Xiaoyu","Narcissistic chiral self-sorting of molecular face-rotating polyhedra.","Organic & biomolecular chemistry","2017","16","1","34","37","10.1039/c7ob02727c","","","1.54184","CuKα","","0.1743","0.126","","","0.3615","0.4099","","","","","","1.231","","","","has coordinates","230640","2020-10-21","18:00:00",""
"7155998","27.8827","0.0006","27.8827","0.0006","25.2681","0.0005","90","","90","","120","","17012.7","0.6","150","0.1","150","0.1","","","","","","","","3","P -3","-P 3","147","FRP-7","","","- C252 H324 N12 -","- C252 H324 N12 -","- C504 H648 N24 -","2","0.333333","","Wang, Xinchang; Peng, Pixian; Xuan, Wei; Wang, Yu; Zhuang, Yongbin; Tian, Zhongqun; Cao, Xiaoyu","Narcissistic chiral self-sorting of molecular face-rotating polyhedra.","Organic & biomolecular chemistry","2017","16","1","34","37","10.1039/c7ob02727c","","x-ray","1.54184","CuKα","","0.1242","0.0971","","","0.2951","0.3293","","","","","","1.108","","","","has coordinates","230640","2020-10-21","18:00:00",""
"7155999","14.3715","0.0005","14.9202","0.0005","19.0907","0.0006","90","","90","","90","","4093.5","0.2","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","6,7-dihydro-4-nitro-6-[(1-phenyl-2-methyl)propyl]-dibenzo[d,f][1,2]thiazepine 5,5-dioxide","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C184 H176 N16 O32 S8 -","8","1","","Balgobin, Sinead M. C.; Brookes, Dominic J.; Jiang, Junxiang; Pritchard, Robin G.; Wallace, Timothy W.","Axial stereocontrol in tropos dibenz[c,e]azepines: the individual and cooperative effects of alkyl substituents","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02385E","","x-ray","0.71073","MoKα","","0.0962","0.0527","","","0.099","0.1252","","","","","","1.092","","","","has coordinates","203678","2020-10-21","18:00:00",""
"7156000","10.1508","0.001","14.2203","0.0012","14.6966","0.0014","90","","106.099","0.01","90","","2038.2","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","6,7-dihydro-5-(1-methylethyl)-6-[(2-nitrophenyl)sulfonyl]-5H-dibenz[c,e]azepine","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C92 H88 N8 O16 S4 -","4","1","","Balgobin, Sinead M. C.; Brookes, Dominic J.; Jiang, Junxiang; Pritchard, Robin G.; Wallace, Timothy W.","Axial stereocontrol in tropos dibenz[c,e]azepines: the individual and cooperative effects of alkyl substituents","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02385E","","x-ray","0.71073","MoKα","","0.1094","0.0676","","","0.101","0.1185","","","","","","1.019","","","","has coordinates","203678","2020-10-21","18:00:00",""
"7156001","7.966","0.002","9.708","0.003","13.669","0.004","90","","98.158","0.005","90","","1046.4","0.5","203","","203","","","","","","","","","5","P 1 c 1","P -2yc","7","","2-((3-(4-nitrophenyl)-1-tosyl-1H-pyrazol-4-yl)methyl)benzonitrile","","- C24 H18 N4 O4 S -","- C24 H18 N4 O4 S -","- C48 H36 N8 O8 S2 -","2","1","","Yang, Ying; Hu, Zi-Lin; Li, Ren-Hao; Chen, Yi-Hui; Zhan, Zhuang-Ping","Pyrazole synthesis via a cascade Sonogashira coupling/cyclization of N-propargyl sulfonylhydrazones.","Organic & biomolecular chemistry","2018","16","2","197","201","10.1039/c7ob02576a","","","0.71073","MoKα","","0.0468","0.0423","","","0.0966","0.099","","","","","","1.042","","","","has coordinates","230714","2020-10-21","18:00:00",""
"7156002","9.337","0.003","10.612","0.004","13.512","0.005","71.627","0.004","81.23","0.005","72.359","0.005","1208.4","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N5 O7 -","- C25 H21 N5 O7 -","- C50 H42 N10 O14 -","2","1","","Mondal, Animesh; Naskar, Barnali; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Keya; Mukhopadhyay, Chhanda","I<sub>2</sub> catalyzed access of spiro[indoline-3,4'-pyridine] appended amine dyad: new ON-OFF chemosensors for Cu<sup>2+</sup> and imaging in living cells.","Organic & biomolecular chemistry","2018","16","2","302","315","10.1039/c7ob02651j","","","0.71073","MoKα","","0.0874","0.0514","","","0.1515","0.201","","","","","","0.718","","","","has coordinates","230716","2020-10-21","18:00:00",""
"7156003","7.2037","0.0011","10.9197","0.0017","23.762","0.004","90","","90","","90","","1869.2","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O4 Si -","- C17 H28 O4 Si -","- C68 H112 O16 Si4 -","4","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0542","0.0533","","","0.1337","0.1349","","","","","","1.087","","","","has coordinates,has disorder","230715","2020-10-21","18:00:00",""
"7156004","14.9553","0.0002","8.63515","0.00011","19.7885","0.0003","90","","111.869","0.0019","90","","2371.61","0.06","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C104 H128 O40 -","8","4","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0468","0.0456","","","0.1279","0.1287","","","","","","1.022","","","","has coordinates","230715","2020-10-21","18:00:00",""
"7156005","12.308","0.007","6.22","0.003","13.145","0.007","90","","108.591","0.011","90","","953.8","0.9","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C36 H48 O14 -","2","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0352","0.0332","","","0.0869","0.0881","","","","","","1.047","","","","has coordinates","230715","2020-10-21","18:00:00",""
"7156006","7.4671","0.0013","32.535","0.005","5.2751","0.0009","90","","108.583","0.004","90","","1214.7","0.4","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0508","0.0497","","","0.1135","0.1144","","","","","","1.15","","","","has coordinates","230715","2020-10-21","18:00:00",""
"7156007","10.1923","0.0018","18.865","0.003","31","0.006","90","","91.926","0.006","90","","5957.2","1.8","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H44 N O7.5 S2.5 Si -","- C22 H44 N O7.5 S2.5 Si -","- C176 H352 N8 O60 S20 Si8 -","8","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","0.71075","MoKα","","0.1555","0.1069","","","0.279","0.3146","","","","","","1.054","","","","has coordinates,has disorder","230715","2020-10-21","18:00:00",""
"7156008","14.189","0.014","4.122","0.004","19.078","0.019","90","","96.17","0.012","90","","1109.4","1.9","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 I N S -","- C12 H8 I N S -","- C48 H32 I4 N4 S4 -","4","1","","Sonawane, Amol D.; Garud, Dinesh R.; Udagawa, Taro; Koketsu, Mamoru","Synthesis of thieno[2,3-b]quinoline and selenopheno[2,3-b]quinoline derivatives via iodocyclization reaction and a DFT mechanistic study.","Organic & biomolecular chemistry","2018","16","2","245","255","10.1039/c7ob02523h","","","0.7107","MoKα","","0.0607","0.047","","","0.1189","0.1346","","","","","","0.809","","","","has coordinates","230713","2020-10-21","18:00:00",""
"7156009","6.6297","0.0015","15.443","0.004","20.287","0.005","90","","90","","90","","2077","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C96 H80 Br4 N4 O8 -","4","1","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0516","0.0308","","","0.0653","0.0721","","","","","","1.009","","","","has coordinates","230641","2020-10-21","18:00:00",""
"7156010","7.297","0.002","10.159","0.003","14.198","0.004","90","","97.465","0.004","90","","1043.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Br N O2 -","- C25 H22 Br N O2 -","- C50 H44 Br2 N2 O4 -","2","1","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0862","0.0463","","","0.0982","0.1229","","","","","","1.005","","","","has coordinates","230641","2020-10-21","18:00:00",""
"7156011","18.851","0.005","6.6457","0.0019","20.17","0.006","90","","114.181","0.003","90","","2305.1","1.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H28 Br N O2 S -","- C22 H28 Br N O2 S -","- C88 H112 Br4 N4 O8 S4 -","4","2","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0702","0.0435","","","0.102","0.1306","","","","","","1.036","","","","has coordinates","230641","2020-10-21","18:00:00",""
"7156012","19.6052","0.0007","6.8504","0.0002","24.8223","0.0009","90","","90","","90","","3333.7","0.2","223","","223","1","","","","","","","see text","3","P b c a","-P 2ac 2ab","61","","(2Z)-7-phenyl-2-(phenylmethylidine)-1,4,6-triozaspiro[4.5]decane","","- C20 H20 O3 -","- C20 H20 O3 -","- C160 H160 O24 -","8","1","","Lombard, Fanny J.; Lepage, Romain J.; Schwartz, Brett D.; Johnston, Ryne C.; Healy, Peter C.; Krenske, Elizabeth H.; Coster, Mark J.","Synthesis of spirocyclic orthoesters by 'anomalous' rhodium(ii)-catalysed intramolecular C-H insertions.","Organic & biomolecular chemistry","2018","16","2","256","261","10.1039/c7ob02123b","","","0.7107","MoKα","","0.1049","0.0657","","","0.1044","0.1168","","","","","","1.117","","","","has coordinates","230712","2020-10-21","18:00:00",""
"7156013","5.5664","0.0003","8.8236","0.0005","28.6221","0.0019","90","","90","","90","","1405.79","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Ruvinskaya, Julia O.; Rostovskii, Nikolai V.; Filippov, Ilya P.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","A novel approach to 5H-pyrazino[2,3-b]indoles via annulation of 3-diazoindolin-2-imines with 2H-azirines or 5-alkoxyisoxazoles under Rh(ii) catalysis.","Organic & biomolecular chemistry","2017","16","1","38","42","10.1039/c7ob02637d","","","0.71073","MoKα","","0.0505","0.0419","","","0.0891","0.0924","","","","","","1.07","","","","has coordinates","230639","2020-10-21","18:00:00",""
"7156014","19.3723","0.0014","8.7871","0.0005","19.497","0.0014","90","","109.41","0.008","90","","3130.3","0.4","295.3","0.7","295.3","0.7","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N4 O -","- C18 H12 N4 O -","- C144 H96 N32 O8 -","8","1","","Zhang, Cheng; Dong, Shanliang; Zheng, Yang; He, Ciwang; Chen, Jiaolong; Zhen, Jingsen; Qiu, Lihua; Xu, Xinfang","Synthesis of spiro-4H-pyrazole-oxindoles and fused 1H-pyrazoles via divergent, thermally induced tandem cyclization/migration of alkyne-tethered diazo compounds.","Organic & biomolecular chemistry","2018","16","5","688","692","10.1039/c7ob02802d","","","0.71073","MoKα","","0.1056","0.0503","","","0.1085","0.1377","","","","","","1.01","","","","has coordinates","230670","2020-10-21","18:00:00",""
"7156015","5.432","0.0002","19.9758","0.0009","17.4712","0.0008","90","","97.033","0.002","90","","1881.51","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O3 S -","- C23 H17 N3 O3 S -","- C92 H68 N12 O12 S4 -","4","1","","Zhang, Cheng; Dong, Shanliang; Zheng, Yang; He, Ciwang; Chen, Jiaolong; Zhen, Jingsen; Qiu, Lihua; Xu, Xinfang","Synthesis of spiro-4H-pyrazole-oxindoles and fused 1H-pyrazoles via divergent, thermally induced tandem cyclization/migration of alkyne-tethered diazo compounds.","Organic & biomolecular chemistry","2018","16","5","688","692","10.1039/c7ob02802d","","","0.71073","MoKα","","0.0929","0.0674","","","0.1659","0.192","","","","","","1.159","","","","has coordinates,has disorder","230670","2020-10-21","18:00:00",""
"7156016","10.2838","0.0005","12.8459","0.001","20.2842","0.0018","101.537","0.007","91.712","0.005","108.106","0.006","2483.3","0.3","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C52.5 H46 Br Cl Cu N3 O P2 -","- C52.5 H44 Br Cl Cu N3 O P2 -","- C105 H88 Br2 Cl2 Cu2 N6 O2 P4 -","2","1","","Zhang, Cheng; Dong, Shanliang; Zheng, Yang; He, Ciwang; Chen, Jiaolong; Zhen, Jingsen; Qiu, Lihua; Xu, Xinfang","Synthesis of spiro-4H-pyrazole-oxindoles and fused 1H-pyrazoles via divergent, thermally induced tandem cyclization/migration of alkyne-tethered diazo compounds.","Organic & biomolecular chemistry","2018","16","5","688","692","10.1039/c7ob02802d","","","0.71073","MoKα","","0.1506","0.0729","","","0.1784","0.2325","","","","","","1.032","","","","has coordinates","230670","2020-10-21","18:00:00",""
"7156017","6.0374","0.0007","9.0824","0.001","13.2438","0.0015","71.46","0.002","88.791","0.002","78.837","0.002","674.86","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N O3 S3 -","- C11 H13 N O3 S3 -","- C22 H26 N2 O6 S6 -","2","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.0748","0.0703","","","0.2061","0.2115","","","","","","1.06","","","","has coordinates,has disorder","230882","2020-10-21","18:00:00",""
"7156018","15.4813","0.0007","13.2156","0.0006","11.737","0.0004","90","","98.003","0.001","90","","2377.94","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N O5 P S -","- C22 H28 N O5 P S -","- C88 H112 N4 O20 P4 S4 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.0757","0.0625","","","0.1686","0.1792","","","","","","1.051","","","","has coordinates","230882","2020-10-21","18:00:00",""
"7156019","6.1417","0.0008","9.665","0.0013","20.803","0.003","90","","97.498","0.002","90","","1224.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 S3 -","- C10 H11 N O2 S3 -","- C40 H44 N4 O8 S12 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.0574","0.056","","","0.1341","0.1351","","","","","","1.182","","","","has coordinates","230882","2020-10-21","18:00:00",""
"7156020","10.9934","0.0013","15.541","0.002","10.7812","0.0015","90","","99.582","0.004","90","","1816.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N2 O3 S2 -","- C17 H17 Cl N2 O3 S2 -","- C68 H68 Cl4 N8 O12 S8 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.1339","0.0885","","","0.1875","0.2073","","","","","","1.057","","","","has coordinates","230882","2020-10-21","18:00:00",""
"7156021","17.218","0.007","7.657","0.003","14.611","0.006","90","","103.225","0.012","90","","1875.2","1.3","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N2 O2 S2 -","- C18 H19 Cl N2 O2 S2 -","- C72 H76 Cl4 N8 O8 S8 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.1276","0.0547","","","0.1079","0.1277","","","","","","1.009","","","","has coordinates","230882","2020-10-21","18:00:00",""
"7156022","10.1637","0.0004","17.2472","0.0005","25.5023","0.0009","90","","90","","90","","4470.4","0.3","219.9","","219.9","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H55 Cl6 N5 O8 -","- C33 H55 Cl6 N5 O8 -","- C132 H220 Cl24 N20 O32 -","4","1","","Lee, Jaeyeon; Shim, Jihyun; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Side chain-specific 11/9-helix propensity of α/β-peptides with alternating residue types.","Organic & biomolecular chemistry","2018","16","3","433","438","10.1039/c7ob02816d","","","0.71073","MoKα","","0.1037","0.0772","","","0.2108","0.2342","","","","","","1.03","","","","has coordinates,has disorder","230880","2020-10-21","18:00:00",""
"7156023","8.2376","0.0004","8.7359","0.0004","11.8649","0.0006","98.745","0.002","102.654","0.002","102.432","0.002","795.58","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","vbchem162_0m_a","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","","Samanta, Sadhanendu; Mondal, Susmita; Hajra, Alakananda","A convergent synthesis of vinyloxyimidazopyridine via Cu(i)-catalyzed three-component coupling.","Organic & biomolecular chemistry","2018","16","7","1088","1092","10.1039/c7ob02883k","","","0.71073","MoKα","","0.0913","0.067","","","0.1789","0.2103","","","","","","1.158","","","","has coordinates","230794","2020-10-21","18:00:00",""
"7156024","9.5942","0.0006","9.7522","0.0007","10.4775","0.0006","101.242","0.003","98.692","0.003","100.998","0.003","925.62","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","vbchem152_0m_a","vbchem152_0m_a","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Samanta, Sadhanendu; Mondal, Susmita; Hajra, Alakananda","A convergent synthesis of vinyloxyimidazopyridine via Cu(i)-catalyzed three-component coupling.","Organic & biomolecular chemistry","2018","16","7","1088","1092","10.1039/c7ob02883k","","","0.71073","MoKα","","0.1304","0.0923","","","0.2333","0.273","","","","","","1.24","","","","has coordinates","230794","2020-10-21","18:00:00",""
"7156025","11.0397","0.0005","10.6042","0.0003","19.2081","0.0009","90","","90","","90","","2248.64","0.16","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-fluorophenyl)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one","","- C13 H14 F N O -","- C13 H14 F N O -","- C104 H112 F8 N8 O8 -","8","1","","Maslivetc, Vladimir; Barrett, Colby; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Intramolecular nucleophilic addition of carbanions generated from N-benzylamides to cyclopropenes.","Organic & biomolecular chemistry","2018","16","2","285","294","10.1039/c7ob02068f","","x-ray","1.54184","CuKα","","0.0736","0.0652","","","0.1715","0.1812","","","","","","1.054","","","","has coordinates","230717","2020-10-21","18:00:00",""
"7156026","5.9946","0.0002","13.3006","0.0005","13.1317","0.0005","90","","93.111","0.003","90","","1045.47","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-((3R,4S,5S)-4-nitro-2-((2-nitrophenyl)sulfonyl)-3-phenyl-1,2-oxazinan-5-yl)acetate","","- C19 H19 N3 O9 S -","- C19 H19 N3 O9 S -","- C38 H38 N6 O18 S2 -","2","1","","Moczulski, Marek; Drelich, Piotr; Albrecht, Łukasz","Bifunctional catalysis in the stereocontrolled synthesis of tetrahydro-1,2-oxazines.","Organic & biomolecular chemistry","2018","16","3","376","379","10.1039/c7ob02894f","","x-ray","1.54184","CuKα","","0.0633","0.058","","","0.1566","0.1609","","","","","","1.029","","","","has coordinates","230881","2020-10-21","18:00:00",""
"7156027","15.2712","0.0005","11.6024","0.0004","14.692","0.0005","90","","107.143","0.001","90","","2487.51","0.15","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl2 O2 -","- C30 H24 Cl2 O2 -","- C120 H96 Cl8 O8 -","4","1","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0493","0.0365","","","0.0841","0.091","","","","","","1.022","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156028","14.8423","0.0004","16.4382","0.0005","12.546","0.0004","90","","97.066","0.001","90","","3037.73","0.16","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O2 -","- C24 H30 O2 -","- C144 H180 O12 -","6","1.5","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0602","0.0447","","","0.0995","0.1075","","","","","","1.03","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156029","8.2432","0.0002","10.4558","0.0003","13.9905","0.0004","89.46","0.001","73.266","0.001","88.81","0.001","1154.51","0.05","150","2","150","2","","","","","","","synthesized by the authors","3","P -1","-P 1","2","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","1","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0438","0.0363","","","0.0966","0.1013","","","","","","1.029","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156030","8.2454","0.0002","10.3667","0.0003","14.2973","0.0004","90.201","0.001","104.558","0.001","90.585","0.001","1182.78","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C30 H24 F2 O2 -","- C30 H24 F2 O2 -","- C60 H48 F4 O4 -","2","1","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0416","0.0368","","","0.0899","0.093","","","","","","1.037","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156031","6.164","0.0003","8.847","0.0004","12.0067","0.0005","106.131","0.001","92.963","0.001","101.467","0.001","612.44","0.05","150","2","150","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C30 H24 Cl2 O2 -","- C30 H24 Cl2 O2 -","- C30 H24 Cl2 O2 -","1","0.5","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0305","0.0298","","","0.0778","0.0783","","","","","","1.047","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156032","31.822","0.0018","31.822","0.0018","13.3046","0.0005","90","","90","","120","","11667.8","1","170.1","","170.1","","","","","","","","","6","R -3","-R 3","148","","","","- C23 H17 Cl N2 O3 S2 -","- C23 H17 Cl N2 O3 S2 -","- C414 H306 Cl18 N36 O54 S36 -","18","","","Ma, Fanghui; Qian, Jing; Lu, Ping; Wang, Yanguang","Convenient Synthesis of 2-Amino-3-(arylthio)indoles via Rh-Catalyzed Reaction of 3-Diazoindol-2-imines with Thioesters","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02597A","","","0.71073","MoKα","","0.066","0.0515","","","0.1215","0.1335","","","","","","1.024","","","","has coordinates","204211","2020-10-21","18:00:00",""
"7156033","14.9465","0.0016","9.956","0.0008","14.9447","0.0012","90","","105.076","0.01","90","","2147.3","0.4","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F N2 O3 S2 -","- C23 H19 F N2 O3 S2 -","- C92 H76 F4 N8 O12 S8 -","4","1","","Ma, Fanghui; Qian, Jing; Lu, Ping; Wang, Yanguang","Convenient Synthesis of 2-Amino-3-(arylthio)indoles via Rh-Catalyzed Reaction of 3-Diazoindol-2-imines with Thioesters","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02597A","","","0.71073","MoKα","","0.058","0.0441","","","0.1048","0.1151","","","","","","1.058","","","","has coordinates","204211","2020-10-21","18:00:00",""
"7156034","29.898","0.003","12.7893","0.0014","24.928","0.003","90","","123.131","0.002","90","","7982.2","1.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 F5 N O2 -","- C48 H30 F5 N O2 -","- C384 H240 F40 N8 O16 -","8","1","","Muthusamy, Sengodagounder; Balasubramani, Alagesan; Suresh, Eringathodi","A BF<sub>3</sub>·Et<sub>2</sub>O catalyzed atom-economical approach to highly substituted indole-3-carbinols from nitrosobenzenes and propargylic alcohols.","Organic & biomolecular chemistry","2018","16","5","756","764","10.1039/c7ob02559a","","","0.71073","MoKα","","0.087","0.0714","","","0.1533","0.1601","","","","","","1.146","","","","has coordinates","230674","2020-10-21","18:00:00",""
"7156035","12.813","0.002","14.49","0.002","16.225","0.004","108.147","0.003","98.12","0.004","116.118","0.002","2429.6","0.8","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Br N O3.5 S -","- C27 H25 Br N O3.5 S -","- C108 H100 Br4 N4 O14 S4 -","4","2","","Wang, Shengzheng; Chen, Shuqiang; Guo, Zhongjie; He, Shipeng; Zhang, Fan; Liu, Xueying; Chen, Weiping; Zhang, Shengyong; Sheng, Chunquan","Synthesis of spiro-tetrahydrothiopyran-oxindoles by Michael-aldol cascade reactions: discovery of potential P53-MDM2 inhibitors with good antitumor activity.","Organic & biomolecular chemistry","2018","16","4","625","634","10.1039/c7ob02726e","","","0.71073","MoKα","","0.1058","0.0572","","","0.1385","0.1788","","","","","","1.046","","","","has coordinates","230705","2020-10-21","18:00:00",""
"7156036","12.6542","0.0008","6.7364","0.0004","18.7735","0.0012","90","","103.364","0.003","90","","1556.99","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-6-yl)phenol","","- C19 H14 Cl N3 O -","- C19 H14 Cl N3 O -","- C76 H56 Cl4 N12 O4 -","4","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.1236","0.0623","","","0.1084","0.1338","","","","","","1.033","","","","has coordinates","230671","2020-10-21","18:00:00",""
"7156037","7.2883","0.0002","7.8141","0.0002","15.5616","0.0003","78.263","0.001","86.775","0.001","76.922","0.001","845.17","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","6-Chloro-7-(2-hydroxy-5-methylphenyl)pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C16 H16 Cl N3 O4 S -","- C16 H16 Cl N3 O4 S -","- C32 H32 Cl2 N6 O8 S2 -","2","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.055","0.039","","","0.0941","0.1038","","","","","","1.039","","","","has coordinates","230671","2020-10-21","18:00:00",""
"7156038","32.653","0.002","4.8634","0.0004","21.787","0.0016","90","","119.984","0.004","90","","2996.8","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,8-Dimethyl-1-phenyl-1<i>H</i>-benzofuro[3,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridine","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.0757","0.0462","","","0.1076","0.1274","","","","","","1.019","","","","has coordinates","230671","2020-10-21","18:00:00",""
"7156039","20.255","0.01","7.228","0.004","14.842","0.008","90","","107.35","0.03","90","","2074","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-6-yl)-4-methylphenol","","- C21 H20 Cl N3 O3 S -","- C21 H20 Cl N3 O3 S -","- C84 H80 Cl4 N12 O12 S4 -","4","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.1086","0.0491","","","0.097","0.1205","","","","","","1.03","","","","has coordinates,has disorder","230671","2020-10-21","18:00:00",""
"7156040","14.4555","0.0007","5.39","0.0003","22.7358","0.001","90","","100.038","0.004","90","","1744.35","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.08","0.052","","","0.1085","0.1202","","","","","","1.05","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156041","6.7449","0.0004","11.3462","0.0007","12.9292","0.0007","67.033","0.005","83.287","0.005","88.921","0.005","904.39","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C48 H40 O8 -","2","1","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0792","0.0514","","","0.1121","0.1253","","","","","","1.018","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156042","7.76154","0.00016","14.0693","0.0003","16.6303","0.0003","103.626","0.0017","100.792","0.0017","99.5738","0.0017","1691.05","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 I O4 -","- C21 H13 I O4 -","- C84 H52 I4 O16 -","4","2","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0418","0.0332","","","0.0686","0.0719","","","","","","1.024","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156043","12.5028","0.0006","9.0127","0.0003","17.7036","0.001","90","","103.877","0.005","90","","1936.69","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 I O4 -","- C24 H19 I O4 -","- C96 H76 I4 O16 -","4","1","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0669","0.0452","","","0.0762","0.0828","","","","","","1.029","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156044","6.7649","0.0002","12.8471","0.0004","24.6221","0.0007","82.354","0.002","86.293","0.002","88.097","0.002","2115.77","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 I O4 -","- C25 H21 I O4 -","- C100 H84 I4 O16 -","4","2","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0804","0.0483","","","0.0806","0.0899","","","","","","1.014","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156045","27.2601","0.0008","10.403","0.0003","26.2305","0.0007","90","","90.833","0.002","90","","7437.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C384 H352 O48 -","16","4","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.146","0.0885","","","0.2033","0.2379","","","","","","1.058","","","","has coordinates,has disorder","230884","2020-10-21","18:00:00",""
"7156046","7.7672","0.0002","9.3611","0.0003","19.2665","0.0006","90","","90","","90","","1400.86","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","Liu, Yi-Wen; Ma, Rui-Jun; Yan, Jia-Hang; Zhou, Zhu; Wei, Bang-Guo","Asymmetric synthesis of (-)-sedacryptine through a diastereoselective Mannich reaction of N,O-acetals with ketones.","Organic & biomolecular chemistry","2018","16","5","771","779","10.1039/c7ob02989f","","","1.54178","CuKα","","0.0484","0.0448","","","0.1198","0.1238","","","","","","1.061","","","","has coordinates","230668","2020-10-21","18:00:00",""
"7156047","33.616","0.0019","7.9053","0.0004","11.1852","0.0007","90","","91.38","0.002","90","","2971.5","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H43 N O4 Si -","- C27 H43 N O4 Si -","- C108 H172 N4 O16 Si4 -","4","1","","Liu, Yi-Wen; Ma, Rui-Jun; Yan, Jia-Hang; Zhou, Zhu; Wei, Bang-Guo","Asymmetric synthesis of (-)-sedacryptine through a diastereoselective Mannich reaction of N,O-acetals with ketones.","Organic & biomolecular chemistry","2018","16","5","771","779","10.1039/c7ob02989f","","","0.71073","MoKα","","0.0538","0.0449","","","0.127","0.1375","","","","","","1.008","","","","has coordinates","230668","2020-10-21","18:00:00",""
"7156048","18.502","0.003","7.545","0.0013","14.387","0.002","90","","119.633","0.003","90","","1745.7","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H17 Br O3 -","- C20 H17 Br O3 -","- C80 H68 Br4 O12 -","4","1","","Li, Kun; Zhu, Fu-Lin; Liu, Zhen-Ting; Tong, Jing; Hu, Xiang-Ping","Decarboxylation-promoted Pd-catalyzed asymmetric propargylic [3 + 2] annulation for the enantioselective construction of a quaternary stereocenter in 2,3-dihydrofurans.","Organic & biomolecular chemistry","2018","16","5","742","749","10.1039/c7ob02778h","","","0.71073","MoKα","","0.0568","0.0419","","","0.1067","0.1143","","","","","","0.985","","","","has coordinates","230673","2020-10-21","18:00:00",""
"7156049","15.4159","0.0007","16.6808","0.0009","17.397","0.0006","90","","106.212","0.004","90","","4295.7","0.3","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C192 H256 O32 -","16","4","","Meng, Zhe; Liu, Bo","Total synthesis of five natural eremophilane-type sesquiterpenoids.","Organic & biomolecular chemistry","2018","16","6","957","962","10.1039/c7ob02769a","","x-ray","0.71073","MoKα","","0.0909","0.0493","","","0.117","0.1397","","","","","","1.016","","","","has coordinates","230719","2020-10-21","18:00:00",""
"7156050","7.3633","0.0006","8.6583","0.0008","9.2145","0.0009","95.128","0.008","98.931","0.008","111.272","0.008","533.98","0.09","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Meng, Zhe; Liu, Bo","Total synthesis of five natural eremophilane-type sesquiterpenoids.","Organic & biomolecular chemistry","2018","16","6","957","962","10.1039/c7ob02769a","","x-ray","0.71073","MoKα","","0.0637","0.0455","","","0.1011","0.1131","","","","","","1.034","","","","has coordinates","230719","2020-10-21","18:00:00",""
"7156051","15.0329","0.0006","7.9949","0.0003","11.4441","0.0006","90","","97.344","0.004","90","","1364.14","0.1","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Meng, Zhe; Liu, Bo","Total synthesis of five natural eremophilane-type sesquiterpenoids.","Organic & biomolecular chemistry","2018","16","6","957","962","10.1039/c7ob02769a","","x-ray","0.71073","MoKα","","0.0746","0.0487","","","0.1132","0.1303","","","","","","1.038","","","","has coordinates","230719","2020-10-21","18:00:00",""
"7156052","10.7257","0.0002","11.3249","0.0002","39.4835","0.0005","90","","90","","90","","4795.96","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","spiro-rhombimine","","","- C54 H60 N4 O8 -","- C54 H60 N4 O8 -","- C216 H240 N16 O32 -","4","1","","Grajewski, J.; Piotrowska, K.; Zgorzelak, M.; Janiak, A.; Biniek-Antosiak, K; Rychlewska, U.; Gawronski, J.","Introduction of axial chirality at a spiro carbon atom in the synthesis of pentaerythritol-imine macrocycles.","Organic & biomolecular chemistry","2018","16","6","981","987","10.1039/c7ob02672b","","","1.54184","CuKα","","0.0504","0.0492","","","0.1325","0.1335","","","","","","1.069","","","","has coordinates","230723","2020-10-21","18:00:00",""
"7156053","11.2591","0.0007","10.2596","0.0005","19.9617","0.0011","90","","91.988","0.002","90","","2304.5","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Shang, Xinye; Liu, Kun; Zhang, Zhongyin; Xu, Xianhong; Li, Pengfei; Li, Wenjun","Direct access to spirobiisoxazoline via the double 1,3-dipolar cycloaddition of nitrile oxide with allenoate.","Organic & biomolecular chemistry","2018","16","6","895","898","10.1039/c7ob03040a","","x-ray","0.71073","MoKα","","0.086","0.0488","","","0.0981","0.1116","","","","","","1.031","","","","has coordinates","230722","2020-10-21","18:00:00",""
"7156054","9.608","0.004","9.984","0.005","28.09","0.013","90","","90","","90","","2695","2","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Br F N3 O4 -","- C31 H23 Br F N3 O4 -","- C124 H92 Br4 F4 N12 O16 -","4","1","","Wu, Shiqi; Zhu, Guodong; Wei, Shiqiang; Chen, Hongbo; Qu, Jingping; Wang, Baomin","Organocatalytic [3 + 2] cycloaddition of oxindole-based azomethine ylides with 3-nitrochromenes: a facile approach to enantioenriched polycyclic spirooxindole-chromane adducts.","Organic & biomolecular chemistry","2018","16","5","807","815","10.1039/c7ob03051g","","","0.71073","MoKα","","0.0573","0.0521","","","0.1377","0.1414","","","","","","1.026","","","","has coordinates","230675","2020-10-21","18:00:00",""
"7156055","9.6421","0.0008","18.6118","0.0012","20.0924","0.0014","90","","90","","90","","3605.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H47 B N2 O3 -","- C43 H47 B N2 O3 -","- C172 H188 B4 N8 O12 -","4","1","","Setner, B.; Wierzbicka, M.; Jerzykiewicz, L.; Lisowski, M.; Szewczuk, Z.","The unexpected racemization and hydrogen-deuterium exchange of the hydrogen at the α-carbon of proline analogs containing the 5-azoniaspiro[4.4]nonyl-group.","Organic & biomolecular chemistry","2018","16","5","825","831","10.1039/c7ob02926h","","","0.71073","MoKα","","0.0697","0.049","","","0.0883","0.097","","","","","","1.034","","","","has coordinates","230669","2020-10-21","18:00:00",""
"7156056","9.7197","0.0006","12.3037","0.0005","19.686","0.0009","90","","90","","90","","2354.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(tosylamine)pyrrolidine","","- C23 H30 N2 O4 S -","- C23 H30 N2 O4 S -","- C92 H120 N8 O16 S4 -","4","1","","Castán, A; Badorrey, R.; Gálvez, J A; López-Ram-de-Víu, P; Díaz-de-Villegas, M D","Michael addition of carbonyl compounds to nitroolefins under the catalysis of new pyrrolidine-based bifunctional organocatalysts.","Organic & biomolecular chemistry","2018","16","6","924","935","10.1039/c7ob02798b","","","0.71073","MoKα","","0.1471","0.0664","","","0.1025","0.1263","","","","","","0.994","","","","has coordinates","230724","2020-10-21","18:00:00",""
"7156057","14.565","0.003","11.48","0.002","24.047","0.005","90","","90","","90","","4020.8","1.4","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 I N O -","- C24 H20 I N O -","- C192 H160 I8 N8 O8 -","8","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.0392","0.0364","","","0.0754","0.0766","","","","","","1.193","","","","has coordinates,has disorder","230718","2020-10-21","18:00:00",""
"7156058","12.79","0.004","14.85","0.005","12.068","0.004","90","","97.127","0.006","90","","2274.4","1.3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.1177","0.0982","","","0.1497","0.1567","","","","","","1.308","","","","has coordinates","230718","2020-10-21","18:00:00",""
"7156059","9.2532","0.0019","9.542","0.003","12.045","0.003","82.895","0.003","86.591","0.003","79.419","0.003","1036.7","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Cl I N O -","- C24 H19 Cl I N O -","- C48 H38 Cl2 I2 N2 O2 -","2","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.0352","0.0339","","","0.0796","0.0805","","","","","","1.162","","","","has coordinates","230718","2020-10-21","18:00:00",""
"7156060","10.69","0.002","28.425","0.006","9.586","0.002","90","","111.155","0.003","90","","2716.5","1","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cl2 N2 O2 -","- C33 H30 Cl2 N2 O2 -","- C132 H120 Cl8 N8 O8 -","4","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.0607","0.0541","","","0.1238","0.1278","","","","","","1.096","","","","has coordinates","230718","2020-10-21","18:00:00",""
"7156061","13.368","0.005","7.287","0.002","14.142","0.005","90","","113.436","0.008","90","","1264","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3,4-dichloro-2-(dimethylamino)-2-phenylbut-3-enenitrile","","- C12 H12 Cl2 N2 -","- C12 H12 Cl2 N2 -","- C48 H48 Cl8 N8 -","4","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0545","0.0521","","","0.1343","0.1369","","","","","","1.061","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156062","6.1663","0.0008","12.6929","0.0011","17.4233","0.0015","90","","90","","90","","1363.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-2-chloro-3-(2,3-dihydrobenzofuran-2-yl)-1-phenylprop-2-en-1-one","","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","- C68 H44 Cl4 O8 -","4","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0331","0.0316","","","0.0825","0.0853","","","","","","1.054","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156063","8.087","0.004","6.124","0.004","13.998","0.007","90","","91.49","0.009","90","","693","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-chloro-3-(2,3-dihydrobenzofuran-2-yl)-1-phenylprop-2-en-1-one","","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","- C34 H22 Cl2 O4 -","2","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0395","0.0328","","","0.0829","0.0866","","","","","","1.144","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156064","8.858","0.003","11.306","0.005","27.121","0.011","90","","90","","90","","2716.1","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-2-chloro-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C128 H104 Cl8 O16 -","8","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0391","0.036","","","0.1193","0.123","","","","","","1.068","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156065","8.8054","0.0008","11.6093","0.0011","26.7629","0.0015","90","","90","","90","","2735.8","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-2-chloro-3-(4-methylphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O -","- C16 H13 Cl O -","- C128 H104 Cl8 O8 -","8","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0436","0.0408","","","0.1088","0.1132","","","","","","1.057","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156066","14.28","0.02","9.823","0.014","9.912","0.014","90","","98.27","0.02","90","","1376","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-chloro-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C64 H52 Cl4 O8 -","4","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0534","0.0481","","","0.1886","0.1976","","","","","","1.685","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156067","29.849","0.0002","7.002","0.0002","7.688","0.0008","90","","90","","90","","1606.81","0.17","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Marek135 (Jian Qiang Huang)","","","- C16 H13 Br F N O4 -","- C16 H13 Br F N O4 -","- C64 H52 Br4 F4 N4 O16 -","4","1","","Huang, Jian Qiang; Nairoukh, Zackaria; Marek, Ilan","Electrophilic fluorination of stereodefined disubstituted silyl ketene hemiaminals en route to tertiary α-fluorinated carbonyl derivatives.","Organic & biomolecular chemistry","2018","16","7","1079","1082","10.1039/c8ob00067k","","","0.71073","MoKα","","0.058","0.0485","","","0.1317","0.1449","","","","","","1.122","","","","has coordinates","230796","2020-10-21","18:00:00",""
"7156068","12.091","0.004","12.635","0.005","25.986","0.01","90","","92.324","0.014","90","","3967","3","273.15","","273.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(Z)-4-((2,4-dimethoxypyrimidin-5-yl)(phenyl)methylene)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C184 H168 N24 O24 -","8","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.1165","0.0563","","","0.1404","0.1729","","","","","","1.038","","","","has coordinates","230720","2020-10-21","18:00:00",""
"7156069","10.117","0.003","13.923","0.004","12.307","0.004","90","","99.313","0.002","90","","1710.7","0.9","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","isoquinolin-4-yldiphenylmethanol","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.067","0.0458","","","0.1019","0.1131","","","","","","1.032","","","","has coordinates","230720","2020-10-21","18:00:00",""
"7156070","6.6454","0.0002","8.8659","0.0004","15.1694","0.0005","94.198","0.003","102.08","0.002","102.439","0.002","846.86","0.06","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","4-benzhydrylisoquinolin-1(2H)-one","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.0743","0.0458","","","0.1258","0.1416","","","","","","0.996","","","","has coordinates","230720","2020-10-21","18:00:00",""
"7156071","20.649","0.0017","10.8202","0.0008","20.1324","0.0017","90","","126.199","0.002","90","","3629.8","0.5","273","2","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-methyl-4-(3-oxo-1-phenyl-1,3-dihydroisobenzofuran-1-yl)isoquinolin-1(2H)-one","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C192 H136 N8 O24 -","8","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.0773","0.0405","","","0.1194","0.162","","","","","","1.035","","","","has coordinates","230720","2020-10-21","18:00:00",""
"7156072","20.704","0.0019","20.704","0.0019","7.2027","0.0007","90","","90","","90","","3087.5","0.5","133","2","133.15","","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C144 H192 O32 -","16","","","Yujie, Zhu; Huo, Jing qian; Fan, Zhijin; Wu, Qifan; Xiang, Li; Shuang, Zhou; Xiong, Lixia; Tatiana, Kalinina; Tania, Gluhareva","Efficient construction of bioactive trans-5A5B6C spirolactones via bicyclo[4.3.0] α-hydroxyketones","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C7OB02701J","","","0.71073","MoKα","","0.0419","0.034","","","0.0837","0.0892","","","","","","1.041","","","","has coordinates","205398","2020-10-21","18:00:00",""
"7156073","14.9764","0.0004","6.8786","0.0002","19.4161","0.0004","90","","90","","90","","2000.18","0.09","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H18 F3 N3 O4 -","- C21 H18 F3 N3 O4 -","- C84 H72 F12 N12 O16 -","4","0.5","","Utecht, Greta; Fruziński, Andrzej; Jasiński, Marcin","Polysubstituted 3-trifluoromethylpyrazoles: regioselective (3 + 2)-cycloaddition of trifluoroacetonitrile imines with enol ethers and functional group transformations.","Organic & biomolecular chemistry","2018","16","8","1252","1257","10.1039/c7ob03126b","","x-ray","1.54184","CuKα","","0.0468","0.0391","","","0.1106","0.1151","","","","","","1.093","","","","has coordinates,has disorder","230644","2020-10-21","18:00:00",""
"7156074","15.5438","0.0003","7.15478","0.00011","23.2224","0.0004","90","","90","","90","","2582.62","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-1-(p-Totyl)-3-trifluoromethyl-3a,4,5,6a-tetrahydro-1H-furo[2,3-c]pyrazole","","- C13 H13 F3 N2 O -","- C13 H13 F3 N2 O -","- C104 H104 F24 N16 O8 -","8","1","","Utecht, Greta; Fruziński, Andrzej; Jasiński, Marcin","Polysubstituted 3-trifluoromethylpyrazoles: regioselective (3 + 2)-cycloaddition of trifluoroacetonitrile imines with enol ethers and functional group transformations.","Organic & biomolecular chemistry","2018","16","8","1252","1257","10.1039/c7ob03126b","","x-ray","1.54184","CuKα","","0.0454","0.039","","","0.101","0.1049","","","","","","1.076","","","","has coordinates,has disorder","230644","2020-10-21","18:00:00",""
"7156075","15.05","0.0015","15.9438","0.0016","15.0274","0.0015","90","","113.382","0.002","90","","3309.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cl N2 O8 -","- C37 H35 Cl N2 O8 -","- C148 H140 Cl4 N8 O32 -","4","1","","Ren, Hong-Xia; Peng, Lin; Song, Xiang-Jia; Liao, Li-Guo; Zou, Ying; Tian, Fang; Wang, Li-Xin","Effective and diastereoselective preparation of dispiro[cyclopent-3'-ene]bisoxindoles via novel [3 + 2] annulation of isoindigos and MBH carbonates.","Organic & biomolecular chemistry","2018","16","8","1297","1304","10.1039/c7ob03009f","","","0.71073","MoKα","","0.0506","0.041","","","0.1064","0.1126","","","","","","1.026","","","","has coordinates","230646","2020-10-21","18:00:00",""
"7156076","6.3278","0.0005","13.3923","0.001","18.8088","0.0014","90","","90","","90","","1593.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4-Chlorophenyl)(3-phenylimidazo[1,2-a]pyridin-2-yl)methanone","","- C20 H13 Cl N2 O -","- C20 H13 Cl N2 O -","- C80 H52 Cl4 N8 O4 -","4","1","","Kour, Dilpreet; Gupta, Annah; Kapoor, Kamal K.; Gupta, Vivek K.; Rajnikant, ?; Singh, Deepika; Das, Parthasarathi","Iodine-NH<sub>4</sub>OAc mediated regioselective synthesis of 2-aroyl-3-arylimidazo[1,2-a]pyridines from 1,3-diaryl-prop-2-en-1-ones.","Organic & biomolecular chemistry","2018","16","8","1330","1336","10.1039/c7ob02750h","","","0.71073","MoKα","","0.0676","0.0425","","","0.0744","0.0841","","","","","","0.992","","","","has coordinates","230645","2020-10-21","18:00:00",""
"7156077","8.791","0.0001","8.791","0.0001","38.3254","0.0008","90","","90","","90","","2961.85","0.08","100","2","100","0.14","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H16 N2 O8 S -","- C12 H16 N2 O8 S -","- C96 H128 N16 O64 S8 -","8","1","","Vejlegaard, Kim; Wegeberg, Christina; McKee, Vickie; Wengel, Jesper","Novel conformationally constrained 2'-C-methylribonucleosides: synthesis and incorporation into oligonucleotides.","Organic & biomolecular chemistry","2018","16","8","1312","1321","10.1039/c7ob02663c","","x-ray","1.54184","CuKα","","0.0519","0.0465","","","0.1111","0.1146","","","","","","1.042","","","","has coordinates","230648","2020-10-21","18:00:00",""
"7156078","9.0606","0.0003","10.3676","0.0002","16.4849","0.0004","82.4953","0.0019","85.481","0.002","74.878","0.002","1480.49","0.07","100","2","100","0.14","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 N2 O8 S -","- C12 H16 N2 O8 S -","- C48 H64 N8 O32 S4 -","4","4","","Vejlegaard, Kim; Wegeberg, Christina; McKee, Vickie; Wengel, Jesper","Novel conformationally constrained 2'-C-methylribonucleosides: synthesis and incorporation into oligonucleotides.","Organic & biomolecular chemistry","2018","16","8","1312","1321","10.1039/c7ob02663c","","x-ray","1.54184","CuKα","","0.0606","0.0541","","","0.1383","0.1461","","","","","","1.054","","","","has coordinates,has disorder","230648","2020-10-21","18:00:00",""
"7156079","5.9509","0.0012","7.1789","0.0012","16.121","0.004","90","","90.821","0.018","90","","688.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S)-1-phenylethyl (2R)-2-{[(carbamoylamino)oxy]methyl}oxirane-2-carboxylate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","","Ahn, Yeong-Chan; Fischer, Conrad; van Belkum, Marco J.; Vederas, John C.","PLP-independent racemization: mechanistic and mutational studies of O-ureidoserine racemase (DcsC).","Organic & biomolecular chemistry","2018","16","7","1126","1133","10.1039/c7ob03013d","","","1.54178","CuKα","","0.1041","0.083","","","0.2308","0.256","","","","","","1.096","","","","has coordinates","230795","2020-10-21","18:00:00",""
"7156080","5.9238","0.0001","7.1787","0.0001","16.1585","0.0003","90","","90.8223","0.0008","90","","687.07","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R)-1-phenylethyl (2S)-2-{[(carbamoylamino)oxy]methyl}oxirane-2-carboxylate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","","Ahn, Yeong-Chan; Fischer, Conrad; van Belkum, Marco J.; Vederas, John C.","PLP-independent racemization: mechanistic and mutational studies of O-ureidoserine racemase (DcsC).","Organic & biomolecular chemistry","2018","16","7","1126","1133","10.1039/c7ob03013d","","","1.54178","CuKα","","0.0276","0.0268","","","0.0722","0.0729","","","","","","1.025","","","","has coordinates","230795","2020-10-21","18:00:00",""
"7156081","8.83","0.0002","14.378","0.0009","17.669","0.001","90","","90","","90","","2243.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Galia6 (Prathap)","","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C96 H128 N16 O8 -","4","1","","Darapaneni, Chandra Mohan; Kaniraj, Prathap Jeya; Maayan, Galia","Water soluble hydrophobic peptoids via a minor backbone modification.","Organic & biomolecular chemistry","2018","16","9","1480","1488","10.1039/c7ob02928d","","","0.71073","MoKα","","0.0456","0.0384","","","0.0931","0.0958","","","","","","1.069","","","","has coordinates","230800","2020-10-21","18:00:00",""
"7156082","11.243","0.002","30.552","0.007","7.3019","0.0016","90","","90","","90","","2508.2","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","methyl 4-(1-hydroxy-4-(trifluoromethyl)-1H-pyrrol-2-yl)benzoate","","- C13 H10 F3 N O3 -","- C13 H10 F3 N O3 -","- C104 H80 F24 N8 O24 -","8","1","","Zeng, Qin; Zhang, Li; Xiao, Yuanjing; Zhang, Junliang","Divergent access to N-hydroxypyrroles and isoxazoles via the gold(i)- or Brønsted acid-catalysed regioselective cyclization of N-(2-trifluoromethyl-3-alkynyl) oximes.","Organic & biomolecular chemistry","2018","16","8","1375","1380","10.1039/c7ob03107f","","","0.71073","MoKα","","0.1248","0.0565","","","0.1321","0.1726","","","","","","1.018","","","","has coordinates","230642","2020-10-21","18:00:00",""
"7156083","14.0956","0.0005","11.3444","0.0004","19.9859","0.0005","90","","134.705","0.002","90","","2271.42","0.15","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","4-((4-(trifluoromethyl)isoxazol-5-yl)methyl)benzonitrile","","- C12 H7 F3 N2 O -","- C12 H7 F3 N2 O -","- C96 H56 F24 N16 O8 -","8","2","","Zeng, Qin; Zhang, Li; Xiao, Yuanjing; Zhang, Junliang","Divergent access to N-hydroxypyrroles and isoxazoles via the gold(i)- or Brønsted acid-catalysed regioselective cyclization of N-(2-trifluoromethyl-3-alkynyl) oximes.","Organic & biomolecular chemistry","2018","16","8","1375","1380","10.1039/c7ob03107f","","","0.71073","MoKα","","0.0472","0.0343","","","0.0783","0.0862","","","","","","1.02","","","","has coordinates,has disorder","230642","2020-10-21","18:00:00",""
"7156084","11.476","0.0007","10.3255","0.0009","12.5157","0.0012","90","","95.523","0.008","90","","1476.2","0.2","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 Cl F3 N3 -","- C26 H19 Cl F3 N3 -","- C52 H38 Cl2 F6 N6 -","2","1","","Rahman, Abdul; Xie, En; Lin, Xufeng","Organocatalytic asymmetric synthesis of benzazepinoindole derivatives with trifluoromethylated quaternary stereocenters by chiral phosphoric acid catalysts.","Organic & biomolecular chemistry","2018","16","8","1367","1374","10.1039/c8ob00055g","","","0.71073","MoKα","","0.0741","0.047","","","0.0917","0.1035","","","","","","0.939","","","","has coordinates","230647","2020-10-21","18:00:00",""
"7156085","7.424","0.0004","8.7348","0.0005","10.9347","0.0006","87.855","0.001","80.444","0.001","88.215","0.001","698.53","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","1","","Peter, Clovis; Geoffroy, Philippe; Miesch, Michel","Intramolecular Morita-Baylis-Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores.","Organic & biomolecular chemistry","2018","16","8","1381","1389","10.1039/c7ob03124f","","","0.71073","MoKα","","0.0458","0.0397","","","0.1079","0.1142","","","","","","1.033","","","","has coordinates","230643","2020-10-21","18:00:00",""
"7156086","10.4839","0.0007","13.1593","0.001","21.3419","0.0015","90","","103.329","0.002","90","","2865","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C128 H160 O32 -","8","2","","Peter, Clovis; Geoffroy, Philippe; Miesch, Michel","Intramolecular Morita-Baylis-Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores.","Organic & biomolecular chemistry","2018","16","8","1381","1389","10.1039/c7ob03124f","","","0.71073","MoKα","","0.1224","0.0729","","","0.1384","0.16","","","","","","1.029","","","","has coordinates","230643","2020-10-21","18:00:00",""
"7156087","7.6576","0.0013","10.1949","0.0014","10.3237","0.0015","115.042","0.004","92.445","0.005","108.132","0.004","679.55","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cl F N2 O -","- C16 H10 Cl F N2 O -","- C32 H20 Cl2 F2 N4 O2 -","2","1","","Zhang, Yingchao; Wen, Chunxia; Li, Jizhen","C5-Regioselective C-H fluorination of 8-aminoquinoline amides and sulfonamides with Selectfluor under metal-free conditions.","Organic & biomolecular chemistry","2018","16","11","1912","1920","10.1039/c7ob03059b","","","0.71073","MoKα","","0.0645","0.0461","","","0.1166","0.1329","","","","","","1.044","","","","has coordinates","230866","2020-10-21","18:00:00",""
"7156088","13.672","0.003","17.459","0.004","23.66","0.005","90","","92.451","0.003","90","","5642","2","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C256 H224 N16 O16 -","8","2","","Wan, Ying; Wang, Hai-Qing; Xu, Meng-Meng; Mei, Guang-Jian; Shi, Feng","Direct C3-arylations of 2-indolylmethanols with tryptamines and tryptophols via an umpolung strategy.","Organic & biomolecular chemistry","2018","16","9","1536","1542","10.1039/c7ob03182c","","","0.71073","MoKα","","0.1154","0.0721","","","0.2058","0.2453","","","","","","1.013","","","","has coordinates,has disorder","230798","2020-10-21","18:00:00",""
"7156089","14.9636","0.0017","12.2439","0.0014","33.362","0.004","90","","96.5","0.002","90","","6073.1","1.2","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H35 N3 O2 -","- C36 H35 N3 O2 -","- C288 H280 N24 O16 -","8","2","","Wan, Ying; Wang, Hai-Qing; Xu, Meng-Meng; Mei, Guang-Jian; Shi, Feng","Direct C3-arylations of 2-indolylmethanols with tryptamines and tryptophols via an umpolung strategy.","Organic & biomolecular chemistry","2018","16","9","1536","1542","10.1039/c7ob03182c","","","0.71073","MoKα","","0.125","0.048","","","0.083","0.1171","","","","","","0.969","","","","has coordinates","230798","2020-10-21","18:00:00",""
"7156090","7.8606","0.0002","8.5158","0.0002","18.6068","0.0004","90","","98.771","0.001","90","","1230.96","0.05","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F3 N O2 -","- C13 H12 F3 N O2 -","- C52 H48 F12 N4 O8 -","4","1","","Achary, Raghavendra; Mathi, Gangadhar Rao; Kim, Seulgi; Hwang, Jong Yeon; Kim, Pilho","Grignard-mediated rearrangement of trifluoroacetyl from dihydroisoquinoline enamides to afford tertiary trifluoromethylcarbinols.","Organic & biomolecular chemistry","2018","16","9","1452","1456","10.1039/c7ob03079g","","","0.71073","MoKα","","0.0581","0.0439","","","0.1087","0.1199","","","","","","1.029","","","","has coordinates,has disorder","230799","2020-10-21","18:00:00",""
"7156091","6.9263","0.0001","8.7238","0.0001","22.5349","0.0004","90","","95.292","0.001","90","","1355.84","0.03","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F3 N2 O -","- C15 H15 F3 N2 O -","- C60 H60 F12 N8 O4 -","4","1","","Achary, Raghavendra; Mathi, Gangadhar Rao; Kim, Seulgi; Hwang, Jong Yeon; Kim, Pilho","Grignard-mediated rearrangement of trifluoroacetyl from dihydroisoquinoline enamides to afford tertiary trifluoromethylcarbinols.","Organic & biomolecular chemistry","2018","16","9","1452","1456","10.1039/c7ob03079g","","","0.71073","MoKα","","0.0382","0.0347","","","0.0847","0.0876","","","","","","1.067","","","","has coordinates","230799","2020-10-21","18:00:00",""
"7156092","10.474","0.005","10.511","0.005","13.935","0.006","87.432","0.008","75.479","0.007","71.405","0.008","1406.6","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 N2 -","- C32 H28 N2 -","- C64 H56 N4 -","2","1","","Li, Xiao-Fang; Zhang, Xing-Guo; Hu, Bo-Lun; Zhang, Xiao-Hong","Palladium-catalyzed dimerization of N-aryl propargylamines for the synthesis of 3-vinylquinolines.","Organic & biomolecular chemistry","2018","16","10","1736","1744","10.1039/c8ob00133b","","","0.71073","MoKα","","0.1034","0.0806","","","0.2169","0.2391","","","","","","0.992","","","","has coordinates","230593","2020-10-21","18:00:00",""
"7156093","9.8683","0.0007","10.505","0.0008","10.8101","0.0008","110.935","0.002","95.718","0.002","105.727","0.002","983.13","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O -","- C26 H21 N O -","- C52 H42 N2 O2 -","2","1","","Li, Xiao-Fang; Zhang, Xing-Guo; Hu, Bo-Lun; Zhang, Xiao-Hong","Palladium-catalyzed dimerization of N-aryl propargylamines for the synthesis of 3-vinylquinolines.","Organic & biomolecular chemistry","2018","16","10","1736","1744","10.1039/c8ob00133b","","","0.71073","MoKα","","0.0642","0.0442","","","0.1359","0.1514","","","","","","1.084","","","","has coordinates","230593","2020-10-21","18:00:00",""
"7156094","15.4619","0.0009","9.5378","0.0005","22.6171","0.0012","90","","92.5215","0.0013","90","","3332.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 N6 O6 S6 -","- C26 H38 N6 O6 S6 -","- C104 H152 N24 O24 S24 -","4","0.5","","Cholewiak, Agnieszka; Dobrzycki, Łukasz; Jurczak, Janusz; Ulatowski, Filip","Disulphide bond exchange inhibited by air - kinetic and thermodynamic products in a library of macrocyclic cysteine derivatives.","Organic & biomolecular chemistry","2018","16","14","2411","2420","10.1039/c7ob03123h","","","0.71073","MoKα","","0.0326","0.0275","","","0.0675","0.0702","","","","","","1.099","","","","has coordinates","230793","2020-10-21","18:00:00",""
"7156095","19.763","0.002","21.594","0.002","33.712","0.004","90","","90","","90","","14387","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C124.4 H156.62 N20 O25.4 S16.2 -","- C124.4 H156.62 N20 O25.4 S16.2 -","- C497.6 H626.48 N80 O101.6 S64.8 -","4","1","","Cholewiak, Agnieszka; Dobrzycki, Łukasz; Jurczak, Janusz; Ulatowski, Filip","Disulphide bond exchange inhibited by air - kinetic and thermodynamic products in a library of macrocyclic cysteine derivatives.","Organic & biomolecular chemistry","2018","16","14","2411","2420","10.1039/c7ob03123h","","","0.71073","MoKα","","0.1545","0.0964","","","0.2197","0.2599","","","","","","1.091","","","","has coordinates,has disorder","230793","2020-10-21","18:00:00",""
"7156096","12.0777","0.0004","21.0362","0.0006","14.3712","0.0005","90","","107.602","0.003","90","","3480.3","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48 N4 O7 -","- C31 H47.5 N4 O7 -","- C124 H190 N16 O28 -","4","2","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.1003","0.0828","","","0.2174","0.236","","","","","","1.059","","","","has coordinates","230594","2020-10-21","18:00:00",""
"7156097","10.958","0.002","16.851","0.003","18.872","0.004","90","","101.84","0.03","90","","3410.6","1.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H50 N4 O9 -","- C31 H50 N4 O9 -","- C124 H200 N16 O36 -","4","2","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.0367","0.0363","","","0.0962","0.0964","","","","","","1.045","","","","has coordinates,has disorder","230594","2020-10-21","18:00:00",""
"7156098","20.8114","0.0001","12.8324","0.0001","23.6124","0.0002","90","","100.846","0.001","90","","6193.29","0.08","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C112 H199 N16 O28 -","- C112 H199 N16 O28 -","- C224 H398 N32 O56 -","2","1","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.0803","0.08","","","0.2351","0.2355","","","","","","1.064","","","","has coordinates,has disorder","230594","2020-10-21","18:00:00",""
"7156099","7.6656","0.0016","19.475","0.004","10.707","0.002","90","","93.755","0.004","90","","1595","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O4 S -","- C17 H14 N2 O4 S -","- C68 H56 N8 O16 S4 -","4","1","","Zeng, Fanxun; Zhang, Letian; Shao, Xusheng; Li, Zhong; Xu, Xiaoyong","Catalyst-free synthesis of thiazolidines via sequential hydrolysis/rearrangement reactions of 5-arylidenethiazolidin-4-ones at room temperature.","Organic & biomolecular chemistry","2018","16","11","1932","1938","10.1039/c7ob02924a","","","0.71073","MoKα","","0.0607","0.0483","","","0.1196","0.1268","","","","","","1.053","","","","has coordinates","230867","2020-10-21","18:00:00",""
"7156100","8.576","0.0001","9.059","0.0001","16.3","0.0003","81.049","0.001","89.263","0.001","78.661","0.001","1226.3","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 Co2 O9 -","- C25 H22 Co2 O9 -","- C50 H44 Co4 O18 -","2","1","","Montaña, Ángel M; Ponzano, Stefano; Sanasi, Maria-Filomena; Kociok-Köhn, Gabriele","Synthesis of the 10-oxabicyclo[5.2.1]decane framework present in bioactive natural products.","Organic & biomolecular chemistry","2018","16","9","1557","1580","10.1039/c8ob00194d","","","0.71073","MoKα","","0.0448","0.0305","","","0.0712","0.0763","","","","","","1.012","","","","has coordinates","230802","2020-10-21","18:00:00",""
"7156101","8.1795","0.0014","11.924","0.007","14.235","0.002","108.105","0.0016","96.245","0.0016","108.712","0.0015","1215.9","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N O2 -","- C32 H23 N O2 -","- C64 H46 N2 O4 -","2","1","","Wang, Wenhui; Sun, Jinwei; Hu, Huayou; Liu, Yun","Copper-catalyzed aerobic cyclizations of tetrahydroisoquinolines with bromoketones and alkenes for the synthesis of 5,6-dihydropyrrolo[2,1-a]isoquinolines.","Organic & biomolecular chemistry","2018","16","10","1651","1658","10.1039/c7ob03048g","","","0.71073","MoKα","","0.0886","0.0517","","","0.1056","0.1145","","","","","","0.991","","","","has coordinates","230588","2020-10-21","18:00:00",""
"7156102","8.8729","0.0011","9.3458","0.0012","10.6991","0.0014","68.971","0.001","88.64","0.001","69.793","0.001","772.05","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H11 Cl N2 O2 -","- C20 H11 Cl N2 O2 -","- C40 H22 Cl2 N4 O4 -","2","1","","Zhang, Yan; Liu, Jian-Quan; Wang, Xiang-Shan","An efficient synthesis of 16H-dibenzo[2,3:6,7][1,4]oxazepino[5,4-b]quinazolin-16-ones via an Ullmann reaction catalyzed by CuI.","Organic & biomolecular chemistry","2018","16","10","1679","1685","10.1039/c8ob00005k","","","0.71073","MoKα","","0.0432","0.0356","","","0.0913","0.0961","","","","","","1.048","","","","has coordinates","230586","2020-10-21","18:00:00",""
"7156103","9.584","0.005","9.866","0.004","11.366","0.006","80.384","0.009","84.059","0.012","66.028","0.01","967.5","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H13 Cl F3 N3 O -","- C23 H13 Cl F3 N3 O -","- C46 H26 Cl2 F6 N6 O2 -","2","1","","Donthiboina, Kavitha; Namballa, Hari Krishna; Shaik, Siddiq Pasha; Nanubolu, Jagadeesh Babu; Shankaraiah, Nagula; Kamal, Ahmed","Iodine promoted dual oxidative C(sp<sup>3</sup>)-H amination of 2-methyl-3-arylquinazolin-4(3H)-ones: a facile route to 1,4-diarylimidazo[1,5-a]quinazolin-5(4H)-ones.","Organic & biomolecular chemistry","2018","16","10","1720","1727","10.1039/c7ob02677c","","","0.71073","MoKα","","0.0515","0.0424","","","0.1173","0.1245","","","","","","1.047","","","","has coordinates","230585","2020-10-21","18:00:00",""
"7156104","4.7875","0.0004","10.5072","0.0009","14.2488","0.0015","71.68","0.009","88.646","0.008","76.869","0.007","661.76","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 F3 N O3 S -","- C13 H8 F3 N O3 S -","- C26 H16 F6 N2 O6 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.1408","0.118","","","0.2534","0.2653","","","","","","1.334","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156105","12.2391","0.0003","8.0497","0.0002","13.6415","0.0004","90","","91.602","0.002","90","","1343.45","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 F3 O4 S -","- C15 H7 F3 O4 S -","- C60 H28 F12 O16 S4 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.0743","0.066","","","0.1733","0.1861","","","","","","1.066","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156106","9.0948","0.0007","20.0144","0.0016","7.8362","0.0006","90","","106.353","0.009","90","","1368.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C68 H48 O12 S4 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0754","0.0546","","","0.1575","0.1666","","","","","","0.972","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156107","8.0423","0.0004","8.0926","0.0005","9.4378","0.0006","68.147","0.006","84.221","0.005","72.377","0.005","543.3","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H5 F3 O3 S -","- C11 H5 F3 O3 S -","- C22 H10 F6 O6 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0503","0.0392","","","0.0973","0.1055","","","","","","1.04","","","","has coordinates,has disorder","230590","2020-10-21","18:00:00",""
"7156108","7.8595","0.0005","7.9836","0.0005","12.2941","0.0007","89.939","0.005","74.827","0.005","68.477","0.006","688.73","0.08","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 Br O2 S -","- C16 H9 Br O2 S -","- C32 H18 Br2 O4 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0889","0.0426","","","0.0711","0.0846","","","","","","1.029","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156109","4.6767","0.0001","19.3071","0.0003","14.5648","0.0002","90","","97.949","0.001","90","","1302.47","0.04","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 F6 O2 S2 -","- C12 H4 F6 O2 S2 -","- C48 H16 F24 O8 S8 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.042","0.0347","","","0.0874","0.0937","","","","","","1.049","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156110","7.4794","0.0007","7.9785","0.0008","11.9788","0.001","95.823","0.008","102.31","0.008","113.691","0.009","625.39","0.12","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 F3 O2 S -","- C15 H7 F3 O2 S -","- C30 H14 F6 O4 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0589","0.0393","","","0.0892","0.1","","","","","","1.069","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156111","14.5769","0.0004","11.1576","0.0002","31.0437","0.0007","90","","102.048","0.002","90","","4937.8","0.2","200","2","200","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H9 F3 O3 S -","- C13 H9 F3 O3 S -","- C208 H144 F48 O48 S16 -","16","2","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.0933","0.083","","","0.2014","0.2103","","","","","","1.026","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156112","7.2227","0.0006","8.4064","0.0007","12.3348","0.0009","75.046","0.007","76.516","0.007","66.783","0.008","657.64","0.1","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 O2 S -","- C17 H12 O2 S -","- C34 H24 O4 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0562","0.0386","","","0.0848","0.0939","","","","","","1.036","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156113","19.2151","0.0006","7.8797","0.0002","7.1525","0.0002","90","","97.718","0.003","90","","1073.14","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H5 F3 O2 S -","- C11 H5 F3 O2 S -","- C44 H20 F12 O8 S4 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0726","0.0658","","","0.1802","0.1866","","","","","","1.059","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156114","14.1466","0.0018","12.4232","0.0017","18.979","0.002","90","","90","","90","","3335.5","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H14 O4 S -","- C21 H14 O4 S -","- C168 H112 O32 S8 -","8","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0791","0.0445","","","0.0958","0.1137","","","","","","1.047","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156115","17.823","0.002","6.9975","0.0007","27.834","0.004","90","","100.799","0.005","90","","3409.9","0.7","150","","150","","","","","","","","synthesis as described","3","C 1 2 1","C 2y","5","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","2","","Henrion, S.; Macé, A; Vallejos, M. M.; Roisnel, T.; Carboni, B.; Villalgordo, J. M.; Carreaux, F.","Asymmetric synthesis of trans-4,5-disubstituted γ-butyrolactones involving a key allylboration step. First access to (-)-nicotlactone B and (-)-galbacin.","Organic & biomolecular chemistry","2018","16","10","1672","1678","10.1039/c8ob00101d","","x-ray","0.71073","MoKα","","0.0723","0.0468","","","0.101","0.1107","","","","","","1.024","","","","has coordinates","230595","2020-10-21","18:00:00",""
"7156116","7.5946","0.0003","13.4938","0.0006","15.8269","0.0007","90","","90","","90","","1621.94","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C68 H56 Cl4 N4 O20 -","4","1","","Maity, Rajendra; Pan, Subhas Chandra","Organocatalytic asymmetric Michael/hemiacetalization/acyl transfer reaction of α-nitroketones with o-hydroxycinnamaldehydes: synthesis of 2,4-disubstituted chromans.","Organic & biomolecular chemistry","2018","16","9","1598","1608","10.1039/c8ob00078f","","","0.71073","MoKα","","0.0577","0.0433","","","0.1073","0.1193","","","","","","0.991","","","","has coordinates","230801","2020-10-21","18:00:00",""
"7156117","21.1","0.0011","23.1109","0.0012","23.201","0.0012","90","","112.784","0.002","90","","10430.9","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H56 N4 O12 -","- C55 H56 N4 O12 -","- C440 H448 N32 O96 -","8","2","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.0962","0.0532","","","0.1427","0.1586","","","","","","1.069","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156118","11.9894","0.0006","21.2887","0.001","21.7173","0.0011","90","","93.3","0.002","90","","5533.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H68 N4 O12 -","- C61 H68 N4 O12 -","- C244 H272 N16 O48 -","4","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.1511","0.0521","","","0.1071","0.1492","","","","","","0.995","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156119","20.9082","0.0003","23.7424","0.0004","23.9838","0.0004","90","","90","","90","","11905.8","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C63 H68 N6 O12 -","- C63 H68 N6 O12 -","- C504 H544 N48 O96 -","8","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","x-ray","1.54184","CuKα","","0.1236","0.1012","","","0.3309","0.3593","","","","","","1.436","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156120","12.346","0.0005","19.5371","0.0007","22.8661","0.0009","106.561","0.001","102.458","0.001","97.147","0.001","5059.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H60 N4 O12 -","- C57 H60 N4 O12 -","- C228 H240 N16 O48 -","4","2","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.1031","0.058","","","0.1453","0.1776","","","","","","1.029","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156121","11.0365","0.0007","16.7007","0.001","17.2058","0.001","93.872","0.002","92.106","0.002","108.051","0.002","3002.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H68 Cl4 N4 O12 -","- C61 H68 Cl4 N4 O12 -","- C122 H136 Cl8 N8 O24 -","2","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.1276","0.0896","","","0.2567","0.2999","","","","","","1.018","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156122","11.5406","0.0001","19.4516","0.0002","23.9649","0.0002","90","","101.455","0.001","90","","5272.56","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H64 N4 O12 -","- C59 H64 N4 O12 -","- C236 H256 N16 O48 -","4","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","x-ray","1.54184","CuKα","","0.0522","0.0436","","","0.1176","0.1226","","","","","","1.042","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156123","13.1925","0.0012","13.3019","0.0012","7.7183","0.0007","90","","100.757","0.001","90","","1330.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F3 O4 S -","- C13 H9 F3 O4 S -","- C52 H36 F12 O16 S4 -","4","1","","Wang, Yajun; Wu, Rui; Zhao, Shijun; Quan, Zhengjun; Su, Yingpeng; Huo, Congde","Air promoted annulation of thiophenols with alkynes leading to benzothiophenes.","Organic & biomolecular chemistry","2018","16","10","1667","1671","10.1039/c8ob00010g","","","0.71073","MoKα","","0.0496","0.0448","","","0.1386","0.1462","","","","","","1","","","","has coordinates","230589","2020-10-21","18:00:00",""
"7156124","8.16871","0.00017","8.25025","0.00017","23.3395","0.0004","90","","90","","90","","1572.94","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O7 -","- C17 H22 O7 -","- C68 H88 O28 -","4","1","","Zhang, Zhan-Xin; Wu, Pei-Qian; Li, Hui-Hong; Qi, Feng-Ming; Fei, Dong-Qing; Hu, Qiao-Ling; Liu, Ying-Hong; Huang, Xiao-Ling","Norcrassin A, a novel C<sub>16</sub> tetranorditerpenoid, and bicrotonol A, an unusual dimeric labdane-type diterpenoid, from the roots of Croton crassifolius.","Organic & biomolecular chemistry","2018","16","10","1745","1750","10.1039/c7ob02991h","","","1.54184","CuKα","","0.0408","0.0405","","","0.108","0.1086","","","","","","1.049","","","","has coordinates","230592","2020-10-21","18:00:00",""
"7156125","23.0565","0.001","6.6594","0.0002","26.3805","0.0011","90","","117.81","0.006","90","","3582.7","0.3","173","0.1","173","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H68 O4 -","- C40 H68 O4 -","- C160 H272 O16 -","4","1","","Zhang, Zhan-Xin; Wu, Pei-Qian; Li, Hui-Hong; Qi, Feng-Ming; Fei, Dong-Qing; Hu, Qiao-Ling; Liu, Ying-Hong; Huang, Xiao-Ling","Norcrassin A, a novel C<sub>16</sub> tetranorditerpenoid, and bicrotonol A, an unusual dimeric labdane-type diterpenoid, from the roots of Croton crassifolius.","Organic & biomolecular chemistry","2018","16","10","1745","1750","10.1039/c7ob02991h","","","1.54184","CuKα","","0.0658","0.056","","","0.1325","0.1416","","","","","","1.002","","","","has coordinates","230592","2020-10-21","18:00:00",""
"7156126","10.4093","0.0012","6.2017","0.0007","15.4242","0.0017","90","","92.398","0.002","90","","994.84","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Zhu, Yanshuo; Guo, Jia; Jin, Shaojing; Guo, Jiaomei; Bai, Xuguan; Wang, Qilin; Bu, Zhanwei","Construction of bridged cyclic N,O-ketal spirooxindoles through a Michael addition/N,O-ketalization sequence.","Organic & biomolecular chemistry","2018","16","10","1751","1759","10.1039/c8ob00306h","","","0.71073","MoKα","","0.0366","0.0345","","","0.0878","0.0895","","","","","","1.002","","","","has coordinates","230591","2020-10-21","18:00:00",""
"7156127","11.3575","0.0004","12.9479","0.0006","15.7889","0.0005","81.909","0.003","88.938","0.003","72.873","0.003","2196.15","0.15","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C93 H88 N8 O19 S4 -","- C93 H88 N8 O19 S4 -","- C93 H88 N8 O19 S4 -","1","1","","Wang, Zhen-Hua; You, Yong; Chen, Yong-Zheng; Xu, Xiao-Ying; Yuan, Wei-Cheng","An asymmetric organocatalytic vinylogous Mannich reaction of 3-methyl-5-arylfuran-2(3H)-ones with N-(2-pyridinesulfonyl) imines: enantioselective synthesis of δ-amino γ,γ-disubstituted butenolides.","Organic & biomolecular chemistry","2018","16","10","1636","1640","10.1039/c7ob03117c","","x-ray","1.54184","CuKα","","0.0528","0.0458","","","0.1139","0.1208","","","","","","1.026","","","","has coordinates,has disorder","230596","2020-10-21","18:00:00",""
"7156128","8.7419","0.0006","10.7719","0.0007","10.9487","0.0007","65.802","0.007","70.156","0.006","75.68","0.006","877.51","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3'-(4- methoxyphenyl)-1',2-dimethyl-1'H,2H-3,4'-bipyrazole-5-carboxylate","","- C18 H20 N4 O3 -","- C18 H20 N4 O3 -","- C36 H40 N8 O6 -","2","1","","Obydennov, D. L.; Khammatova, L. R.; Eltsov, O. S.; Sosnovskikh, V. Y.","A chemo- and regiocontrolled approach to bipyrazoles and pyridones via the reaction of ethyl 5-acyl-4-pyrone-2-carboxylates with hydrazines.","Organic & biomolecular chemistry","2018","16","10","1692","1707","10.1039/c7ob02725g","","","0.71073","MoKα","","0.0856","0.0536","","","0.1565","0.1901","","","","","","1.009","","","","has coordinates,has disorder","230587","2020-10-21","18:00:00",""
"7156129","8.521","0.005","10.998","0.005","23.489","0.01","90","","93.24","0.04","90","","2197.7","1.9","295","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C27 H22 N4 O2 -","- C27 H22 N4 O2 -","- C108 H88 N16 O8 -","4","2","","Obydennov, D. L.; Khammatova, L. R.; Eltsov, O. S.; Sosnovskikh, V. Y.","A chemo- and regiocontrolled approach to bipyrazoles and pyridones via the reaction of ethyl 5-acyl-4-pyrone-2-carboxylates with hydrazines.","Organic & biomolecular chemistry","2018","16","10","1692","1707","10.1039/c7ob02725g","","","1.54184","CuKα","","0.0563","0.045","","","0.1162","0.125","","","","","","1.006","","","","has coordinates,has disorder","230587","2020-10-21","18:00:00",""
"7156130","8.803","0.006","10.863","0.006","12.961","0.011","84.4","0.06","71.46","0.07","80.99","0.05","1159.1","1.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5'-(4-chlorophenyl)-1',2-diphenyl-1'H,2H-3,4'-bipyrazole-5-carboxylate","","- C27 H21 Cl N4 O2 -","- C27 H21 Cl N4 O2 -","- C54 H42 Cl2 N8 O4 -","2","1","","Obydennov, D. L.; Khammatova, L. R.; Eltsov, O. S.; Sosnovskikh, V. Y.","A chemo- and regiocontrolled approach to bipyrazoles and pyridones via the reaction of ethyl 5-acyl-4-pyrone-2-carboxylates with hydrazines.","Organic & biomolecular chemistry","2018","16","10","1692","1707","10.1039/c7ob02725g","","","1.54184","CuKα","","0.0599","0.0496","","","0.1287","0.1367","","","","","","1","","","","has coordinates","230587","2020-10-21","18:00:00",""
"7156131","8.9797","0.0002","17.5384","0.0003","9.3882","0.0002","90","","108.488","0.002","90","","1402.24","0.05","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N3 -","- C18 H13 N3 -","- C72 H52 N12 -","4","1","","Guan, Qianqian; Sun, Qi; Wen, Lixian; Zha, Zhenggen; Yang, Yu; Wang, Zhiyong","The synthesis of benzimidazoles via a recycled palladium catalysed hydrogen transfer under mild conditions.","Organic & biomolecular chemistry","2018","16","12","2088","2096","10.1039/c8ob00323h","","","1.54184","CuKα","","0.0403","0.036","","","0.0983","0.1028","","","","","","1.036","","","","has coordinates","230877","2020-10-21","18:00:00",""
"7156132","13.917","0.003","10.417","0.002","16.611","0.004","90","","103.506","0.004","90","","2341.6","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Br N O Se -","- C27 H20 Br N O Se -","- C108 H80 Br4 N4 O4 Se4 -","4","1","","Li, Xiwang; He, Pei; Zhou, Hai-Bing; Dong, Chune","One-step pathway to selenoisobenzofuran-1(3H)-imine derivatives through highly selective selenocyclization of olefinic amides with benzeneselenyl chloride.","Organic & biomolecular chemistry","2018","16","12","2150","2155","10.1039/c8ob00179k","","","0.71073","MoKα","","0.1138","0.0522","","","0.1046","0.1282","","","","","","0.984","","","","has coordinates,has disorder","230876","2020-10-21","18:00:00",""
"7156133","5.77529","0.00012","22.1018","0.0005","14.0999","0.0003","90","","101.182","0.0019","90","","1765.61","0.07","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl F3 N3 O2 -","- C19 H13 Cl F3 N3 O2 -","- C76 H52 Cl4 F12 N12 O8 -","4","1","","Lim, Bumhee; Park, Seunggun; Park, Jae Hyun; Gam, Jongsik; Kim, Sanghee; Yang, Jung Woon; Lee, Jeeyeon","A metal-free and mild approach to 1,3,4-oxadiazol-2(3H)-ones via oxidative C-C bond cleavage using molecular oxygen.","Organic & biomolecular chemistry","2018","16","12","2105","2113","10.1039/c7ob03188b","","x-ray","1.54184","CuKα","","0.0647","0.0605","","","0.1087","0.111","","","","","","1.118","","","","has coordinates,has disorder","230878","2020-10-21","18:00:00",""
"7156134","5.781","0.0002","8.5176","0.0003","11.7466","0.0004","102.453","0.003","90.5","0.002","98.113","0.002","558.69","0.03","295.6","0.2","295.6","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O2 -","- C11 H8 Cl N3 O2 -","- C22 H16 Cl2 N6 O4 -","2","1","","Lim, Bumhee; Park, Seunggun; Park, Jae Hyun; Gam, Jongsik; Kim, Sanghee; Yang, Jung Woon; Lee, Jeeyeon","A metal-free and mild approach to 1,3,4-oxadiazol-2(3H)-ones via oxidative C-C bond cleavage using molecular oxygen.","Organic & biomolecular chemistry","2018","16","12","2105","2113","10.1039/c7ob03188b","","x-ray","1.54184","CuKα","","0.0366","0.0345","","","0.0966","0.0989","","","","","","1.054","","","","has coordinates","230878","2020-10-21","18:00:00",""
"7156135","16.772","0.003","9.0637","0.0015","25.832","0.004","90","","90","","90","","3926.9","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C168 H232 N24 O24 -","8","1","","Wang, Hui; Fang, Bin; Zhou, Le; Li, Di; Kong, Lin; Uvdal, Kajsa; Hu, Zhangjun","A reversible and highly selective two-photon fluorescent ""on-off-on"" probe for biological Cu<sup>2+</sup> detection.","Organic & biomolecular chemistry","2018","16","13","2264","2268","10.1039/c8ob00257f","","","0.71073","MoKα","","0.0473","0.0365","","","0.0965","0.1026","","","","","","1.012","","","","has coordinates","230786","2020-10-21","18:00:00",""
"7156136","5.5524","0.0017","7.337","0.002","9.871","0.003","90","","91.581","0.007","90","","402","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C14 H22 N6 O2 -","2","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.0478","0.0359","","","0.1198","0.1336","","","","","","1.038","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156137","10.523","0.005","10.046","0.005","11.683","0.005","90","0.005","103.959","0.005","90","0.005","1198.6","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 O3 Si -","- C26 H32 O3 Si -","- C52 H64 O6 Si2 -","2","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.0406","0.0352","","","0.0878","0.0917","","","","","","1.033","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156138","10.558","0.003","39.473","0.012","11.458","0.004","90","","90","","90","","4775","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N3 O2 Si -","- C25 H33 N3 O2 Si -","- C200 H264 N24 O16 Si8 -","8","4","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.158","0.1078","","","0.2381","0.2781","","","","","","1.052","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156139","8.2816","0.0014","11.7445","0.0019","25.888","0.004","90","","90","","90","","2518","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 Si -","- C27 H34 O3 Si -","- C108 H136 O12 Si4 -","4","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.116","0.0568","","","0.1161","0.1396","","","","","","0.981","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156140","8.5588","0.0006","6.9137","0.0005","15.0132","0.0011","90","","99.591","0.002","90","","875.96","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 Cl O -","- C20 H29 Cl O -","- C40 H58 Cl2 O2 -","2","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0487","0.0364","","","0.0829","0.0885","","","","","","1.019","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156141","7.5312","0.0003","20.9084","0.0008","21.2244","0.0009","90","","90","","90","","3342.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 Cl O2 -","- C19 H29 Cl O2 -","- C152 H232 Cl8 O16 -","8","2","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0282","0.0265","","","0.0747","0.076","","","","","","1.199","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156142","13.2696","0.0016","7.0208","0.0008","28.171","0.003","90","","97.17","0.002","90","","2604","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H45 Cl O2 Si -","- C26 H45 Cl O2 Si -","- C104 H180 Cl4 O8 Si4 -","4","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0599","0.0576","","","0.1426","0.1434","","","","","","1.275","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156143","7.1254","0.0005","11.6665","0.0008","10.8645","0.0008","90","","103.497","0.002","90","","878.21","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 Cl O2 -","- C19 H29 Cl O2 -","- C38 H58 Cl2 O4 -","2","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0565","0.0426","","","0.0935","0.1013","","","","","","0.988","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156144","7.4333","0.0017","13.538","0.003","16.411","0.004","90","","90","","90","","1651.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl O2 -","- C19 H27 Cl O2 -","- C76 H108 Cl4 O8 -","4","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0316","0.0284","","","0.0711","0.0731","","","","","","1.045","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156145","11.149","0.002","11.921","0.002","18.456","0.004","90","","90","","90","","2452.9","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 O2 P -","- C33 H25 O2 P -","- C132 H100 O8 P4 -","4","1","","Yin, Yao; Weng, Wei-Zhi; Sun, Jian-Guo; Zhang, Bo","Eosin Y-catalyzed, visible-light-promoted carbophosphinylation of allylic alcohols via a radical neophyl rearrangement.","Organic & biomolecular chemistry","2018","16","13","2356","2361","10.1039/C8OB00231B","","","0.71073","MoKα","","0.0505","0.0459","","","0.1252","0.1304","","","","","","1.033","","","","has coordinates","230784","2020-10-21","18:00:00",""
"7156146","11.586","0.003","15.822","0.003","8.7845","0.0018","90","","97.997","0.008","90","","1594.7","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde","Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.","Organic & biomolecular chemistry","2018","16","14","2456","2463","10.1039/C8OB00304A","","","0.71073","MoKα","","0.1739","0.0683","","","0.1135","0.1401","","","","","","1.048","","","","has coordinates","230790","2020-10-21","18:00:00",""
"7156147","12.836","0.007","8.234","0.003","13.79","0.01","90","","117.679","0.017","90","","1290.7","1.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde","Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.","Organic & biomolecular chemistry","2018","16","14","2456","2463","10.1039/C8OB00304A","","","0.71073","MoKα","","0.0896","0.0595","","","0.1671","0.1884","","","","","","1.082","","","","has coordinates","230790","2020-10-21","18:00:00",""
"7156148","31.267","0.008","8.132","0.003","22.702","0.006","90","","90","","90","","5772","3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C272 H224 N32 O16 S16 -","16","2","","Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde","Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.","Organic & biomolecular chemistry","2018","16","14","2456","2463","10.1039/C8OB00304A","","","0.71073","MoKα","","0.2036","0.0799","","","0.1818","0.2381","","","","","","1.036","","","","has coordinates","230790","2020-10-21","18:00:00",""
"7156149","11.9068","0.0006","10.5151","0.0005","18.2449","0.0008","90","","108.882","0.001","90","","2161.36","0.18","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl [(2,2-diphenyl-3,4-dihydro-2H-chromen-4-yl)methyl]malonate","","- C27 H26 O5 -","- C27 H26 O5 -","- C108 H104 O20 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0438","0.0389","","","0.1026","0.1065","","","","","","1.042","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156150","8.0373","0.0004","17.6384","0.0009","10.4852","0.0005","90","","97.079","0.001","90","","1475.1","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 2-[5-bromo-2-(methoxymethoxy)phenyl]cyclopropane-1,1-dicarboxylate","","- C14 H15 Br O6 -","- C14 H15 Br O6 -","- C56 H60 Br4 O24 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0328","0.0255","","","0.0633","0.0662","","","","","","1.052","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156151","8.4387","0.0011","8.5555","0.0011","9.4816","0.0012","97.917","0.002","100.06","0.002","92.556","0.002","665.94","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2-(5-bromo-2-hydroxyphenyl)cyclopropane-1,1-dicarboxylate","","- C13 H13 Br O5 -","- C13 H13 Br O5 -","- C26 H26 Br2 O10 -","2","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0337","0.0273","","","0.0643","0.067","","","","","","1.042","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156152","8.835","0.002","6.916","0.002","24.341","0.01","90","","90.48","0.03","90","","1487.3","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-[5-chloro-2-(methoxymethoxy)phenyl]cyclopropane-1,1-dicarboxylate","","- C15 H17 Cl O6 -","- C15 H17 Cl O6 -","- C60 H68 Cl4 O24 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0447","0.0314","","","0.0821","0.0886","","","","","","1.04","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156153","9.594","0.002","8.102","0.002","17.944","0.006","90","","104.5","0.02","90","","1350.4","0.6","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-(5-chloro-2-hydroxyphenyl)cyclopropane-1,1-dicarboxylate","","- C13 H13 Cl O5 -","- C13 H13 Cl O5 -","- C52 H52 Cl4 O20 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0878","0.0456","","","0.115","0.133","","","","","","1.025","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156154","9.6172","0.0005","18.6822","0.001","10.3451","0.0005","90","","109.39","0.001","90","","1753.28","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-[5-bromo-3-methoxy-2-(methoxymethoxy)phenyl]cyclopropane-1,1-dicarboxylate","","- C16 H19 Br O7 -","- C16 H19 Br O7 -","- C64 H76 Br4 O28 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0425","0.0338","","","0.0924","0.0969","","","","","","1.05","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156155","8.2614","0.0001","11.369","0.0002","10.8661","0.0002","90","","106.297","0.0004","90","","979.58","0.03","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H15 N3 O6 S -","- C21 H15 N3 O6 S -","- C42 H30 N6 O12 S2 -","2","1","","K, Nagarjuna Reddy; U, Subhadra; B, Sridhar; B V, Subba Reddy","Ru(ii)-Catalyzed spirocyclization of aryl N-sulfonyl ketimines with aryl isocyanates through an aromatic C-H bond activation.","Organic & biomolecular chemistry","2018","16","14","2522","2526","10.1039/C7OB03198J","","","0.71073","MoKα","","0.0391","0.0363","","","0.099","0.1015","","","","","","1.058","","","","has coordinates","230787","2020-10-21","18:00:00",""
"7156156","6.5612","0.0003","9.2289","0.0004","15.5715","0.0007","95.807","0.004","94.598","0.004","98.71","0.004","922.86","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N4 O6 S -","- C15 H24 N4 O6 S -","- C30 H48 N8 O12 S2 -","2","1","","Matić, Josipa; Nekola, Irena; Višnjevac, Aleksandar; Kobetić, Renata; Martin-Kleiner, Irena; Kralj, Marijeta; Žinić, Biserka","C5-Morpholinomethylation of N1-sulfonylcytosines by a one-pot microwave assisted Mannich reaction.","Organic & biomolecular chemistry","2018","16","15","2678","2687","10.1039/c8ob00253c","","x-ray","1.54184","CuKα","","0.0577","0.0537","","","0.1453","0.1531","","","","","","1.001","","","","has coordinates","230816","2020-10-21","18:00:00",""
"7156157","10.94","0.004","23.899","0.008","10.129","0.003","90","","96.474","0.006","90","","2631.4","1.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 O5 -","- C27 H40 O5 -","- C108 H160 O20 -","4","1","","Qi, Jifeng; Deng, Ziyang; Huang, Bo; Cui, Sunliang","Metal-free α-alkylation of alcohols with para-quinone methides.","Organic & biomolecular chemistry","2018","16","15","2762","2767","10.1039/c8ob00568k","","","0.71073","MoKα","","0.091","0.072","","","0.2191","0.2426","","","","","","0.989","","","","has coordinates","230815","2020-10-21","18:00:00",""
"7156158","7.0746","0.0017","8.499","0.002","10.459","0.002","92.779","0.006","104.832","0.006","93.958","0.006","605","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 F2 O3 -","- C16 H10 F2 O3 -","- C32 H20 F4 O6 -","2","1","","Wang, Rui; Han, Jie; Li, Chenchen; Zhang, Jie; Liang, Yong; Wang, Tao; Zhang, Zunting","One-pot synthesis of 3-fluoroflavones via 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-diones and selectfluor at room temperature.","Organic & biomolecular chemistry","2018","16","14","2479","2488","10.1039/C8OB00135A","","","1.54178","CuKα","","0.0431","0.043","","","0.1112","0.1113","","","","","","1.096","","","","has coordinates","230788","2020-10-21","18:00:00",""
"7156159","16.3273","0.0007","16.8364","0.0008","17.1138","0.0008","89.826","0.002","66.421","0.002","65.168","0.002","3835.3","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","CV835","","","- C24 H24 O -","- C24 H24 O -","- C192 H192 O8 -","8","4","","Virumbrales, Cintia; Suárez-Pantiga, Samuel; Solas, Marta; Fernández-Rodríguez, Manuel A; Sanz, Roberto","Gold(i)-catalyzed diastereoselective synthesis of 1-α-oxybenzyl-1H-indenes.","Organic & biomolecular chemistry","2018","16","15","2623","2628","10.1039/c8ob00406d","","","0.71073","MoKα","","0.1647","0.0676","","","0.1614","0.2016","","","","","","1.01","","","","has coordinates,has disorder","230820","2020-10-21","18:00:00",""
"7156160","8.5004","0.0002","12.8701","0.0002","16.4218","0.0003","90","","90","","90","","1796.56","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O7 -","- C16 H26 N2 O7 -","- C64 H104 N8 O28 -","4","1","","Josa-Culleré, Laia; Christensen, Kirsten E.; Moloney, Mark G.","Diastereoselective reduction of the tricarbonyl moiety in bicyclic tetramates giving pyroglutamates.","Organic & biomolecular chemistry","2018","16","15","2705","2710","10.1039/c8ob00187a","","","1.54184","CuKα","","0.0362","0.0356","","0.0958","0.095","0.0958","","","","","","1.0118","","","","has coordinates,has disorder","230818","2020-10-21","18:00:00",""
"7156161","8.5534","0.0001","13.2093","0.0002","16.1337","0.0002","90","","90","","90","","1822.86","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 I N2 O6 -","- C15 H23 I N2 O6 -","- C60 H92 I4 N8 O24 -","4","1","","Josa-Culleré, Laia; Christensen, Kirsten E.; Moloney, Mark G.","Diastereoselective reduction of the tricarbonyl moiety in bicyclic tetramates giving pyroglutamates.","Organic & biomolecular chemistry","2018","16","15","2705","2710","10.1039/c8ob00187a","","","1.5418","CuKα","","0.0302","0.0301","","0.0805","0.0803","0.0805","","","","","","1.0052","","","","has coordinates,has disorder","230818","2020-10-21","18:00:00",""
"7156162","8.7409","0.0005","9.6037","0.0006","12.1665","0.0007","72.299","0.004","87.366","0.004","72.955","0.005","929.18","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","1","","Kripalaya Ratheesh, Arya; Sparkes, Hazel A.; Prasad, Karnam Jayarampillai Rajendra","A new strategy for the synthesis of diverse benzo[a]carbazoles via a divergent catalytic Michael reaction.","Organic & biomolecular chemistry","2018","16","14","2527","2540","10.1039/C8OB00154E","","","0.71073","MoKα","","0.0807","0.0525","","","0.1019","0.1168","","","","","","1.05","","","","has coordinates","230791","2020-10-21","18:00:00",""
"7156163","8.3973","0.0008","8.5161","0.0009","14.1035","0.0013","97.848","0.006","104.222","0.006","108.609","0.006","900.83","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O2 -","- C23 H16 N4 O2 -","- C46 H32 N8 O4 -","2","1","","Kripalaya Ratheesh, Arya; Sparkes, Hazel A.; Prasad, Karnam Jayarampillai Rajendra","A new strategy for the synthesis of diverse benzo[a]carbazoles via a divergent catalytic Michael reaction.","Organic & biomolecular chemistry","2018","16","14","2527","2540","10.1039/C8OB00154E","","","0.71073","MoKα","","0.078","0.0495","","","0.116","0.1334","","","","","","1.023","","","","has coordinates,has disorder","230791","2020-10-21","18:00:00",""
"7156164","6.3579","0.0007","12.657","0.0013","22.518","0.002","90","","90","","90","","1812.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O5 -","- C20 H17 Br O5 -","- C80 H68 Br4 O20 -","4","1","","Shen, Yue; Yang, Peng-Fei; Yang, Gaosheng; Chen, Wen-Long; Chai, Zhuo","Lewis acid-catalyzed enantiospecific [3 + 2] annulations of γ-butyrolactone fused cyclopropanes with aromatic aldehydes: synthesis of chiral furanolignans.","Organic & biomolecular chemistry","2018","16","15","2688","2696","10.1039/c8ob00455b","","","0.71073","MoKα","","0.0501","0.0339","","","0.0801","0.0868","","","","","","1.016","","","","has coordinates","230814","2020-10-21","18:00:00",""
"7156165","5.8248","0.0005","11.9048","0.001","26.568","0.002","90","","90","","90","","1842.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C84 H80 O28 -","4","1","","Shen, Yue; Yang, Peng-Fei; Yang, Gaosheng; Chen, Wen-Long; Chai, Zhuo","Lewis acid-catalyzed enantiospecific [3 + 2] annulations of γ-butyrolactone fused cyclopropanes with aromatic aldehydes: synthesis of chiral furanolignans.","Organic & biomolecular chemistry","2018","16","15","2688","2696","10.1039/c8ob00455b","","","0.71073","MoKα","","0.0425","0.0362","","","0.0846","0.0893","","","","","","1.051","","","","has coordinates","230814","2020-10-21","18:00:00",""
"7156166","10.7366","0.0004","11.0614","0.0005","21.0424","0.0011","90","","101.46","0.004","90","","2449.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 B2 F8 O2 S8 -","- C16 H14 B2 F8 O2 S8 -","- C64 H56 B8 F32 O8 S32 -","4","1","","Schröder, Hendrik V; Witte, Felix; Gaedke, Marius; Sobottka, Sebastian; Suntrup, Lisa; Hupatz, Henrik; Valkonen, Arto; Paulus, Beate; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","An aryl-fused redox-active tetrathiafulvalene with enhanced mixed-valence and radical-cation dimer stabilities.","Organic & biomolecular chemistry","2018","16","15","2741","2747","10.1039/c8ob00415c","","","0.71073","MoKα","","0.0578","0.0386","","","0.08","0.0892","","","","","","1.025","","","","has coordinates","230817","2020-10-21","18:00:00",""
"7156167","31.739","0.003","4.5314","0.0004","14.5044","0.0012","90","","101.228","0.005","90","","2046.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 S8 -","- C16 H14 O2 S8 -","- C64 H56 O8 S32 -","4","1","","Schröder, Hendrik V; Witte, Felix; Gaedke, Marius; Sobottka, Sebastian; Suntrup, Lisa; Hupatz, Henrik; Valkonen, Arto; Paulus, Beate; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","An aryl-fused redox-active tetrathiafulvalene with enhanced mixed-valence and radical-cation dimer stabilities.","Organic & biomolecular chemistry","2018","16","15","2741","2747","10.1039/c8ob00415c","","","1.54178","CuKα","","0.0507","0.0395","","","0.0987","0.104","","","","","","1.048","","","","has coordinates","230817","2020-10-21","18:00:00",""
"7156168","7.9327","0.0004","18.8397","0.0009","22.3499","0.0016","90","","100.199","0.005","90","","3287.4","0.3","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H33 Br O4 S Se -","- C33 H33 Br O4 S Se -","- C132 H132 Br4 O16 S4 Se4 -","4","2","","Luo, Shilong; Zhang, Nan; Wang, Zhen; Yan, Hailong","Enantioselective addition of selenosulfonates to α,β-unsaturated ketones.","Organic & biomolecular chemistry","2018","16","16","2893","2901","10.1039/c8ob00359a","","x-ray","0.71073","MoKα","","0.1192","0.0676","","","0.1421","0.1658","","","","","","1.054","","","","has coordinates","230734","2020-10-21","18:00:00",""
"7156169","9.795","0.005","10.469","0.005","12.397","0.005","87.898","0.005","81.097","0.005","82.861","0.005","1246","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.","Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.","Organic & biomolecular chemistry","2018","16","16","2910","2922","10.1039/c8ob00228b","","","0.71073","MoKα","","0.2425","0.087","","","0.1476","0.1989","","","","","","0.985","","","","has coordinates","230737","2020-10-21","18:00:00",""
"7156170","13.1542","0.0009","13.3153","0.0009","15.723","0.0011","103.217","0.002","113.154","0.002","93.739","0.002","2427.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H60 N4 O8 -","- C60 H60 N4 O8 -","- C120 H120 N8 O16 -","2","1","","Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.","Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.","Organic & biomolecular chemistry","2018","16","16","2910","2922","10.1039/c8ob00228b","","","0.71073","MoKα","","0.1321","0.0642","","","0.1341","0.164","","","","","","0.976","","","","has coordinates","230737","2020-10-21","18:00:00",""
"7156171","7.581","0.005","10.819","0.005","13.144","0.005","89.938","0.005","87.155","0.005","82.887","0.005","1068.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O4 -","- C26 H26 N2 O4 -","- C52 H52 N4 O8 -","2","1","","Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.","Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.","Organic & biomolecular chemistry","2018","16","16","2910","2922","10.1039/c8ob00228b","","","0.71073","MoKα","","0.0678","0.0505","","","0.1261","0.1352","","","","","","1.049","","","","has coordinates","230737","2020-10-21","18:00:00",""
"7156172","7.8621","0.0004","10.129","0.0005","12.5926","0.0005","70.829","0.004","76.104","0.004","67.503","0.005","867.55","0.08","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl N3 O6 S -","- C14 H16 Cl N3 O6 S -","- C28 H32 Cl2 N6 O12 S2 -","2","1","","Zhou, Minghui; Su, Qin; Addepalli, Yesu; He, Yun; Wang, Zhen","An asymmetric Mannich reaction of α-diazocarbonyl compounds and N-sulfonyl cyclic ketimines catalyzed by complexes generated from chiral and achiral phosphines with gold(i).","Organic & biomolecular chemistry","2018","16","16","2923","2931","10.1039/c8ob00577j","","x-ray","0.71073","MoKα","","0.0752","0.0492","","","0.1246","0.1343","","","","","","1.098","","","","has coordinates","230732","2020-10-21","18:00:00",""
"7156173","8.809","0.011","12.652","0.016","16.37","0.02","90","","91.413","0.013","90","","1824","4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","vbchem293S","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Mondal, Susmita; Hajra, Alakananda","Ruthenium(ii)-catalyzed remote C-H addition of 8 aminoquinoline amide to activated aldehyde.","Organic & biomolecular chemistry","2018","16","16","2846","2850","10.1039/c8ob00537k","","","0.71073","MoKα","","0.1956","0.1141","","","0.2736","0.3356","","","","","","1.547","","","","has coordinates","230733","2020-10-21","18:00:00",""
"7156174","20.187","0.002","12.8111","0.0015","19.386","0.003","90","","110.362","0.013","90","","4700.3","1.1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H25.12 O5 S -","- C26 H25.122 O5 S -","- C208 H200.976 O40 S8 -","8","1","","Ma, Shanshan; Yu, Aimin; Meng, Xiangtai","Phosphine-catalyzed [4 + 2] annulation of γ-benzyl allenoates: facile synthesis of benzothieno[3,2-b]pyran derivatives.","Organic & biomolecular chemistry","2018","16","16","2885","2892","10.1039/c8ob00004b","","x-ray","0.71073","MoKα","","0.0959","0.0587","","","0.1527","0.1989","","","","","","1.106","","","","has coordinates,has disorder","230736","2020-10-21","18:00:00",""
"7156175","10.8783","0.0012","11.1724","0.0013","11.9506","0.0014","103.441","0.01","110.162","0.011","103.53","0.01","1245.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl O7 S -","- C24 H21 Cl O7 S -","- C48 H42 Cl2 O14 S2 -","2","1","","Ma, Shanshan; Yu, Aimin; Meng, Xiangtai","Phosphine-catalyzed [4 + 2] annulation of γ-benzyl allenoates: facile synthesis of benzothieno[3,2-b]pyran derivatives.","Organic & biomolecular chemistry","2018","16","16","2885","2892","10.1039/c8ob00004b","","x-ray","0.71073","MoKα","","0.1108","0.0802","","","0.212","0.2512","","","","","","1.031","","","","has coordinates","230736","2020-10-21","18:00:00",""
"7156176","7.753","0.002","14.532","0.004","11.144","0.003","90","","98.574","0.006","90","","1241.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O -","- C14 H14 N4 O -","- C56 H56 N16 O4 -","4","1","","Tong, Feng; Linares-Mendez, Iamnica J; Han, Yi-Fei; Wisner, James A.; Wang, Hong-Bo","Readily functionalized AAA-DDD triply hydrogen-bonded motifs.","Organic & biomolecular chemistry","2018","16","16","2947","2954","10.1039/c8ob00479j","","","0.71073","MoKα","","0.0444","0.0348","","","0.0915","0.1021","","","","","","1.069","","","","has coordinates","230735","2020-10-21","18:00:00",""
"7156177","12.3199","0.0011","22.2918","0.0014","9.1023","0.0009","90","","108.63","0.009","90","","2368.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N O4 P -","- C28 H22 N O4 P -","- C112 H88 N4 O16 P4 -","4","1","","Su, Xiaoxue; Yang, Fan; Wu, Yusheng; Wu, Yangjie","Direct C4-H phosphonation of 8-hydroxyquinoline derivatives employing photoredox catalysis and silver catalysis.","Organic & biomolecular chemistry","2018","16","15","2753","2756","10.1039/c8ob00370j","","x-ray","0.71073","MoKα","","0.0895","0.0537","","","0.1154","0.1371","","","","","","1.021","","","","has coordinates","230819","2020-10-21","18:00:00",""
"7156178","9.0578","0.0005","9.3785","0.0005","15.7048","0.0009","103.167","0.001","101.337","0.001","91.84","0.001","1269.54","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 F3 N4 O6 -","- C25 H27 F3 N4 O6 -","- C50 H54 F6 N8 O12 -","2","1","","Vorobyeva, Daria V.; Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Loginov, Dmitry A.; Peregudov, Alexander S.; Osipov, Sergey N.","Rhodium(iii)-catalyzed CF<sub>3</sub>-carbenoid C-H functionalization of 6-arylpurines.","Organic & biomolecular chemistry","2018","16","16","2966","2974","10.1039/c8ob00645h","","","0.71073","MoKα","","0.0575","0.0457","","","0.1171","0.1261","","","","","","1.005","","","","has coordinates","230740","2020-10-21","18:00:00",""
"7156179","9.7486","0.001","10.5135","0.0011","19.312","0.002","90","","100.75","0.002","90","","1944.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 O4 -","- C21 H24 N4 O4 -","- C84 H96 N16 O16 -","4","1","","Vorobyeva, Daria V.; Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Loginov, Dmitry A.; Peregudov, Alexander S.; Osipov, Sergey N.","Rhodium(iii)-catalyzed CF<sub>3</sub>-carbenoid C-H functionalization of 6-arylpurines.","Organic & biomolecular chemistry","2018","16","16","2966","2974","10.1039/c8ob00645h","","","0.71073","MoKα","","0.0598","0.046","","","0.1092","0.118","","","","","","1.007","","","","has coordinates","230740","2020-10-21","18:00:00",""
"7156180","9.9316","0.0014","9.6118","0.0013","33.373","0.005","90","","97.634","0.004","90","","3157.6","0.8","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Br Cl4 N O2 S2 -","- C32 H22 Br Cl4 N O2 S2 -","- C128 H88 Br4 Cl16 N4 O8 S8 -","4","1","","Bi, Cheng; Zhang, Lianpeng; Qiu, Guanyinsheng; Li, Xiaofang; Yao, Jinzhong; Zhou, Hongwei","Stereoselective and regioselective 5-exo-dig cyclization of 8-alkynylnaphthalen-1-amines for the synthesis of (E)-2-(arylthio)alkylene-1,2-dihydrobenzo[cd]indoles.","Organic & biomolecular chemistry","2018","16","16","3006","3011","10.1039/c8ob00556g","","","0.71073","MoKα","","0.0801","0.0507","","","0.1345","0.1527","","","","","","0.993","","","","has coordinates","230738","2020-10-21","18:00:00",""
"7156181","10.5352","0.0005","5.659","0.0003","20.7179","0.0008","90","","95.495","0.002","90","","1229.5","0.1","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.0705","0.043","","","0.1114","0.1304","","","","","","0.985","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156182","10.1088","0.0011","10.1122","0.0011","15.6369","0.0016","106.118","0.004","90.862","0.004","117.901","0.004","1337.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","C11H12I2N2","","- C11 H12 I2 N2 -","- C11 H12 I2 N2 -","- C44 H48 I8 N8 -","4","2","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.1393","0.0958","","","0.228","0.2484","","","","","","1.088","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156183","8.7463","0.0003","9.1092","0.0003","13.1444","0.0005","90","","90","","90","","1047.24","0.06","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.0132","0.0126","","","0.0294","0.0296","","","","","","1.058","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156184","4.6419","0.0003","24.9757","0.0017","9.3367","0.0006","90","","97.371","0.002","90","","1073.5","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.1274","0.0602","","","0.1125","0.1367","","","","","","1.084","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156185","8.9971","0.0005","8.2161","0.0005","14.939","0.0009","90","","92.864","0.002","90","","1102.93","0.11","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Br N2 O -","- C10 H13 Br N2 O -","- C40 H52 Br4 N8 O4 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.0613","0.0339","","","0.0646","0.0732","","","","","","1.051","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156186","5.07","0.004","20.668","0.016","16","0.013","90","","93.39","0.02","90","","1674","2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Cl N3 O -","- C21 H14 Cl N3 O -","- C84 H56 Cl4 N12 O4 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.2245","0.1177","","","0.31","0.3965","","","","","","1.118","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156187","10.0967","0.0003","11.1751","0.0003","13.81","0.0004","90","","104.85","0.003","90","","1506.16","0.08","150","","150","","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C56 H72 N8 O20 S4 -","4","1","","Fegheh-Hassanpour, Younes; Ebrahim, Faisal; Arif, Tanzeel; Sintim, Herman O.; Claridge, Timothy D. W.; Amin, Nader T.; Hodgson, David M.","On the ozonolysis of unsaturated tosylhydrazones as a direct approach to diazocarbonyl compounds.","Organic & biomolecular chemistry","2018","16","16","2876","2884","10.1039/c8ob00435h","","","1.5418","CuKα","","0.0319","0.0299","","0.0803","0.0781","0.0803","","","","","","1.0085","","","","has coordinates","230739","2020-10-21","18:00:00",""
"7156188","13.9735","0.0008","11.3828","0.0006","10.4133","0.0006","90","","109.645","0.001","90","","1559.91","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 F5 N O2 S -","- C14 H16 F5 N O2 S -","- C56 H64 F20 N4 O8 S4 -","4","1","","Savoie, Paul R.; von Hahmann, Cortney N.; Penger, Alexander; Wei, Zheng; Welch, John T.","The control of stereochemistry by the pentafluorosulfanyl group.","Organic & biomolecular chemistry","2018","16","17","3151","3159","10.1039/c7ob03146g","","","0.71073","MoKα","","0.0695","0.0419","","","0.0908","0.1013","","","","","","1.014","","","","has coordinates","230706","2020-10-21","18:00:00",""
"7156189","9.5682","0.0003","18.4465","0.0007","9.7648","0.0004","90","","104.808","0.0017","90","","1666.25","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","1","","Mariappan, Arumugam; Das, Krishna Mohan; Jeganmohan, Masilamani","Remote alkylation of N-(quinolin-8-yl)benzamides with alkyl bromides via ruthenium(ii)-catalyzed C-H bond activation.","Organic & biomolecular chemistry","2018","16","18","3419","3427","10.1039/c8ob00581h","","","0.71073","MoKα","","0.0566","0.0406","","","0.0999","0.1116","","","","","","1.042","","","","has coordinates","230828","2020-10-21","18:00:00",""
"7156190","13.248","0.008","11.319","0.007","21.558","0.012","90","","90","","90","","3233","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","1","","Zhang, Wuxia; Xiao, Dehai; Wang, Bo","A concise total synthesis of cochlearoid B.","Organic & biomolecular chemistry","2018","16","18","3358","3361","10.1039/c8ob00615f","","","0.71073","MoKα","","0.0916","0.0631","","","0.1493","0.1671","","","","","","0.989","","","","has coordinates","230826","2020-10-21","18:00:00",""
"7156191","8.5808","0.0017","10.449","0.002","27.944","0.006","83.51","0.03","88.58","0.03","66.94","0.03","2290","1","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Br N O7 -","- C24 H24 Br N O7 -","- C96 H96 Br4 N4 O28 -","4","2","","Zhang, Wuxia; Xiao, Dehai; Wang, Bo","A concise total synthesis of cochlearoid B.","Organic & biomolecular chemistry","2018","16","18","3358","3361","10.1039/c8ob00615f","","","0.71073","MoKα","","0.0974","0.0532","","","0.1193","0.1359","","","","","","1.011","","","","has coordinates,has disorder","230826","2020-10-21","18:00:00",""
"7156192","10.7014","0.0002","14.4421","0.0003","14.1016","0.0004","90","","106.984","0.003","90","","2084.36","0.09","119.99","0.17","119.99","0.17","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 F N2 O4 -","- C22 H29 F N2 O4 -","- C88 H116 F4 N8 O16 -","4","1","","Aimon, Anthony; Karageorgis, George; Masters, Jacob; Dow, Mark; Craven, Philip G. E.; Ohsten, Martin; Willaume, Anthony; Morgentin, Rémy; Ruiz-Llamas, Nicolas; Lemoine, Hugues; Kalliokoski, Tuomo; Eatherton, Andrew J.; Foley, Daniel J.; Marsden, Stephen P.; Nelson, Adam","Realisation of small molecule libraries based on frameworks distantly related to natural products.","Organic & biomolecular chemistry","2018","16","17","3160","3167","10.1039/c8ob00688a","","x-ray","1.54184","CuKα","","0.045","0.0392","","","0.0939","0.0988","","","","","","1.053","","","","has coordinates","230711","2020-10-21","18:00:00",""
"7156193","8.0151","0.0004","11.4152","0.0005","12.798","0.0006","89.432","0.003","71.763","0.003","86.136","0.003","1109.52","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C52 H48 N4 O6 -","2","1","","Waheed, Mohd; Ahmed, Naseem; Alsharif, Meshari A.; Alahmdi, Mohammed Issa; Mukhtar, Sayeed","One-pot synthesis of 1,5-diketones from 3-acetyl-4-hydroxycoumarin and effective cyclization to unexpected 3,4-dihydropyridines.","Organic & biomolecular chemistry","2018","16","18","3428","3437","10.1039/c8ob00718g","","","0.71073","MoKα","","0.1632","0.0701","","","0.2155","0.2979","","","","","","0.95","","","","has coordinates","230822","2020-10-21","18:00:00",""
"7156194","7.746","0.0003","11.9902","0.0004","12.4618","0.0004","70.558","0.002","75.621","0.002","79.609","0.002","1051.15","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 O5 -","- C25 H24 O5 -","- C50 H48 O10 -","2","1","","Waheed, Mohd; Ahmed, Naseem; Alsharif, Meshari A.; Alahmdi, Mohammed Issa; Mukhtar, Sayeed","One-pot synthesis of 1,5-diketones from 3-acetyl-4-hydroxycoumarin and effective cyclization to unexpected 3,4-dihydropyridines.","Organic & biomolecular chemistry","2018","16","18","3428","3437","10.1039/c8ob00718g","","","0.71073","MoKα","","0.117","0.0762","","","0.242","0.2808","","","","","","1.042","","","","has coordinates","230822","2020-10-21","18:00:00",""
"7156195","8.6001","0.0001","17.1655","0.0002","9.5808","0.0001","90","","94.473","0.001","90","","1410.06","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N3 O5 S2 -","- C30 H29 N3 O5 S2 -","- C60 H58 N6 O10 S4 -","2","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","K-L~3~","0.0321","0.031","","","0.0697","0.0704","","","","","","1.042","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156196","5.8407","0.0001","14.9477","0.0004","19.3104","0.0006","90","","90","","90","","1685.9","0.07","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O5 S2 -","- C17 H17 N O5 S2 -","- C68 H68 N4 O20 S8 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71075","MoKα","","0.0228","0.0226","","","0.0601","0.0602","","","","","","1.108","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156197","14.3941","0.0002","6.9252","0.00011","21.6163","0.0004","90","","94.3263","0.0015","90","","2148.62","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O3 S2 -","- C24 H22 N2 O3 S2 -","- C96 H88 N8 O12 S8 -","4","2","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0264","0.0253","","","0.0651","0.0657","","","","","","1.038","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156198","10.414","0.0003","15.8099","0.0004","21.1096","0.0005","90","","90","","90","","3475.58","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O3 S2 -","- C19 H16 N2 O3 S2 -","- C152 H128 N16 O24 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0552","0.041","","","0.0886","0.0948","","","","","","1.032","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156199","10.3634","0.0002","12.0468","0.0003","21.0449","0.0004","90","","90","","90","","2627.37","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O S2 -","- C14 H12 N2 O S2 -","- C112 H96 N16 O8 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0346","0.0298","","","0.077","0.0798","","","","","","1.019","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156200","5.6439","0.0003","10.3733","0.0003","11.1733","0.0004","88.811","0.003","76.205","0.004","88.281","0.003","634.93","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N2 O S2 -","- C14 H12 N2 O S2 -","- C28 H24 N4 O2 S4 -","2","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0341","0.0313","","","0.0845","0.0864","","","","","","1.043","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156201","9.13571","0.00013","13.38135","0.00018","30.0335","0.0004","90","","90","","90","","3671.54","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S2 -","- C19 H21 N O3 S2 -","- C152 H168 N8 O24 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0323","0.0296","","","0.0798","0.0815","","","","","","1.042","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156202","11.8815","0.0012","6.2795","0.0006","23.859","0.003","90","","95.94","0.003","90","","1770.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O3 S2 -","- C21 H16 N2 O3 S2 -","- C84 H64 N8 O12 S8 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71075","MoKα","","0.0328","0.0294","","","0.0793","0.081","","","","","","1.058","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156203","11.0765","0.0011","18.7037","0.0019","17.8788","0.0018","90","","91.808","0.002","90","","3702.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O3 S2 -","- C21 H16 N2 O3 S2 -","- C168 H128 N16 O24 S16 -","8","2","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71075","MoKα","","0.0373","0.0315","","","0.0805","0.0829","","","","","","1.049","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156204","9.2019","0.0006","33.434","0.002","36.933","0.003","90","","90","","90","","11362.7","1.4","104","2","104","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C93 H151 N25 O23 -","- C74 H123 N21 O18 -","- C296 H492 N84 O72 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","x-ray","1.54184","CuKα","","0.1715","0.1324","","","0.3416","0.3761","","","","","","1.308","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156205","9.0696","0.0001","21.623","0.0003","23.9383","0.0004","111.419","0.001","95.745","0.001","98.514","0.001","4261.16","0.11","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C142 H233 N33 O37 -","- C142 H231 N33 O37 -","- C142 H231 N33 O37 -","1","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0944","0.0802","","","0.205","0.2161","","","","","","1.001","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156206","24.5384","0.0013","8.9796","0.0005","40.3241","0.0019","90","","105.026","0.005","90","","8581.4","0.8","100","2","100","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C69 H113 N17 O18 -","- C69 H113 N17 O18 -","- C276 H452 N68 O72 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0937","0.0629","","","0.146","0.1651","","","","","","1.031","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156207","10.1857","0.0002","17.9944","0.0004","46.7774","0.0009","90","","90","","90","","8573.6","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H114 N18 O17 -","- C71 H114 N18 O17 -","- C284 H456 N72 O68 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0769","0.066","","","0.1848","0.1985","","","","","","0.84","","","","has coordinates,has disorder","230725","2020-10-21","18:00:00",""
"7156208","29.04","0.02","33.47","0.02","10.3","0.01","90","","90","","90","","10011","13","110","2","110","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C78 H133 N19 O19 -","- C78 H129 N19 O19 -","- C312 H516 N76 O76 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","0.92","","","0.1092","0.0968","","","0.2663","0.2748","","","","","","1.635","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156209","12.0625","0.0003","35.0403","0.0008","31.1624","0.0008","90","","100.906","0.003","90","","12933.6","0.6","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C184 H302 N50 O46 -","- C184 H302 N50 O46 -","- C368 H604 N100 O92 -","2","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0902","0.0719","","","0.1899","0.2112","","","","","","1.051","","","","has coordinates,has disorder","230725","2020-10-21","18:00:00",""
"7156210","11.0806","0.0004","8.8522","0.0004","17.7829","0.0006","90","","102.82","0.0018","90","","1700.8","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ce H16 N7 O19 -","- Ce H4 N7 O19 -","- Ce4 H16 N28 O76 -","4","0.5","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.0516","0.044","","","0.1119","0.1151","","","","","","1.161","","","","has coordinates,has disorder","230726","2020-10-21","18:00:00",""
"7156211","5.5311","0.0007","13.8941","0.0017","23.168","0.003","90","","90","","90","","1780.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O12 -","- C14 H19 N O12 -","- C56 H76 N4 O48 -","4","1","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.0715","0.0416","","","0.0728","0.0827","","","","","","1.016","","","","has coordinates","230726","2020-10-21","18:00:00",""
"7156212","14.9257","0.0016","5.4551","0.0006","21.093","0.002","90","","95.99","0.007","90","","1708","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H27 N O12 -","- C34 H27 N O12 -","- C68 H54 N2 O24 -","2","1","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.1668","0.0789","","","0.1695","0.2084","","","","","","1.035","","","","has coordinates,has disorder","230726","2020-10-21","18:00:00",""
"7156213","10.3289","0.0003","13.752","0.0004","18.4669","0.0007","90","","90","","90","","2623.09","0.15","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Cl F3 N4 O3 -","- C28 H22 Cl F3 N4 O3 -","- C112 H88 Cl4 F12 N16 O12 -","4","1","","Luo, Yuan; Xie, Ke-Xin; Yue, Deng-Feng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","An organocatalytic asymmetric Mannich reaction of pyrazoleamides with cyclic trifluoromethyl ketimines: enantioselective access to dihydroquinazolinone skeletons.","Organic & biomolecular chemistry","2018","16","18","3372","3375","10.1039/c8ob00707a","","","0.71073","MoKα","","0.064","0.0431","","","0.0942","0.104","","","","","","1.033","","","","has coordinates","230824","2020-10-21","18:00:00",""
"7156214","8.2863","0.001","8.959","0.0011","10.6474","0.0012","87.057","0.01","70.068","0.011","71.08","0.011","701.38","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C34 H24 O6 S2 -","2","1","","Shen, Jinhui; Yang, Yang; Hou, Xiaoli; Zeng, Wenlei; Yu, Aimin; Zhao, Xiaowei; Meng, Xiangtai","Darzens reaction of thioisatins and sulfonium salts: approach to the synthesis of thiochromenone derivatives with anticancer potency.","Organic & biomolecular chemistry","2018","16","18","3487","3494","10.1039/c8ob00402a","","x-ray","0.71073","MoKα","","0.0685","0.0452","","","0.1231","0.157","","","","","","0.966","","","","has coordinates","230821","2020-10-21","18:00:00",""
"7156215","7.2549","0.0016","20.063","0.005","14.429","0.004","90","","101.37","0.03","90","","2059","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O4 S -","- C25 H18 O4 S -","- C100 H72 O16 S4 -","4","1","","Shen, Jinhui; Yang, Yang; Hou, Xiaoli; Zeng, Wenlei; Yu, Aimin; Zhao, Xiaowei; Meng, Xiangtai","Darzens reaction of thioisatins and sulfonium salts: approach to the synthesis of thiochromenone derivatives with anticancer potency.","Organic & biomolecular chemistry","2018","16","18","3487","3494","10.1039/c8ob00402a","","x-ray","0.71073","MoKα","","0.1532","0.085","","","0.1909","0.2527","","","","","","1.121","","","","has coordinates","230821","2020-10-21","18:00:00",""
"7156216","9.05","0.004","10.2","0.004","27.541","0.011","89.877","0.006","93.866","0.006","111.112","0.005","2365.6","1.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O5 -","- C29 H26 N2 O5 -","- C116 H104 N8 O20 -","4","2","","Tang, Xue; Gao, Ying-Juan; Deng, Hui-Qing; Lei, Jin-Ju; Liu, Si-Wei; Zhou, Lin; Shi, Yin; Liang, Hao; Qiao, Jie; Guo, Li; Han, Bo; Cui, Hai-Lei","Catalyst-free [3 + 2] cyclization of dihydroisoquinoline imines and isatin-derived Morita-Baylis-Hillman carbonates via 1,5-electrocyclization: synthesis of tetrahydroisoquinoline-fused spirooxindoles.","Organic & biomolecular chemistry","2018","16","18","3362","3366","10.1039/c8ob00749g","","","0.71073","MoKα","","0.1443","0.1072","","","0.278","0.2967","","","","","","1.06","","","","has coordinates","230825","2020-10-21","18:00:00",""
"7156217","20.451","0.002","29.075","0.003","9.8797","0.0009","90","","103.894","0.002","90","","5702.7","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 N2 O14 S3 -","- C60 H50 N2 O14 S3 -","- C240 H200 N8 O56 S12 -","4","1","","Mishra, Richa; Jana, Asim; Panday, Anoop Kumar; Choudhury, Lokman H.","Synthesis of fused pyrroles containing 4-hydroxycoumarins by regioselective metal-free multicomponent reactions.","Organic & biomolecular chemistry","2018","16","17","3289","3302","10.1039/c8ob00161h","","","0.71073","MoKα","","0.0735","0.0647","","","0.184","0.1938","","","","","","1.06","","","","has coordinates,has disorder","230707","2020-10-21","18:00:00",""
"7156218","13.4091","0.0003","7.5272","0.0001","13.3823","0.0003","90","","114.262","0.003","90","","1231.41","0.05","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-Hydroxy-2-phenylethyl)-4-methyl-2,5-dihydrothiophene-1,1-dioxide","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C52 H64 O12 S4 -","4","1","","Dang, Hang T.; Nguyen, Vu T.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Efficient synthesis of 3-sulfolenes from allylic alcohols and 1,3-dienes enabled by sodium metabisulfite as a sulfur dioxide equivalent.","Organic & biomolecular chemistry","2018","16","19","3605","3609","10.1039/c8ob00745d","","x-ray","0.71073","MoKα","","0.0664","0.0601","","","0.1226","0.1292","","","","","","1.054","","","","has coordinates","230728","2020-10-21","18:00:00",""
"7156219","39.247","0.004","12.6465","0.0011","21.5421","0.0019","90","","93.847","0.002","90","","10668.1","1.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Cl2 N6 Ni O S2 -","- C56 H58 Cl2 N6 Ni O S2 -","- C448 H464 Cl16 N48 Ni8 O8 S16 -","8","1","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6893","synchrotron","","0.1045","0.0701","","","0.1767","0.2007","","","","","","1.066","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156220","26.289","0.002","15.6605","0.0014","28.462","0.002","90","","109.794","0.002","90","","11025.4","1.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H68 Cl2 N4 Ni S2 Si -","- C58 H68 Cl2 N4 Ni S2 Si -","- C464 H544 Cl16 N32 Ni8 S16 Si8 -","8","4","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6932","synchrotron","","0.1506","0.1419","","","0.3897","0.4066","","","","","","1.646","","","","has coordinates","230727","2020-10-21","18:00:00",""
"7156221","14.218","0.005","20.122","0.006","21.975","0.007","69.445","0.003","72.044","0.003","82.393","0.003","5598","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C103 H109 N9 Ni O S2 Zn -","- C103 H109 N9 Ni O S2 Zn -","- C206 H218 N18 Ni2 O2 S4 Zn2 -","2","1","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6932","synchrotron","","0.1556","0.1004","","","0.278","0.3328","","","","","","1.039","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156222","36.962","0.008","14.668","0.003","40.822","0.009","90","","91.783","0.002","90","","22121","8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H56 N6 S2 -","- C58 H56 N6 S2 -","- C928 H896 N96 S32 -","16","4","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6932","synchrotron","","0.2409","0.2034","","","0.4944","0.5174","","","","","","1.071","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156223","34.85","0.03","13.785","0.011","40.21","0.03","90","","92.378","0.01","90","","19301","3","150","2","150","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C54 H52 N8 -","- C54 H52 N8 -","- C864 H832 N128 -","16","2","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6893","synchrotron","","0.2429","0.1812","","","0.3842","0.4153","","","","","","1.142","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156224","9.3021","0.0009","11.1033","0.0011","11.8279","0.0011","81.577","0.002","80.92","0.001","72.384","0.001","1143.41","0.19","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl2 F3 N O2 -","- C26 H22 Cl2 F3 N O2 -","- C52 H44 Cl4 F6 N2 O4 -","2","1","","Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin","Synthesis of CF<sub>3</sub>-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph<sub>2</sub>S<sup>+</sup>CH<sub>2</sub>CF<sub>3</sub>OTf<sup/>.","Organic & biomolecular chemistry","2018","16","19","3564","3567","10.1039/c8ob00602d","","","0.71073","MoKα","","0.0563","0.0512","","","0.1353","0.1395","","","","","","1.028","","","","has coordinates,has disorder","230731","2020-10-21","18:00:00",""
"7156225","9.33","0.004","11.138","0.005","19.656","0.008","90","","95.194","0.008","90","","2034.2","1.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F3 N O2 -","- C25 H20 F3 N O2 -","- C100 H80 F12 N4 O8 -","4","1","","Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin","Synthesis of CF<sub>3</sub>-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph<sub>2</sub>S<sup>+</sup>CH<sub>2</sub>CF<sub>3</sub>OTf<sup/>.","Organic & biomolecular chemistry","2018","16","19","3564","3567","10.1039/c8ob00602d","","","0.71073","MoKα","","0.1071","0.0613","","","0.1491","0.1835","","","","","","1.024","","","","has coordinates","230731","2020-10-21","18:00:00",""
"7156226","8.7429","0.0004","13.5554","0.0006","21.9361","0.0009","90","","90","","90","","2599.7","0.2","150","2","149.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 F3 N O2 -","- C14 H14 F3 N O2 -","- C112 H112 F24 N8 O16 -","8","1","","Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin","Synthesis of CF<sub>3</sub>-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph<sub>2</sub>S<sup>+</sup>CH<sub>2</sub>CF<sub>3</sub>OTf<sup/>.","Organic & biomolecular chemistry","2018","16","19","3564","3567","10.1039/c8ob00602d","","","1.54178","CuKα","","0.0411","0.0394","","","0.1011","0.1026","","","","","","1.094","","","","has coordinates","230731","2020-10-21","18:00:00",""
"7156227","18.8659","0.001","10.1158","0.0004","8.8637","0.0005","90","","99.138","0.006","90","","1670.11","0.15","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br N3 -","- C21 H12 Br N3 -","- C84 H48 Br4 N12 -","4","1","","Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.","Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.","Organic & biomolecular chemistry","2018","16","28","5119","5135","10.1039/c8ob00847g","","","0.7107","MoKα","","0.0792","0.0473","","","0.1155","0.1341","","","","","","1.001","","","","has coordinates","230581","2020-10-21","18:00:00",""
"7156228","9.2421","0.0005","17.3468","0.0011","28.1793","0.0014","90","","90","","90","","4517.7","0.4","295","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C224 H176 N32 O16 -","8","1","","Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.","Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.","Organic & biomolecular chemistry","2018","16","28","5119","5135","10.1039/c8ob00847g","","","0.7107","MoKα","","0.2187","0.0624","","","0.1014","0.152","","","","","","0.932","","","","has coordinates","230581","2020-10-21","18:00:00",""
"7156229","13.2575","0.0007","15.3061","0.0007","7.8541","0.0003","90","","98.654","0.005","90","","1575.61","0.13","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N5 -","- C21 H13 N5 -","- C84 H52 N20 -","4","1","","Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.","Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.","Organic & biomolecular chemistry","2018","16","28","5119","5135","10.1039/c8ob00847g","","","0.7107","MoKα","","0.0909","0.0524","","","0.1202","0.1391","","","","","","1.002","","","","has coordinates","230581","2020-10-21","18:00:00",""
"7156230","9.463","0.0012","9.9221","0.0011","13.5665","0.0016","102.387","0.01","94.259","0.01","98.976","0.01","1221.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl N -","- C15 H12 Cl N -","- C60 H48 Cl4 N4 -","4","2","","Gattu, Radhakrishna; Bhattacharjee, Suchandra; Mahato, Karuna; Khan, Abu T.","Electronic effect of substituents on anilines favors 1,4-addition to trans-β-nitrostyrenes: access to N-substituted 3-arylindoles and 3-arylindoles.","Organic & biomolecular chemistry","2018","16","20","3760","3770","10.1039/c8ob00736e","","","0.71073","MoKα","","0.132","0.0616","","","0.1418","0.2047","","","","","","1.031","","","","has coordinates","230769","2020-10-21","18:00:00",""
"7156231","10.457","0.006","18.104","0.011","11.424","0.007","90","","98.239","0.011","90","","2140","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F2 N2 O4 S -","- C24 H20 F2 N2 O4 S -","- C96 H80 F8 N8 O16 S4 -","4","1","","Yang, Xing; Zhang, Feng; Zhou, Yang; Huang, Yi-Yong","Neighboring phenolic group-activated gem-difluoroallylboration of imines for the catalyst-free synthesis of gem-difluorohomoallylamines.","Organic & biomolecular chemistry","2018","16","18","3367","3371","10.1039/c8ob00541a","","","0.71073","MoKα","","0.0969","0.0596","","","0.1309","0.1482","","","","","","1.052","","","","has coordinates","230823","2020-10-21","18:00:00",""
"7156232","18.2568","0.0005","18.2568","0.0005","33.758","0.0019","90","","90","","90","","11251.9","0.8","296","2","296","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C30 H24 Cl2 I N O2 -","- C30 H24 Cl2 I N O2 -","- C480 H384 Cl32 I16 N16 O32 -","16","","","Baire, Beeraiah; Chinta, Bhavani Shankar; Vasikarla, Kamala Prasad; Sanapa, Harikrishna","Highly, regioselective electrophile induced cyclizations of 2-(prop-1-ynyl)benzamides","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C8OB00434J","","","0.71073","MoKα","","0.0777","0.0472","","","0.1185","0.1487","","","","","","1.125","","","","has coordinates","207489","2020-10-21","18:00:00",""
"7156233","11.8242","0.0005","5.6357","0.0002","20.6262","0.0008","90","","99.544","0.004","90","","1355.46","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H11 N3 O -","- C18 H11 N3 O -","- C72 H44 N12 O4 -","4","2","","Liu, Xiaozu; Zhou, Yuxiang; Chen, Guojun; Yang, Zhongqin; Li, Qin; Liu, Peijun","Iodine-catalyzed oxidative annulation of 3-cyanoacetylindoles with benzylamines: facile access to 5-(3-indolyl)oxazoles.","Organic & biomolecular chemistry","2018","16","19","3572","3575","10.1039/c8ob00833g","","x-ray","1.54184","CuKα","","0.1427","0.1363","","","0.3392","0.3537","","","","","","1.564","","","","has coordinates","230730","2020-10-21","18:00:00",""
"7156234","10.7721","0.0007","9.4199","0.0006","14.3014","0.0008","90","","107.313","0.004","90","","1385.44","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Br N3 O -","- C15 H12 Br N3 O -","- C60 H48 Br4 N12 O4 -","4","1","","Liao, Zhen-Yuan; Yeh, Wen-Hsiung; Liao, Pen-Yuan; Liu, Yu-Ting; Chen, Ying-Cheng; Chen, Yi-Hung; Hsieh, Tsung-Han; Lin, Chia-Chi; Lu, Ming-Hsuan; Chen, Yi-Song; Hsu, Ming-Chih; Li, Tsai-Kun; Chien, Tun-Cheng","Regioselective synthesis and biological evaluation of N-substituted 2-aminoquinazolin-4-ones.","Organic & biomolecular chemistry","2018","16","24","4482","4494","10.1039/c8ob00624e","","","0.71073","MoKα","","0.0634","0.0429","","","0.1144","0.1255","","","","","","1.022","","","","has coordinates","230582","2020-10-21","18:00:00",""
"7156235","6.4056","0.0002","22.7204","0.0007","9.3434","0.0003","90","","100.885","0.002","90","","1335.35","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Br N3 O -","- C15 H12 Br N3 O -","- C60 H48 Br4 N12 O4 -","4","1","","Liao, Zhen-Yuan; Yeh, Wen-Hsiung; Liao, Pen-Yuan; Liu, Yu-Ting; Chen, Ying-Cheng; Chen, Yi-Hung; Hsieh, Tsung-Han; Lin, Chia-Chi; Lu, Ming-Hsuan; Chen, Yi-Song; Hsu, Ming-Chih; Li, Tsai-Kun; Chien, Tun-Cheng","Regioselective synthesis and biological evaluation of N-substituted 2-aminoquinazolin-4-ones.","Organic & biomolecular chemistry","2018","16","24","4482","4494","10.1039/c8ob00624e","","","0.71073","MoKα","","0.0332","0.0258","","","0.0762","0.0914","","","","","","1.201","","","","has coordinates","230582","2020-10-21","18:00:00",""
"7156236","8.9209","0.0003","9.161","0.0003","12.7949","0.0004","101.938","0.002","106.434","0.003","107.197","0.003","908.67","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 N2 O -","- C26 H16 N2 O -","- C52 H32 N4 O2 -","2","1","","Sun, Hongwei; Tang, Shi; Li, Dengke; Zhou, Yali; Huang, Jinbo; Zhu, Qiang","Cascade double isocyanide insertion and C-N coupling of 2-iodo-2'-isocyano-1,1'-biphenyls.","Organic & biomolecular chemistry","2018","16","21","3893","3896","10.1039/c8ob00956b","","","1.54184","CuKα","","0.0527","0.0457","","","0.1501","0.1563","","","","","","1.214","","","","has coordinates","230832","2020-10-21","18:00:00",""
"7156237","5.834","0.0006","36.798","0.004","8.5249","0.0009","90","","103.941","0.003","90","","1776.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Zhang, Wenzheng; Xu, Guangyang; Qiu, Lin; Sun, Jiangtao","Gold-catalyzed C5-alkylation of indolines and sequential oxidative aromatization: access to C5-functionalized indoles.","Organic & biomolecular chemistry","2018","16","21","3889","3892","10.1039/c8ob00826d","","","0.71073","MoKα","","0.1431","0.1017","","","0.2102","0.2301","","","","","","1.12","","","","has coordinates,has disorder","230833","2020-10-21","18:00:00",""
"7156238","21.157","0.006","6.917","0.002","20.174","0.006","90","","98","0.03","90","","2923.6","1.5","293","","293","","","","","","","","see text","5","C 1 2 1","C 2y","5","compound 23","(1R,R~p~)-(1',3',5'(10')-estratrien-3'-ylmethyl) ethyl (1-hydroxy-2-methylsulfanyl-1-phenylethyl)phosphonate","","- C30 H41 O4 P S -","- C30 H41 O4 P S -","- C120 H164 O16 P4 S4 -","4","1","","Prechelmacher, Susanne; Mereiter, Kurt; Hammerschmidt, Friedrich","The α-hydroxyphosphonate-phosphate rearrangement of a noncyclic substrate - some new observations.","Organic & biomolecular chemistry","2018","16","19","3672","3680","10.1039/c8ob00419f","","x-ray","0.71073","MoKα","","0.0558","0.0441","","","0.1031","0.1197","","","","","","1.067","","","","has coordinates","230729","2020-10-21","18:00:00",""
"7156239","13.339","0.005","18.203","0.006","18.304","0.007","106.445","0.004","110.829","0.006","95.262","0.006","3891","2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H100 N2 O3 -","- C99 H100 N2 O3 -","- C198 H200 N4 O6 -","2","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.2317","0.0936","","","0.2036","0.286","","","","","","1.019","","","","has coordinates","230767","2020-10-21","18:00:00",""
"7156240","14.816","0.005","28.03","0.008","12.06","0.004","90","","113.633","0.007","90","","4588","3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H47 N3 O5 S -","- C56 H47 N3 O5 S -","- C224 H188 N12 O20 S4 -","4","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.0503","0.036","","","0.0871","0.0952","","","","","","1.014","","","","has coordinates,has disorder","230767","2020-10-21","18:00:00",""
"7156241","11.365","0.002","13.805","0.002","25.674","0.004","90","","92.439","0.004","90","","4024.4","1.1","143","","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 Cl3 N O -","- C47 H44 Cl3 N O -","- C188 H176 Cl12 N4 O4 -","4","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.1071","0.0671","","","0.1681","0.194","","","","","","1.046","","","","has coordinates,has disorder","230767","2020-10-21","18:00:00",""
"7156242","9.7851","0.0011","10.7442","0.0014","22.106","0.003","103.099","0.007","95.707","0.007","98.173","0.007","2219.6","0.5","123","","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H41 Cl3 F3 N O3 S -","- C50 H41 Cl3 F3 N O3 S -","- C100 H82 Cl6 F6 N2 O6 S2 -","2","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.0712","0.0614","","","0.1657","0.1725","","","","","","1.053","","","","has coordinates,has disorder","230767","2020-10-21","18:00:00",""
"7156243","14.744","0.003","9.8309","0.0015","25.091","0.004","90","","94.077","0.005","90","","3627.7","1.1","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N2 O3 S -","- C44 H40 N2 O3 S -","- C176 H160 N8 O12 S4 -","4","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.0618","0.0466","","","0.1175","0.1255","","","","","","1.037","","","","has coordinates","230767","2020-10-21","18:00:00",""
"7156244","9.0994","0.0006","17.118","0.001","11.3594","0.0009","90","","98.095","0.002","90","","1751.8","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 B4 Cl2 F8 N8 O2 S2 -","- C31 H22 B4 Cl2 F8 N8 O2 S2 -","- C62 H44 B8 Cl4 F16 N16 O4 S4 -","2","0.5","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","1.54178","CuKα","","0.1046","0.0831","","","0.237","0.2575","","","","","","1.082","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156245","10.6491","0.0007","22.7467","0.0013","17.0946","0.001","90","","104.248","0.007","90","","4013.5","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 B4 Cl2 F8 N8 O2 S2 -","- C39 H26 B4 Cl2 F8 N8 O2 S2 -","- C156 H104 B16 Cl8 F32 N32 O8 S8 -","4","1","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","0.71073","MoKα","","0.1126","0.0678","","","0.1705","0.2083","","","","","","1.035","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156246","13.7279","0.0018","8.6809","0.0013","14.7591","0.0017","90","","105.207","0.012","90","","1697.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 B F2 N4 S -","- C19 H11 B F2 N4 S -","- C76 H44 B4 F8 N16 S4 -","4","1","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","0.71073","MoKα","","0.1008","0.0524","","","0.0979","0.1272","","","","","","1.046","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156247","11.0689","0.0006","10.5398","0.0005","25.7733","0.0015","90","","109.097","0.005","90","","2841.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 B F2 N4 O0 S -","- C15 H9 B F2 N4 S -","- C120 H72 B8 F16 N32 S8 -","8","2","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","1.54184","CuKα","","0.16","0.0834","","","0.2111","0.3081","","","","","","1.038","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156248","6.4849","0.0005","7.9199","0.0006","21.9097","0.0017","90","","90","","90","","1125.28","0.15","205","","205","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Wang, Zheng; Xu, Ming-Hua","Highly enantioselective synthesis of α-tertiary chiral amino acid derivatives through rhodium-catalyzed asymmetric arylation of cyclic N-sulfonyl α-ketimino esters.","Organic & biomolecular chemistry","2018","16","25","4633","4640","10.1039/c8ob00840j","","","1.54178","CuKα","","0.0273","0.0271","","","0.0676","0.0677","","","","","","1.096","","","","has coordinates","230754","2020-10-21","18:00:00",""
"7156249","19.0398","0.0014","8.7917","0.0005","15.4377","0.0011","90","","103.834","0.007","90","","2509.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 N3 O6 S -","- C24 H33 N3 O6 S -","- C96 H132 N12 O24 S4 -","4","1","","Bakulina, Olga; Dar'in, Dmitry; Krasavin, Mikhail","Mixed carboxylic-sulfonic anhydride in reaction with imines: a straightforward route to water-soluble β-lactams via a Staudinger-type reaction.","Organic & biomolecular chemistry","2018","16","21","3989","3998","10.1039/c8ob00768c","","","1.5418","CuKα","","0.0673","0.0557","","","0.1369","0.148","","","","","","1.02","","","","has coordinates,has disorder","230835","2020-10-21","18:00:00",""
"7156250","9.843","0.0009","12.3941","0.0011","13.6713","0.0014","75.947","0.006","81.791","0.006","66.836","0.005","1485.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H31 N O4 -","- C38 H31 N O4 -","- C76 H62 N2 O8 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.1355","0.0616","","","0.1288","0.1529","","","","","","1.022","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156251","12.6224","0.0006","13.4198","0.0005","18.628","0.0007","69.695","0.001","86.767","0.001","88.299","0.001","2954.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H31 N O5 -","- C38 H31 N O5 -","- C152 H124 N4 O20 -","4","2","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2026","0.1272","","","0.3182","0.3784","","","","","","1.083","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156252","14.5654","0.0007","22.655","0.0011","8.9813","0.0004","90","","103.56","0.0015","90","","2881","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl N O4 -","- C37 H28 Cl N O4 -","- C148 H112 Cl4 N4 O16 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.112","0.0566","","","0.1165","0.1358","","","","","","1.009","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156253","9.215","0.002","22.358","0.006","17.565","0.004","90","","111.492","0.011","90","","3367.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C144 H112 N8 O16 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2268","0.0925","","","0.2453","0.3002","","","","","","1.024","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156254","8.9074","0.0018","24.06","0.005","11.549","0.002","90","","112.68","","90","","2283.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N O3 -","- C29 H27 N O3 -","- C116 H108 N4 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2624","0.1687","","","0.4176","0.4641","","","","","","1.053","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156255","8.7048","0.0008","19.6596","0.0019","22.0693","0.0019","90","","90","","90","","3776.8","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Br N O3 -","- C22 H20 Br N O3 -","- C176 H160 Br8 N8 O24 -","8","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.1146","0.0516","","","0.113","0.1455","","","","","","1.06","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156256","17.485","0.005","23.214","0.007","13.752","0.006","90","","90.437","0.013","90","","5582","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C224 H192 N16 O40 -","8","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2778","0.1179","","","0.2924","0.3805","","","","","","1.009","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156257","15.2237","0.0016","12.7126","0.0013","15.0411","0.0015","90","","119.6","","90","","2531.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2 N2 O3 -","- C28 H26 Cl2 N2 O3 -","- C112 H104 Cl8 N8 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.1457","0.0662","","","0.174","0.2021","","","","","","0.973","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156258","7.3088","0.0004","12.204","0.0006","12.7704","0.0006","110.563","0.0015","96.8007","0.0014","96.6011","0.0016","1043.87","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C54 H48 N4 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.07","0.0461","","","0.103","0.1143","","","","","","1.031","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156259","12.2787","0.0015","8.6166","0.0011","16.4475","0.0019","90","","103.03","0.005","90","","1695.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.0823","0.0509","","","0.1071","0.1188","","","","","","1.053","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156260","9.6235","0.0006","13.3554","0.0009","16.7938","0.0009","90","","90","","90","","2158.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O6 -","- C23 H22 N2 O6 -","- C92 H88 N8 O24 -","4","1","","Chen, Jin-Quan; Mi, Yang; Shi, Zi-Fa; Cao, Xiao-Ping","Construction of the tetracyclic core of (±)-cycloclavine and 4-amino Uhle's ketone.","Organic & biomolecular chemistry","2018","16","20","3801","3808","10.1039/c7ob03067c","","","0.71073","MoKα","","0.1153","0.0646","","","0.1298","0.1635","","","","","","1.046","","","","has coordinates","230768","2020-10-21","18:00:00",""
"7156261","10.1121","0.0007","10.442","0.0006","12.0205","0.0014","95.695","0.008","91.086","0.008","97.671","0.005","1251.02","0.19","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H21 Cl N2 O -","- C11 H21 Cl N2 O -","- C44 H84 Cl4 N8 O4 -","4","2","","Alzahrani, Abdullah; Mirallai, Styliana I.; Chalmers, Benjamin A.; McArdle, Patrick; Aldabbagh, Fawaz","Synthesis of N-[(dialkylamino)methyl]acrylamides and N-[(dialkylamino)methyl]methacrylamides from Schiff base salts: useful building blocks for smart polymers.","Organic & biomolecular chemistry","2018","16","22","4108","4116","10.1039/c8ob00811f","","","0.71073","MoKα","","0.1018","0.0684","","","0.1965","0.2128","","","","","","0.979","","","","has coordinates","230600","2020-10-21","18:00:00",""
"7156262","11.319","0.0018","10.9194","0.0016","7.7658","0.001","90","","90.269","0.013","90","","959.8","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl N O -","- C8 H18 Cl N O -","- C32 H72 Cl4 N4 O4 -","4","1","","Alzahrani, Abdullah; Mirallai, Styliana I.; Chalmers, Benjamin A.; McArdle, Patrick; Aldabbagh, Fawaz","Synthesis of N-[(dialkylamino)methyl]acrylamides and N-[(dialkylamino)methyl]methacrylamides from Schiff base salts: useful building blocks for smart polymers.","Organic & biomolecular chemistry","2018","16","22","4108","4116","10.1039/c8ob00811f","","","0.71073","MoKα","","0.0992","0.0857","","","0.2083","0.2182","","","","","","1.119","","","","has coordinates,has disorder","230600","2020-10-21","18:00:00",""
"7156263","10.2591","0.0006","9.6617","0.0005","30.5377","0.0016","90","","90","","90","","3026.9","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Febrifugine","Febrifugine","","- C16 H19 N3 O3 -","- C16 H19 N3 O3 -","- C128 H152 N24 O24 -","8","1","","Maiden, T. M. M.; Mbelesi, N.; Procopiou, P. A.; Swanson, S.; Harrity, J. P. A.","A convergent strategy towards febrifugine and related compounds.","Organic & biomolecular chemistry","2018","16","22","4159","4169","10.1039/c8ob00935j","","","1.54178","CuKα","","0.1345","0.0784","","","0.0831","0.0889","","","","","","1.517","","","","has coordinates","230598","2020-10-21","18:00:00",""
"7156264","10.585","0.002","8.8309","0.0018","15.039","0.003","90","","96.741","0.003","90","","1396.1","0.5","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl N4 -","- C15 H15 Cl N4 -","- C60 H60 Cl4 N16 -","4","1","","Jia, Feng-Cheng; Xu, Cheng; Wang, Yu-Wei; Chen, Zhi-Peng; Chen, Yun-Feng; Wu, An-Xin","Copper-catalyzed ambient-temperature decarboxylative annulation of isatins with amidine hydrochlorides: a facile access to 2-(1,3,5-triazin-2-yl)aniline derivatives.","Organic & biomolecular chemistry","2018","16","23","4223","4226","10.1039/c8ob00904j","","","0.71073","MoKα","","0.0784","0.0582","","","0.1829","0.2028","","","","","","1.005","","","","has coordinates","230830","2020-10-21","18:00:00",""
"7156265","40.319","0.005","8.136","0.005","8.974","0.005","90","0.005","90","0.005","90","0.005","2944","2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H26 Br2 Cl0 N4 O2 Pd -","- C30 H26 Br2 N4 O2 Pd -","- C120 H104 Br8 N16 O8 Pd4 -","4","1","","Panyam, Pradeep Kumar Reddy; Sreedharan, Ramdas; Gandhi, Thirumanavelan","Synthesis of topologically constrained naphthalimide appended palladium(ii)-N-heterocyclic carbene complexes - insights into additive controlled product selectivity.","Organic & biomolecular chemistry","2018","16","23","4357","4364","10.1039/c8ob00616d","","","0.71073","MoKα","","0.0421","0.0342","","","0.0708","0.0738","","","","","","1.075","","","","has coordinates","230831","2020-10-21","18:00:00",""
"7156266","21.0973","0.0005","11.579","0.0003","14.9601","0.0004","90","","109.03","0.002","90","","3454.81","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H112 N2 O8 P2 -","- C72 H112 N2 O8 P2 -","- C144 H224 N4 O16 P4 -","2","0.5","","Iadevaia, Giulia; Núñez-Villanueva, Diego; Stross, Alexander E.; Hunter, Christopher A.","Backbone conformation affects duplex initiation and duplex propagation in hybridisation of synthetic H-bonding oligomers.","Organic & biomolecular chemistry","2018","16","22","4183","4190","10.1039/c8ob00819a","","","0.71073","MoKα","","0.1938","0.154","","","0.4485","0.4875","","","","","","1.904","","","","has coordinates,has disorder","230597","2020-10-21","18:00:00",""
"7156267","5.4408","0.0004","10.1935","0.0009","27.458","0.002","90","","91.789","0.008","90","","1522.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Zhang, Yixin; Ma, Haojie; Liu, Xingxing; Cui, Xinfeng; Wang, Shaohua; Zhan, Zhenzhen; Pu, Jinghong; Huang, Guosheng","The synthesis of multi-substituted pyrrolidinones via a direct [3 + 2] cycloaddition of azaoxyallyl cations with aromatic ethylenes.","Organic & biomolecular chemistry","2018","16","24","4439","4442","10.1039/c8ob00899j","","","0.71073","MoKα","","0.1325","0.0649","","","0.1389","0.1798","","","","","","1.028","","","","has coordinates","230583","2020-10-21","18:00:00",""
"7156268","10.215","0.0009","11.4694","0.0012","12.0747","0.0013","115.285","0.01","93.898","0.008","92.846","0.008","1271.3","0.2","293","2","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C24 H32 Br O4 P -","- C24 H32 Br O4 P -","- C48 H64 Br2 O8 P2 -","2","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.","Organic & biomolecular chemistry","2018","16","25","4623","4627","10.1039/c8ob01017j","","","0.71075","MoKα","","0.2108","0.0793","","","0.193","0.2998","","","","","","0.979","","","","has coordinates","230757","2020-10-21","18:00:00",""
"7156269","9.947","0.003","15.743","0.004","18.185","0.005","90","","90","","90","","2847.7","1.4","293","2","293","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N2 O4 P -","- C27 H39 N2 O4 P -","- C108 H156 N8 O16 P4 -","4","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.","Organic & biomolecular chemistry","2018","16","25","4623","4627","10.1039/c8ob01017j","","","0.71075","MoKα","","0.0719","0.0492","","","0.1194","0.1284","","","","","","0.949","","","","has coordinates","230757","2020-10-21","18:00:00",""
"7156270","7.8543","0.0005","20.6582","0.0009","8.3912","0.0005","90","","116.689","0.008","90","","1216.46","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H Br0 N O -","- C2.6087 Br0.173913 O0.347826 -","- C60 Br4 O8 -","23","5.75","","Wang, Rui-Xiang; Yuan, Si-Tian; Liu, Jin-Biao; Wu, Jie; Qiu, Guanyinsheng","Regioselective 5-exo-dig oxy-cyclization of 2-alkynylbenzamide for the synthesis of isobenzofuran-1-imines and isobenzofuran.","Organic & biomolecular chemistry","2018","16","24","4501","4508","10.1039/c8ob00779a","","x-ray","1.54184","CuKα","","0.2157","0.2119","","","0.6061","0.6139","","","","","","6.194","","","","has coordinates","230584","2020-10-21","18:00:00",""
"7156271","4.568","0.0003","16.1861","0.0008","15.8035","0.001","90","","115.336","0.007","90","","1056.09","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 F3 N2 O2 -","- C11 H7 F3 N2 O2 -","- C44 H28 F12 N8 O8 -","4","1","","You, Chang; Yuan, Tingting; Huang, Yanzhen; Pi, Chao; Wu, Yangjie; Cui, Xiuling","Rhodium-catalyzed regioselective C8-H amination of quinoline N-oxides with trifluoroacetamide at room temperature.","Organic & biomolecular chemistry","2018","16","25","4728","4733","10.1039/c8ob01108g","","x-ray","1.54184","CuKα","","0.0513","0.0438","","","0.131","0.1427","","","","","","1.04","","","","has coordinates,has disorder","230758","2020-10-21","18:00:00",""
"7156272","9.2521","0.0005","9.8028","0.0005","9.9294","0.0005","75.679","0.001","88.544","0.002","79.757","0.002","858.51","0.08","120","2","120.05","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C38 H42 N2 O10 -","2","1","","Chen, Rongxiang; Ogunlana, Abosede Adejoke; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Bao, Xiaoguang; Wan, Xiaobing","In situ generation of nitrile oxides from copper carbene and tert-butyl nitrite: synthesis of fully substituted isoxazoles.","Organic & biomolecular chemistry","2018","16","25","4683","4687","10.1039/c8ob01067f","","","0.71073","MoKα","","0.0427","0.0368","","","0.1098","0.1212","","","","","","1.151","","","","has coordinates","230753","2020-10-21","18:00:00",""
"7156273","6.2246","0.0002","26.4216","0.0012","8.1454","0.0004","90","","93.774","0.003","90","","1336.72","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S*,2S*,3S*,4S*,5S*)-6-butyl-5-(hydroxymethyl)-6-azabicyclo[3.2.0]heptane-2,3,4-triol","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","2","","Malinowski, Maciej; Hensienne, Raphaël; Kern, Nicolas; Tardieu, Damien; Bodlenner, Anne; Hazelard, Damien; Compain, Philippe","Stereocontrolled synthesis of polyhydroxylated bicyclic azetidines as a new class of iminosugars.","Organic & biomolecular chemistry","2018","16","25","4688","4700","10.1039/c8ob01065j","","","1.54178","CuKα","","0.1035","0.0902","","","0.2406","0.2501","","","","","","1.117","","","","has coordinates","230752","2020-10-21","18:00:00",""
"7156274","10.5259","0.0011","10.5345","0.0011","10.834","0.0011","91.068","0.006","104.536","0.007","100.359","0.007","1141.4","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C52 H48 N4 O10 S2 -","2","1","","de la Concepción, Juan García; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","On the dual reactivity of a Janus-type mesoionic dipole: experiments and theoretical validation.","Organic & biomolecular chemistry","2018","16","26","4778","4783","10.1039/c8ob01195h","","x-ray","1.54187","CuKα","","0.1098","0.0839","","","0.2221","0.2507","","","","","","1.133","","","","has coordinates","230698","2020-10-21","18:00:00",""
"7156275","11.8735","0.0003","18.6709","0.0004","11.878","0.0003","90","","90","","90","","2633.22","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H27 N3 O4 S -","- C31 H27 N3 O4 S -","- C124 H108 N12 O16 S4 -","4","1","","de la Concepción, Juan García; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","On the dual reactivity of a Janus-type mesoionic dipole: experiments and theoretical validation.","Organic & biomolecular chemistry","2018","16","26","4778","4783","10.1039/c8ob01195h","","x-ray","0.71073","MoKα","","0.0315","0.0295","","","0.0712","0.0723","","","","","","1.038","","","","has coordinates","230698","2020-10-21","18:00:00",""
"7156276","7.5123","0.0003","12.1628","0.0006","12.1719","0.0004","63.522","0.001","79.736","0.001","89.681","0.002","976.11","0.07","303","2","303","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Br O4 S -","- C20 H19 Br O4 S -","- C40 H38 Br2 O8 S2 -","2","1","","Hou, Yading; Zhang, Yuwen; Tong, Xiaofeng","Phosphine-catalysed α-umpolung addition of nucleophiles to δ-acetoxy allenoates: stereoselective synthesis of 2,4-dienoates.","Organic & biomolecular chemistry","2018","16","29","5245","5249","10.1039/c8ob00933c","","","0.71073","MoKα","","0.0978","0.0427","","","0.0926","0.1121","","","","","","1.016","","","","has coordinates","230576","2020-10-21","18:00:00",""
"7156277","17.9063","0.0005","21.5998","0.0006","33.6902","0.0009","90","","90","","90","","13030.4","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","compound 6a","[nBu4N][(N?-(hydroxy-kappaO)-N-{2-(hydroxy-kappaO)phenyl}-2-methyl?propan?imid-amidato-kappaN)(phenyl)borate]","","- C32 H52 B N3 O2 -","- C32 H52 B N3 O2 -","- C512 H832 B16 N48 O32 -","16","2","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.1221","0.074","","","0.2023","0.2436","","","","","","1.028","","","","has coordinates","230703","2020-10-21","18:00:00",""
"7156278","8.9","0.0002","9.5626","0.0003","15.9864","0.0005","90","","98.4476","0.001","90","","1345.8","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound 7","3,7a-Diphenyl-5,6-dihydro[1,3]oxazolo[3,2-d][1,2,4]oxadiazole","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.0409","0.0403","","","0.1058","0.1064","","","","","","1.034","","","","has coordinates","230703","2020-10-21","18:00:00",""
"7156279","9.7871","0.0003","17.5209","0.0004","19.0833","0.0005","90","","94.1963","0.0016","90","","3263.61","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 6b","Tetra-n-butylammonium {N?-(hydroxy-kappaO)-N-{2-(hydroxy-kappaO)phenyl}-benzene?carboximidamidato-kappaN}(phenyl)borate","","- C35 H50 B N3 O2 -","- C35 H50 B N3 O2 -","- C140 H200 B4 N12 O8 -","4","1","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.0727","0.0624","","","0.1706","0.1793","","","","","","1.051","","","","has coordinates","230703","2020-10-21","18:00:00",""
"7156280","12.7713","0.0002","7.9352","0.00014","17.9462","0.0003","90","","94.7903","0.0007","90","","1812.37","0.05","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound 2","4-(2-methyl-4-phenyl-1,3,5,2-oxadiazaborol-3(2H)-yl)benzenesulfonamide","","- C17 H21 B N3 O3 S -","- C17 H21 B N3 O3 S -","- C68 H84 B4 N12 O12 S4 -","4","1","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.0579","0.0553","","","0.1678","0.1704","","","","","","1.08","","","","has coordinates,has disorder","230703","2020-10-21","18:00:00",""
"7156281","5.6897","0.0003","11.2486","0.0005","45.457","0.002","90","","90","","90","","2909.3","0.2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 Br N O4 S -","- C28 H44 Br N O4 S -","- C112 H176 Br4 N4 O16 S4 -","4","1","","Guerola, Marta; Escolano, Marcos; Alzuet-Piña, Gloria; Gómez-Bengoa, Enrique; Ramírez de Arellano, Carmen; Sánchez-Roselló, María; Del Pozo, Carlos","Synthesis of substituted piperidines by enantioselective desymmetrizing intramolecular aza-Michael reactions.","Organic & biomolecular chemistry","2018","16","25","4650","4658","10.1039/c8ob01139g","","","0.71073","MoKα","","0.0865","0.0663","","","0.1092","0.117","","","","","","1.154","","","","has coordinates","230755","2020-10-21","18:00:00",""
"7156282","19.497","0.005","8.597","0.002","19.553","0.004","90","","90","","90","","3277.4","1.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C160 H152 N24 O8 -","8","1","","Kumar, Avnish; Tiwari, Dharmendra Kumar; Sridhar, Balasubramanian; Likhar, Pravin R.","Unprecedented synthesis of 1,2,3-triazolo-cinnolinone via Sonogashira coupling and intramolecular cyclization.","Organic & biomolecular chemistry","2018","16","26","4840","4848","10.1039/c8ob01152d","","","0.71073","MoKα","","0.053","0.044","","","0.1133","0.1199","","","","","","1.047","","","","has coordinates","230700","2020-10-21","18:00:00",""
"7156283","12.1505","0.0014","10.471","0.0013","10.2881","0.0014","90","","90","","90","","1308.9","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 F2 N4 O8 -","- C10 H10 F2 N4 O8 -","- C40 H40 F8 N16 O32 -","4","0.5","","Zhang, Jian; Ling, Yi-Fei; Wang, Gui-Xiang; Zhang, Lin; Luo, Jun","Synthesis of two new gem-fluoronitro containing tetranitroadamantanes and property comparison with their nitro and gem-dinitro analogues.","Organic & biomolecular chemistry","2018","16","26","4784","4788","10.1039/c8ob01140k","","","0.71073","MoKα","","0.0593","0.0509","","","0.1354","0.142","","","","","","1.067","","","","has coordinates","230699","2020-10-21","18:00:00",""
"7156284","25.58","0.02","7.18","0.005","16.94","0.015","90","","125.27","0.03","90","","2540","4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H38 N2 O3 S -","- C25 H38 N2 O3 S -","- C100 H152 N8 O12 S4 -","4","1","","Kennington, Stuart C. D.; Gómez-Palomino, Alejandro; Salomó, Ernest; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","General and stereoselective aminoxylation of biradical titanium(iv) enolates with TEMPO: a detailed study on the effect of the chiral auxiliary.","Organic & biomolecular chemistry","2018","16","26","4807","4815","10.1039/c8ob01074a","","","0.71073","MoKα","","0.0631","0.052","","","0.1416","0.1499","","","","","","1.047","","","","has coordinates","230702","2020-10-21","18:00:00",""
"7156285","7.3579","0.0003","8.8158","0.0004","15.8511","0.0007","85.431","0.001","88.543","0.001","72.739","0.001","978.77","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 Br N3 O5 S -","- C19 H16 Br N3 O5 S -","- C38 H32 Br2 N6 O10 S2 -","2","1","","Zhao, Mei-Xin; Dong, Zhi-Wen; Zhu, Guang-Yu; Zhao, Xiao-Li; Shi, Min","Diastereo- and enantioselective Mannich/cyclization cascade reaction of isocyanoacetates with cyclic sulfamide ketimines by cinchona alkaloid squaramide/AgOAc cooperative catalysis.","Organic & biomolecular chemistry","2018","16","25","4641","4649","10.1039/c8ob01090k","","","0.71073","MoKα","","0.0397","0.0342","","","0.0907","0.0941","","","","","","1.057","","","","has coordinates","230756","2020-10-21","18:00:00",""
"7156286","10.1449","0.0002","11.6133","0.0003","40.0056","0.0009","90","","90","","90","","4713.29","0.19","302","2","301.85","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 1-((4,4-dimethyl-3-phenyl-4,5-dihydroisoxazol-5-yl)methyl)-4-phenylisoquinoline-3-carboxylate","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C232 H208 N16 O24 -","8","1","","Xu, Yulong; Chen, Hao; Li, Wei; Xie, Qiong; Yu, Linqian; Shao, Liming","Synthetic access to isoxazoline-functionalized isoquinolines via microwave-assisted iminoxyl radical-participated cascade cyclization of vinyl isocyanides.","Organic & biomolecular chemistry","2018","16","27","4996","5005","10.1039/c8ob01229f","","","1.54178","CuKα","","0.0668","0.051","","","0.1284","0.1408","","","","","","1.021","","","","has coordinates","230618","2020-10-21","18:00:00",""
"7156287","10.471","0.004","10.038","0.003","13.551","0.005","90","","101.028","0.005","90","","1398","0.9","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 O3 S -","- C14 H11 N3 O3 S -","- C56 H44 N12 O12 S4 -","4","1","","Wang, Qijun; Wang, Chang; Shi, Wangyu; Xiao, Yumei; Guo, Hongchao","Pd-Catalyzed diastereoselective [3 + 2] cycloaddition of vinylcyclopropanes with sulfamate-derived cyclic imines.","Organic & biomolecular chemistry","2018","16","26","4881","4887","10.1039/c8ob01231h","","","0.71073","MoKα","","0.0595","0.0545","","","0.124","0.1274","","","","","","1.138","","","","has coordinates","230701","2020-10-21","18:00:00",""
"7156288","6.2383","0.0001","15.367","0.0002","32.9494","0.0005","90","","90","","90","","3158.66","0.08","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 Cl N3 Ni O4 -","- C36 H40 Cl N3 Ni O4 -","- C144 H160 Cl4 N12 Ni4 O16 -","4","1","","Takeda, Ryosuke; Kawamura, Akie; Kawashima, Aki; Sato, Tatsunori; Moriwaki, Hiroki; Izawa, Kunisuke; Abe, Hidenori; Soloshonok, Vadim A.","Second-order asymmetric transformation and its application for the practical synthesis of α-amino acids.","Organic & biomolecular chemistry","2018","16","27","4968","4972","10.1039/c8ob00963e","","x-ray","1.54184","CuKα","","0.0308","0.0288","","","0.0691","0.0702","","","","","","1.043","","","","has coordinates","230624","2020-10-21","18:00:00",""
"7156289","10.287","0.002","11.291","0.002","20.866","0.004","90","","90","","90","","2423.6","0.8","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 O4 -","- C15 H14 O4 -","- C120 H112 O32 -","8","1","","Hsu, Day-Shin; Liou, Chang-Yan","Total synthesis and structural revision of (±)-nidemone.","Organic & biomolecular chemistry","2018","16","27","4990","4995","10.1039/c8ob01207e","","","0.71073","MoKα","","0.0506","0.0406","","","0.1168","0.1315","","","","","","1.09","","","","has coordinates","230622","2020-10-21","18:00:00",""
"7156290","14.1176","0.0003","22.1778","0.0004","11.231","0.0002","90","","100.087","0.0019","90","","3462.05","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 F24 N4 P4 -","- C56 H40 F24 N4 P4 -","- C112 H80 F48 N8 P8 -","2","0.5","","Chen, Long; Lim, Kate J. C.; Babra, Tahkur S.; Taylor, James O.; PiŽl, Martin; Evans, Robert; Chippindale, Ann M.; Hartl, František; Colquhoun, Howard M.; Greenland, Barnaby W.","A macrocyclic receptor containing two viologen species connected by conjugated terphenyl groups.","Organic & biomolecular chemistry","2018","16","27","5006","5015","10.1039/c8ob00919h","","","1.5418","CuKα","","0.0883","0.076","","0.0895","0.0847","0.083","","","","","","0.9403","","","","has coordinates","230621","2020-10-21","18:00:00",""
"7156291","23.0931","0.0006","6.0038","0.0002","29.114","0.0007","90","","99.674","0.001","90","","3979.15","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C168 H224 N16 O16 -","8","1","","Wei, Yuanyuan; Wang, Jie; Wang, Yajun; Yao, Xiaoqiang; Yang, Caixia; Huo, Congde","Auto-oxidation promoted sp<sup>3</sup> C-H arylation of glycine derivatives.","Organic & biomolecular chemistry","2018","16","27","4985","4989","10.1039/c8ob01068d","","","0.71073","MoKα","","0.0737","0.0552","","","0.1524","0.1624","","","","","","0.986","","","","has coordinates","230625","2020-10-21","18:00:00",""
"7156292","8.8458","0.0007","12.0478","0.0009","13.9043","0.001","89.408","0.006","83.302","0.006","72.134","0.007","1400.22","0.19","108.5","0.5","108.5","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 B Cl2 F4 N2 -","- C31 H25 B Cl2 F4 N2 -","- C62 H50 B2 Cl4 F8 N4 -","2","1","","Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin","Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.","Organic & biomolecular chemistry","2018","16","27","5021","5026","10.1039/c8ob01182f","","x-ray","0.71073","MoKα","","0.0865","0.0502","","","0.0968","0.1089","","","","","","1.016","","","","has coordinates","230619","2020-10-21","18:00:00",""
"7156293","7.5213","0.0002","16.0289","0.0005","17.7564","0.0006","90","","91.742","0.003","90","","2139.69","0.11","135","0.1","135","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cl Ir N2 -","- C25 H26 Cl Ir N2 -","- C100 H104 Cl4 Ir4 N8 -","4","2","","Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin","Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.","Organic & biomolecular chemistry","2018","16","27","5021","5026","10.1039/c8ob01182f","","x-ray","0.71073","MoKα","","0.0358","0.0316","","","0.0487","0.0504","","","","","","1.011","","","","has coordinates","230619","2020-10-21","18:00:00",""
"7156294","13.7632","0.0009","12.7539","0.0009","16.2519","0.0013","90","","99.002","0.007","90","","2817.6","0.4","135","0.1","135","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Cl2 F6 N2 P -","- C30 H23 Cl2 F6 N2 P -","- C120 H92 Cl8 F24 N8 P4 -","4","1","","Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin","Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.","Organic & biomolecular chemistry","2018","16","27","5021","5026","10.1039/c8ob01182f","","x-ray","0.71073","MoKα","","0.1155","0.0775","","","0.1685","0.1937","","","","","","1.034","","","","has coordinates,has disorder","230619","2020-10-21","18:00:00",""
"7156295","11.66","0.014","12.07","0.009","18.027","0.013","90","","100.58","0.07","90","","2494","4","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 O4 Si -","- C26 H32 O4 Si -","- C104 H128 O16 Si4 -","4","1","","Acharyya, Ranjan Kumar; Nanda, Samik","Asymmetric total synthesis of naturally occurring spirocyclic tetranorsesquiterpenoid lanceolactone A.","Organic & biomolecular chemistry","2018","16","27","5027","5035","10.1039/c8ob01328d","","","0.71073","MoKα","","0.1092","0.0499","","","0.1272","0.1623","","","","","","0.894","","","","has coordinates","230620","2020-10-21","18:00:00",""
"7156296","17.347","0.002","8.8962","0.0015","14.148","0.002","90","","112.523","0.014","90","","2016.8","0.5","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 B F5 N3 O S -","- C20 H17 B F5 N3 O S -","- C80 H68 B4 F20 N12 O4 S4 -","4","1","","Lugovik, Kseniya I.; Eltyshev, Alexander K.; Suntsova, Polina O.; Smoluk, Leonid T.; Belousova, Anna V.; Ulitko, Maria V.; Minin, Artem S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Fluorescent boron complexes based on new N,O-chelates as promising candidates for flow cytometry.","Organic & biomolecular chemistry","2018","16","28","5150","5162","10.1039/c8ob00868j","","","0.71073","MoKα","","0.207","0.05","","","0.0888","0.1009","","","","","","1","","","","has coordinates,has disorder","230577","2020-10-21","18:00:00",""
"7156297","15.5285","0.0011","12.2909","0.0009","18.3647","0.0013","90","","90","","90","","3505.1","0.4","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cl N O3 S -","- C19 H18 Cl N O3 S -","- C152 H144 Cl8 N8 O24 S8 -","8","1","","Maheshwar Rao, B.; Yadav, J. S.; Sridhar, B.; Subba Reddy, B. V.","Silver(i)-catalyzed sequential hydroamination and Prins type cyclization for the synthesis of fused benzo-δ-sultams.","Organic & biomolecular chemistry","2018","16","28","5163","5166","10.1039/c8ob00918j","","","0.71073","MoKα","","0.0649","0.0575","","","0.1637","0.1716","","","","","","1.062","","","","has coordinates","230580","2020-10-21","18:00:00",""
"7156298","8.719","0.002","9.572","0.002","12.839","0.003","73.103","0.003","81.352","0.003","77.937","0.003","998","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 F2 O2 -","- C26 H30 F2 O2 -","- C52 H60 F4 O4 -","2","1","","Singh, Kamaljeet; Trinh, Winston; Latifi, Reza; Weaver, Jimmie D.","An elusive thermal [2 + 2] cycloaddition driven by visible light photocatalysis: tapping into strain to access C2-symmetric tricyclic rings.","Organic & biomolecular chemistry","2019","17","7","1854","1861","10.1039/c8ob01273c","","","0.71073","MoKα","","0.072","0.0526","","","0.1284","0.1389","","","","","","1.032","","","","has coordinates","225204","2020-10-21","18:00:00",""
"7156299","14.3431","0.0018","9.3243","0.0012","15.4742","0.0019","90","","111.719","0.002","90","","1922.6","0.4","100","","100","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(5aS,5bS)-5a,5b-diphenyltetradecahydrocyclobuta[1,2:3,4]di[7]annulene","","- C26 H32 -","- C26 H32 -","- C104 H128 -","4","1","","Singh, Kamaljeet; Trinh, Winston; Latifi, Reza; Weaver, Jimmie D.","An elusive thermal [2 + 2] cycloaddition driven by visible light photocatalysis: tapping into strain to access C2-symmetric tricyclic rings.","Organic & biomolecular chemistry","2019","17","7","1854","1861","10.1039/c8ob01273c","","","0.71073","MoKα","","0.0778","0.0464","","","0.0975","0.1116","","","","","","1.022","","","","has coordinates","225204","2020-10-21","18:00:00",""
"7156300","24.779","0.003","8.6962","0.001","17.543","0.002","90","","100.152","0.002","90","","3721","0.8","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(5aS,5bS,10aS,10bS)-5a,5b-di(pyridin-2-yl)tetradecahydrocyclobuta[1,2:3,4]di[7]annulene","","- C24 H30 N2 -","- C24 H30 N2 -","- C192 H240 N16 -","8","1","","Singh, Kamaljeet; Trinh, Winston; Latifi, Reza; Weaver, Jimmie D.","An elusive thermal [2 + 2] cycloaddition driven by visible light photocatalysis: tapping into strain to access C2-symmetric tricyclic rings.","Organic & biomolecular chemistry","2019","17","7","1854","1861","10.1039/c8ob01273c","","","0.71073","MoKα","","0.0565","0.0495","","","0.1293","0.1339","","","","","","1.05","","","","has coordinates","225204","2020-10-21","18:00:00",""
"7156301","8.0402","0.0017","9.8828","0.0018","13.696","0.002","99.883","0.015","90.997","0.015","109.551","0.018","1007","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N3 O2 -","- C22 H27 N3 O2 -","- C44 H54 N6 O4 -","2","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.1095","0.0485","","","0.1226","0.1717","","","","","","0.888","","","","has coordinates,has disorder","230578","2020-10-21","18:00:00",""
"7156302","9.955","0.002","15.804","0.003","13.546","0.002","90","","108.143","0.016","90","","2025.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O2 -","- C26 H19 N3 O2 -","- C104 H76 N12 O8 -","4","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.1626","0.0694","","","0.1651","0.2267","","","","","","0.915","","","","has coordinates","230578","2020-10-21","18:00:00",""
"7156303","8.6576","0.0005","15.744","0.0009","16.1197","0.0009","89.599","0.004","78.285","0.005","84.114","0.005","2139.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H60 N4 O4 -","- C49 H60 N4 O4 -","- C98 H120 N8 O8 -","2","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.0639","0.048","","","0.1309","0.157","","","","","","1.063","","","","has coordinates","230578","2020-10-21","18:00:00",""
"7156304","13.6871","0.0008","18.5215","0.0011","18.0498","0.001","90","","108.711","0.005","90","","4333.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H68 N4 O4 -","- C45 H68 N4 O4 -","- C180 H272 N16 O16 -","4","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.0796","0.0495","","","0.1247","0.1561","","","","","","1.046","","","","has coordinates,has disorder","230578","2020-10-21","18:00:00",""
"7156305","9.683","0.003","21.363","0.006","14.386","0.004","90","","109.097","0.003","90","","2812.1","1.4","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 N2 O3 -","- C33 H39 N2 O3 -","- C132 H156 N8 O12 -","4","1","","Liu, Qi; Liu, Jie-Jie; Cheng, Liang; Wang, Dong; Liu, Li","TEMPO promoted direct multi-functionalization of terminal alkynes with 2-oxindoles/benzofuran-2(3H)-one.","Organic & biomolecular chemistry","2018","16","29","5228","5231","10.1039/c8ob01380b","","","0.71073","MoKα","","0.0826","0.0748","","","0.1671","0.1726","","","","","","1.178","","","","has coordinates","230575","2020-10-21","18:00:00",""
"7156306","13.5505","0.0019","14.85","0.002","16.762","0.002","90","","90","","90","","3372.9","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 N4 O3 S2 -","- C34 H46 N4 O3 S2 -","- C136 H184 N16 O12 S8 -","4","1","","Huang, Yin-Hui; Jin, Xian-Yi; Zhao, Yong-Yi; Cong, Hang; Tao, Zhu","A fluorescence-enhanced chemosensor based on multifarene[2,2] and its recognition of metal cations.","Organic & biomolecular chemistry","2018","16","29","5343","5349","10.1039/c8ob01315b","","","0.71073","MoKα","","0.1665","0.1028","","","0.256","0.3001","","","","","","1.065","","","","has coordinates","230574","2020-10-21","18:00:00",""
"7156307","7.8053","0.0018","8.2606","0.0017","11.869","0.002","91.064","0.017","108.89","0.02","113.92","0.02","651.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(3-(3-nitro-2H-indazol-2-yl)phenyl)ethanone","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C30 H22 N6 O6 -","2","1","","Murugan, Arumugavel; Gorantla, Koteswar Rao; Mallik, Bhabani S.; Sharada, Duddu S.","Iron promoted C3-H nitration of 2H-indazole: direct access to 3-nitro-2H-indazoles.","Organic & biomolecular chemistry","2018","16","28","5113","5118","10.1039/c8ob00931g","","","0.71073","MoKα","","0.1431","0.0643","","","0.106","0.1402","","","","","","1.0545","","","","has coordinates","230579","2020-10-21","18:00:00",""
"7156308","8.7773","0.0004","16.6542","0.0008","21.9525","0.001","90","","90","","90","","3209","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 N2 O -","- C43 H38 N2 O -","- C172 H152 N8 O4 -","4","1","","Wu, Jia-Le; Wang, Cong-Shuai; Wang, Jin-Rong; Mei, Guang-Jian; Shi, Feng","A catalytic asymmetric interrupted Nazarov-type cyclization of 2-indolylmethanols with cyclic enaminones.","Organic & biomolecular chemistry","2018","16","30","5457","5464","10.1039/c8ob01427b","","","1.34139","GaKα","","0.0421","0.0366","","","0.0814","0.085","","","","","","1.03","","","","has coordinates","230806","2020-10-21","18:00:00",""
"7156309","9.541","0.003","14.222","0.004","12.432","0.003","90","","110.54","0.03","90","","1579.7","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","biphenyl","4'-Bromo-3-piperidin-1-yl-biphenyl-4-carbonitrile","","- C18 H17 Br N2 -","- C18 H17 Br N2 -","- C72 H68 Br4 N8 -","4","1","","Yadav, Pratik; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra","Base controlled diverse reactivity of allyl cyanide for synthesis of multi-substituted benzenes.","Organic & biomolecular chemistry","2018","16","30","5465","5473","10.1039/c8ob01270a","","","0.71073","MoKα","","0.1354","0.065","","","0.1571","0.1983","","","","","","1.032","","","","has coordinates","230807","2020-10-21","18:00:00",""
"7156310","11.8968","0.0011","18.4254","0.0017","10.7033","0.0008","90","","103.556","0.008","90","","2280.8","0.4","293","2","293","2","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","","Unknown","","- C23 H25 F N3 O4 -","- C23 H25 F N3 O4 -","- C92 H100 F4 N12 O16 -","4","1","","Mukhopadhyay, Soumendranath; Pan, Subhas Chandra","An organocatalytic asymmetric Mannich reaction for the synthesis of 3,3-disubstituted-3,4-dihydro-2-quinolones.","Organic & biomolecular chemistry","2018","16","30","5407","5411","10.1039/c8ob01399c","","x-ray","0.71073","MoKα","","0.0982","0.0567","","","0.1208","0.1468","","","","","","1.051","","","","has coordinates","230803","2020-10-21","18:00:00",""
"7156311","8.139","0.003","13.44","0.004","13.65","0.005","102.732","0.005","104.959","0.005","107.249","0.005","1304.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H28 Cl3 N3 O6 S2 -","- C23.5 H28 Cl3 N3 O6 S2 -","- C47 H56 Cl6 N6 O12 S4 -","2","1","","Liu, Guotao; Chen, Weijie; Xu, Zhiqiang; Ye, Fengying; Pan, Yingle; Chen, Xiaoqiang; Liu, Sheng Hua; Zeng, Lintao; Yin, Jun","Regulating glutathione-responsiveness of naphthalimide-based fluorescent probes by an oxidation strategy.","Organic & biomolecular chemistry","2018","16","30","5517","5523","10.1039/c8ob01258j","","","0.71073","MoKα","","0.0873","0.0695","","","0.1896","0.2048","","","","","","1.057","","","","has coordinates,has disorder","230804","2020-10-21","18:00:00",""
"7156312","9.0264","0.0016","9.0426","0.0016","17.336","0.003","76.843","0.003","80.437","0.003","65.448","0.003","1249.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cl2 N3 O5 S2 -","- C23 H27 Cl2 N3 O5 S2 -","- C46 H54 Cl4 N6 O10 S4 -","2","1","","Liu, Guotao; Chen, Weijie; Xu, Zhiqiang; Ye, Fengying; Pan, Yingle; Chen, Xiaoqiang; Liu, Sheng Hua; Zeng, Lintao; Yin, Jun","Regulating glutathione-responsiveness of naphthalimide-based fluorescent probes by an oxidation strategy.","Organic & biomolecular chemistry","2018","16","30","5517","5523","10.1039/c8ob01258j","","","0.71073","MoKα","","0.0939","0.0762","","","0.2196","0.2441","","","","","","1.069","","","","has coordinates","230804","2020-10-21","18:00:00",""
"7156313","11.6879","0.0008","18.2014","0.0011","8.4879","0.0004","90","","102.767","0.005","90","","1761.04","0.18","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C72 H100 N4 O12 S4 -","4","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.0643","0.0432","","","0.1065","0.1221","","","","","","1.037","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156314","8.2097","0.0006","11.3718","0.001","11.432","0.0009","63.44","0.008","84.691","0.006","84.975","0.007","949.27","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C36 H50 N2 O8 S2 -","2","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.0915","0.0524","","","0.0917","0.1075","","","","","","0.952","","","","has coordinates,has disorder","230808","2020-10-21","18:00:00",""
"7156315","10.8106","0.001","5.454","0.0005","11.7245","0.001","90","","104.012","0.005","90","","670.72","0.11","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C26 H30 N2 O8 S2 -","2","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","1.54178","CuKα","","0.0693","0.0544","","","0.1414","0.155","","","","","","1.1","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156316","17.4085","0.001","6.2355","0.0003","17.4828","0.0011","90","","99.565","0.006","90","","1871.39","0.19","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.0669","0.0462","","","0.1089","0.1228","","","","","","1.023","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156317","9.1241","0.0002","13.2825","0.0002","25.2487","0.0005","90","","94.118","0.001","90","","3052.01","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C120 H168 N8 O24 S8 -","8","2","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","1.54178","CuKα","","0.041","0.0344","","","0.0863","0.091","","","","","","1.059","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156318","27.193","0.003","8.6013","0.0007","16.525","0.0017","90","","101.302","0.011","90","","3790.2","0.7","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C160 H184 N8 O24 S8 -","8","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.1006","0.0554","","","0.1352","0.1687","","","","","","1.048","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156319","15.92","0.0013","5.8083","0.0004","20.4496","0.0014","90","","100.147","0.007","90","","1861.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-tetrafluoro-4-[4-[(4-methoxyphenyl)ethynyl]phenylethynyl]anisole","","- C24 H14 F4 O2 -","- C24 H14 F4 O2 -","- C96 H56 F16 O8 -","4","1","","Yamada, Shigeyuki; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Ichikawa, Takahiro; Konno, Tsutomu","Thermoresponsive luminescence properties of polyfluorinated bistolane-type light-emitting liquid crystals.","Organic & biomolecular chemistry","2018","16","31","5609","5617","10.1039/c8ob01497c","","","0.71073","MoKα","","0.0666","0.0578","","","0.1468","0.1519","","","","","","1.101","","","","has coordinates","230812","2020-10-21","18:00:00",""
"7156320","11.4515","0.0006","4.9051","0.0003","39.555","0.002","90","","90","","90","","2221.8","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3,4,5,6-Pentafluoro-4-[4-[(4-hexyloxyphenyl)ethynyl]phenylethynyl]benzene","","- C28 H21 F5 O -","- C28 H21 F5 O -","- C112 H84 F20 O4 -","4","1","","Yamada, Shigeyuki; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Ichikawa, Takahiro; Konno, Tsutomu","Thermoresponsive luminescence properties of polyfluorinated bistolane-type light-emitting liquid crystals.","Organic & biomolecular chemistry","2018","16","31","5609","5617","10.1039/c8ob01497c","","","0.71073","MoKα","","0.0456","0.0404","","","0.0876","0.0908","","","","","","1.048","","","","has coordinates","230812","2020-10-21","18:00:00",""
"7156321","23.851","0.001","7.4217","0.0004","7.8859","0.0004","90","","90","","90","","1395.92","0.12","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","1,3-diphenylimidazo[1,5-a]pyridine","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","0.5","","Hu, Zhiyuan; Hou, Jiao; Liu, Jie; Yu, Wenquan; Chang, Junbiao","Synthesis of imidazo[1,5-a]pyridines via I<sub>2</sub>-mediated sp<sup>3</sup> C-H amination.","Organic & biomolecular chemistry","2018","16","31","5653","5660","10.1039/c8ob01501e","","x-ray","1.54184","CuKα","","0.0334","0.0316","","","0.0834","0.0864","","","","","","1.057","","","","has coordinates","230809","2020-10-21","18:00:00",""
"7156322","7.4307","0.0005","10.8091","0.0007","14.322","0.0008","88.506","0.005","89.846","0.005","83.022","0.005","1141.42","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O7 -","- C26 H18 N2 O7 -","- C52 H36 N4 O14 -","2","1","","Wang, Zhi-Peng; He, Yun; Shao, Pan-Lin","Transition-metal-free synthesis of polysubstituted pyrrole derivatives via cyclization of methyl isocyanoacetate with aurone analogues.","Organic & biomolecular chemistry","2018","16","30","5422","5426","10.1039/c8ob01558a","","","0.71073","MoKα","","0.0776","0.0525","","","0.1201","0.1387","","","","","","1.047","","","","has coordinates","230805","2020-10-21","18:00:00",""
"7156323","15.8276","0.0007","16.5142","0.0007","15.0083","0.0008","90","","114.514","0.006","90","","3569.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C180 H168 N12 -","6","1.5","","Huang, Li; Cao, Ying-Juan; Sun, Xiang-Ying; Liu, Bin; Shen, Jiang-Shan","Diverse applications of TMB-based sensing probes.","Organic & biomolecular chemistry","2018","16","31","5667","5676","10.1039/c8ob01364k","","","0.71073","MoKα","","0.1224","0.0566","","","0.118","0.1503","","","","","","0.942","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7156324","9.812","0.002","15.26","0.003","18.464","0.004","108.25","0.03","98.59","0.03","92.69","0.03","2583.2","1.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O2 -","- C17 H11 N O2 -","- C136 H88 N8 O16 -","8","4","","Zhang, Wei; Yang, Chen; Pan, Yu-Liang; Li, Xin; Cheng, Jin-Pei","Synthesis of 3-cyanomethylated coumarins by a visible-light-mediated direct cyanomethylation of aryl alkynoates.","Organic & biomolecular chemistry","2018","16","32","5788","5792","10.1039/c8ob01513a","","","0.71073","MoKα","","0.1223","0.0634","","","0.1133","0.138","","","","","","0.998","","","","has coordinates","230630","2020-10-21","18:00:00",""
"7156325","10.067","0.002","9.1332","0.0018","15.755","0.003","90","","103.76","0.03","90","","1407","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Br N O2 -","- C17 H10 Br N O2 -","- C68 H40 Br4 N4 O8 -","4","1","","Zhang, Wei; Yang, Chen; Pan, Yu-Liang; Li, Xin; Cheng, Jin-Pei","Synthesis of 3-cyanomethylated coumarins by a visible-light-mediated direct cyanomethylation of aryl alkynoates.","Organic & biomolecular chemistry","2018","16","32","5788","5792","10.1039/c8ob01513a","","","0.71073","MoKα","","0.0687","0.0398","","","0.0749","0.0824","","","","","","0.998","","","","has coordinates","230630","2020-10-21","18:00:00",""
"7156326","8.7914","0.001","16.8836","0.0019","17.728","0.002","90","","90","","90","","2631.4","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N3 O4 S2 -","- C24 H24 Br N3 O4 S2 -","- C96 H96 Br4 N12 O16 S8 -","4","1","","Xu, Han; Kang, Tian-Chen; Sha, Feng; Wu, Xin-Yan","Enantioselective Mannich reaction between rhodanines and isatin-derived ketimines to construct vicinal tetrasubstituted stereocenters.","Organic & biomolecular chemistry","2018","16","32","5780","5787","10.1039/c8ob01524d","","","0.71073","MoKα","","0.0453","0.0322","","","0.0687","0.0737","","","","","","1.015","","","","has coordinates","230631","2020-10-21","18:00:00",""
"7156327","27.1192","0.0008","27.1192","0.0008","6.0742","0.0002","90","","90","","90","","4467.3","0.2","100","2","100","2","","","","","","","","4","P 42","P 4c","77","","","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C168 H256 N16 O48 -","8","2","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","0.71073","MoKα","","0.0649","0.0442","","","0.0809","0.0889","","","","","","1.024","","","","has coordinates","230637","2020-10-21","18:00:00",""
"7156328","7.1313","0.0016","8.764","0.002","17.546","0.004","90","","91.71","0.005","90","","1096.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N3 O5 -","- C26 H25 N3 O5 -","- C52 H50 N6 O10 -","2","1","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","1.54178","CuKα","","0.0517","0.0517","","","0.1368","0.1368","","","","","","1.027","","","","has coordinates","230637","2020-10-21","18:00:00",""
"7156329","8.5893","0.0015","11.638","0.002","22.452","0.004","90","","90","","90","","2244.4","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O7 -","- C21 H30 N2 O7 -","- C84 H120 N8 O28 -","4","1","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","1.54178","CuKα","","0.0349","0.0341","","","0.0892","0.0899","","","","","","1.059","","","","has coordinates","230637","2020-10-21","18:00:00",""
"7156330","9.0593","0.0002","12.1761","0.0002","12.5506","0.0002","74.493","0.001","89.579","0.001","84.484","0.001","1327.6","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H44 Cl12 O12 -","- C50 H44 Cl12 O12 -","- C50 H44 Cl12 O12 -","1","0.5","","Wang, Denan; Ivanov, Maxim V.; Mirzaei, Saber; Lindeman, Sergey V.; Rathore, Rajendra","An electron-transfer induced conformational transformation: from non-cofacial ""sofa"" to cofacial ""boat"" in cyclotetraveratrylene (CTTV) and formation of charge transfer complexes.","Organic & biomolecular chemistry","2018","16","31","5712","5717","10.1039/c8ob01118d","","","1.54178","CuKα","","0.0252","0.0245","","","0.0633","0.0637","","","","","","1.069","","","","has coordinates","230810","2020-10-21","18:00:00",""
"7156331","10.0667","0.0004","16.1954","0.0007","19.0021","0.0008","111.109","0.004","94.141","0.004","100.255","0.004","2812.4","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C49.55 H48.64 Cl11.68 N2 O10 -","- C49.548 H48.644 Cl11.678 N2 O10 -","- C99.096 H97.288 Cl23.356 N4 O20 -","2","1","","Wang, Denan; Ivanov, Maxim V.; Mirzaei, Saber; Lindeman, Sergey V.; Rathore, Rajendra","An electron-transfer induced conformational transformation: from non-cofacial ""sofa"" to cofacial ""boat"" in cyclotetraveratrylene (CTTV) and formation of charge transfer complexes.","Organic & biomolecular chemistry","2018","16","31","5712","5717","10.1039/c8ob01118d","","x-ray","1.54184","CuKα","","0.0995","0.0664","","","0.184","0.2048","","","","","","0.955","","","","has coordinates,has disorder","230810","2020-10-21","18:00:00",""
"7156332","9.1731","0.0009","12.2931","0.0011","12.4614","0.0012","64.335","0.002","84.712","0.003","79.181","0.003","1244","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Cl2 N3 O2 -","- C28 H23 Cl2 N3 O2 -","- C56 H46 Cl4 N6 O4 -","2","1","","Liao, Huiwu; Peng, Xiangjun; Hu, Dan; Xu, Xianyun; Huang, Panpan; Liu, Qian; Liu, Liangxian","CoCl<sub>2</sub>-promoted TEMPO oxidative homocoupling of indoles: access to tryptanthrin derivatives.","Organic & biomolecular chemistry","2018","16","31","5699","5706","10.1039/c8ob01216d","","","0.71073","MoKα","","0.1478","0.0889","","","0.2313","0.2641","","","","","","1.042","","","","has coordinates","230813","2020-10-21","18:00:00",""
"7156333","10.7906","0.0006","10.2626","0.0005","17.5715","0.0009","90","","102.945","0.003","90","","1896.41","0.17","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 O3 -","- C23 H17 N3 O3 -","- C92 H68 N12 O12 -","4","1","","Liao, Huiwu; Peng, Xiangjun; Hu, Dan; Xu, Xianyun; Huang, Panpan; Liu, Qian; Liu, Liangxian","CoCl<sub>2</sub>-promoted TEMPO oxidative homocoupling of indoles: access to tryptanthrin derivatives.","Organic & biomolecular chemistry","2018","16","31","5699","5706","10.1039/c8ob01216d","","","0.71073","MoKα","","0.0617","0.0419","","","0.1064","0.1165","","","","","","1.065","","","","has coordinates","230813","2020-10-21","18:00:00",""
"7156334","12.899","0.002","7.78","0.002","13.924","0.001","90","","94.602","0.009","90","","1392.8","0.4","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-hydroxy-3-(2?-chlorobenzoyl)-5-nitro-1H-indole","","","- C15 H9 Cl N2 O4 -","- C15 H9 Cl N2 O4 -","- C60 H36 Cl4 N8 O16 -","4","1","","Ieronimo, Gabriella; Palmisano, Giovanni; Maspero, Angelo; Marzorati, Alessandro; Scapinello, Luca; Masciocchi, Norberto; Cravotto, Giancarlo; Barge, Alessandro; Simonetti, Marco; Ameta, Keshav Lalit; Nicholas, Kenneth M.; Penoni, Andrea","A novel synthesis of N-hydroxy-3-aroylindoles and 3-aroylindoles.","Organic & biomolecular chemistry","2018","16","38","6853","6859","10.1039/c8ob01471j","","","0.71073","MoKα","","0.054","0.0376","","","0.0863","0.0951","","","","","","1.008","","","","has coordinates","230872","2020-10-21","18:00:00",""
"7156335","19.409","0.011","22.804","0.014","7.899","0.005","90","","90","","90","","3496","4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C144 H168 N8 O32 S8 -","8","2","","Devi, Runjun; Das, Jonali; Sarma, Bipul; Das, Sajal Kumar","Phenolate-induced intramolecular ring-opening cyclization of N-tosylaziridines: access to functionalized benzoxacycles.","Organic & biomolecular chemistry","2018","16","32","5846","5858","10.1039/c8ob01143e","","","0.71073","MoKα","","0.2092","0.0691","","","0.1368","0.1922","","","","","","0.935","","","","has coordinates","230633","2020-10-21","18:00:00",""
"7156336","9.114","0.004","8.76","0.003","11.937","0.005","90","","98.233","0.006","90","","943.2","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl N2 O3 -","- C20 H21 Cl N2 O3 -","- C40 H42 Cl2 N4 O6 -","2","1","","Xu, Gang; Tong, Chaodi; Cui, Sunliang; Dai, Liyan","A silver catalyzed domino reaction of N-cyanamide alkenes and 1,3-dicarbonyls for the synthesis of quinazolinones.","Organic & biomolecular chemistry","2018","16","32","5899","5906","10.1039/c8ob01252k","","","0.71073","MoKα","","0.0793","0.0503","","","0.1011","0.1109","","","","","","1.035","","","","has coordinates","230634","2020-10-21","18:00:00",""
"7156337","10.5691","0.0018","12.489","0.002","13.082","0.002","113.373","0.005","95.324","0.005","113.736","0.005","1384","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Br N3 O3 -","- C30 H30 Br N3 O3 -","- C60 H60 Br2 N6 O6 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.1185","0.0577","","","0.1171","0.1391","","","","","","1.041","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156338","6.8547","0.0015","15.209","0.003","23.124","0.005","90","","98.52","","90","","2384.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 O4 -","- C25 H22 Br N3 O4 -","- C100 H88 Br4 N12 O16 -","4","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.2521","0.0833","","","0.1701","0.2262","","","","","","0.916","","","","has coordinates,has disorder","230636","2020-10-21","18:00:00",""
"7156339","5.3424","0.0018","19.837","0.006","19.534","0.006","90","","103.226","0.01","90","","2015.2","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Br N O2 -","- C25 H16 Br N O2 -","- C100 H64 Br4 N4 O8 -","4","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.2514","0.0778","","","0.1415","0.1961","","","","","","1.008","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156340","9.2635","0.0005","11.3364","0.0006","11.3467","0.0006","86.529","0.002","72.466","0.002","78.713","0.002","1114.23","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br Cl N2 O2 -","- C24 H20 Br Cl N2 O2 -","- C48 H40 Br2 Cl2 N4 O4 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.0865","0.043","","","0.0873","0.1","","","","","","1.02","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156341","10.1744","0.0008","12.6935","0.0011","13.136","0.0012","113.581","0.003","93.921","0.003","112.484","0.002","1386.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl N3 O4 -","- C30 H30 Cl N3 O4 -","- C60 H60 Cl2 N6 O8 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.106","0.0568","","","0.1206","0.1386","","","","","","1.021","","","","has coordinates,has disorder","230636","2020-10-21","18:00:00",""
"7156342","6.8119","0.0012","15.187","0.003","22.922","0.004","90","","98.315","0.005","90","","2346.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br2 N2 O2 -","- C25 H22 Br2 N2 O2 -","- C100 H88 Br8 N8 O8 -","4","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.1449","0.0613","","","0.1198","0.1467","","","","","","1.004","","","","has coordinates,has disorder","230636","2020-10-21","18:00:00",""
"7156343","9.0719","0.0004","11.2308","0.0004","11.5065","0.0004","80.422","0.001","76.363","0.001","70.848","0.001","1071.15","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Br N3 O4 -","- C24 H20 Br N3 O4 -","- C48 H40 Br2 N6 O8 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.0406","0.0255","","","0.0612","0.0633","","","","","","1.065","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156344","9.933","0.0007","12.4636","0.0012","23.3748","0.0016","93.564","0.003","97.108","0.002","113.474","0.002","2614.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Cl N3 O3 -","- C29 H28 Cl N3 O3 -","- C116 H112 Cl4 N12 O12 -","4","2","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.1733","0.0678","","","0.1084","0.1338","","","","","","1.008","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156345","6.44998","0.0001","20.5679","0.0003","23.9334","0.0004","90","","94.4481","0.0015","90","","3165.5","0.09","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F N O4 -","- C17 H20 F N O4 -","- C136 H160 F8 N8 O32 -","8","2","","Griggs, Samuel D.; Thompson, Nathan; Tape, Daniel T.; Fabre, Marie; Clarke, Paul A.","Synthesis of highly substituted 2-spiropiperidines.","Organic & biomolecular chemistry","2018","16","36","6663","6674","10.1039/c8ob01272e","","x-ray","1.54184","CuKα","","0.0457","0.0362","","","0.0855","0.0912","","","","","","1.033","","","","has coordinates","230838","2020-10-21","18:00:00",""
"7156346","8.6049","0.0017","11.226","0.002","12.391","0.003","113.15","0.03","98.39","0.03","96.47","0.03","1069.6","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 I N2 O S -","- C24 H19 I N2 O S -","- C48 H38 I2 N4 O2 S2 -","2","1","","Wu, Jing; Kong, Yuanfang; Liu, Lingyan; Chang, Weixing; Li, Jing","Metal-free multicomponent cascade reactions of homopropargylic amines and acyl chlorides as well as potassium thiocyanate and diiodine: an access to thiazine imides.","Organic & biomolecular chemistry","2018","16","33","5955","5959","10.1039/c8ob01557k","","","0.71073","MoKα","","0.0419","0.0372","","","0.1023","0.1051","","","","","","1.056","","","","has coordinates","230649","2020-10-21","18:00:00",""
"7156347","10.8798","0.0001","18.4104","0.0001","14.5081","0.0001","90","","90","","90","","2905.99","0.04","150","","150","","","","","","","","from U of Wollongong","4","P c c n","-P 2ab 2ac","56","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C152 H112 N16 O24 -","8","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","","1.54184","CuKα","","0.0316","0.03","","0.0746","0.0734","0.0746","","","","","","1.0045","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156348","23.5193","0.0013","11.6263","0.0007","9.3856","0.0005","90","","90.966","0.005","90","","2566.1","0.3","150","","150","","","","","","","","from U of Wollongong","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N3 O4 S -","- C31 H25 N3 O4 S -","- C124 H100 N12 O16 S4 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.117","0.0706","","0.1532","0.1319","0.1532","","","","","","1.0135","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156349","23.9584","0.0007","9.6484","0.0003","16.009","0.0006","90","","90.165","0.003","90","","3700.6","0.2","150","","150","","","","","","","","from U of Wollongong","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 N2 O6 -","- C23 H18 N2 O6 -","- C184 H144 N16 O48 -","8","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","","0.71073","MoKα","","0.0474","0.0443","","0.1093","0.1074","0.1093","","","","","","1.0328","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156350","10.5565","0.0002","14.9406","0.0002","25.9563","0.0004","90","","90","","90","","4093.84","0.11","150","","150.01","0.1","","","","","","","from U of Wollongong","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H35.85 Cl4.15 N4 O8 -","- C42 H35.85 Cl4.15 N4 O8 -","- C168 H143.4 Cl16.6 N16 O32 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.0769","0.0684","","0.1506","0.1456","0.1506","","","","","","0.9821","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156351","8.6464","0.00007","11.41283","0.00008","17.69376","0.00013","90","","90","","90","","1746.02","0.02","150","","150","","","","","","","","from U of Wollongong","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.0306","0.0302","","0.0812","0.0807","0.0812","","","","","","1.0034","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156352","9.4743","0.0005","10.9625","0.0005","15.3255","0.0007","69.302","0.001","81.446","0.002","65.245","0.002","1352.17","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tsavoenones A","","","- C28 H28 O12 -","- C28 H28 O12 -","- C56 H56 O24 -","2","1","","Duong, Thuc-Huy; Beniddir, Mehdi A.; Genta-Jouve, Grégory; Aree, Thammarat; Chollet-Krugler, Marylène; Boustie, Joël; Ferron, Solenn; Sauvager, Aurélie; Nguyen, Huu-Hung; Nguyen, Kim-Phi-Phung; Chavasiri, Warinthorn; Le Pogam, Pierre","Tsavoenones A-C: unprecedented polyketides with a 1,7-dioxadispiro[4.0.4.4]tetradecane core from the lichen Parmotrema tsavoense.","Organic & biomolecular chemistry","2018","16","32","5913","5919","10.1039/c8ob01280f","","","0.71073","MoKα","","0.1032","0.0555","","","0.1394","0.1642","","","","","","1.039","","","","has coordinates","230635","2020-10-21","18:00:00",""
"7156353","7.6583","0.0009","11.7333","0.0012","25.007","0.002","90","","95.687","0.011","90","","2236","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N4 O6 -","- C25 H22 N4 O6 -","- C100 H88 N16 O24 -","4","1","","Gao, Xing; Shan, Chunhui; Chen, Zhihao; Liu, Yan; Zhao, Xia; Zhang, Ao; Yu, Peng; Galons, Hervé; Lan, Yu; Lu, Kui","One-pot synthesis of β-lactams by the Ugi and Michael addition cascade reaction.","Organic & biomolecular chemistry","2018","16","33","6096","6105","10.1039/c8ob01176a","","x-ray","0.71073","MoKα","","0.0671","0.0527","","","0.1199","0.1239","","","","","","1.031","","","","has coordinates","230656","2020-10-21","18:00:00",""
"7156354","11.1611","0.0007","18.4375","0.0011","23.2735","0.0012","90","","90","","90","","4789.3","0.5","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H58 N2 O9 S -","- C55 H58 N2 O9 S -","- C220 H232 N8 O36 S4 -","4","1","","Łęczycka-Wilk, Katarzyna; Ulatowski, Filip; Cmoch, Piotr; Jarosz, Sławomir","""Choose-a-size"" control in the synthesis of sucrose based urea and thiourea macrocycles.","Organic & biomolecular chemistry","2018","16","33","6063","6069","10.1039/c8ob01340c","","","0.71073","MoKα","","0.1075","0.0635","","","0.1471","0.1795","","","","","","0.911","","","","has coordinates","230651","2020-10-21","18:00:00",""
"7156355","11.2505","0.0007","11.5713","0.001","13.0127","0.0009","86.119","0.006","84.314","0.006","65.589","0.007","1534.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 O6 -","- C34 H33 N3 O6 -","- C68 H66 N6 O12 -","2","1","","Guo, Jiaomei; Zhao, Yang; Fang, Dongmei; Wang, Qilin; Bu, Zhanwei","Diastereoselective construction of pyrrolo[2,1-a]isoquinoline-based bispirooxindoles through a three-component [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2018","16","33","6025","6034","10.1039/c8ob01493k","","x-ray","0.71073","MoKα","","0.1021","0.0551","","","0.119","0.1458","","","","","","1.023","","","","has coordinates","230653","2020-10-21","18:00:00",""
"7156356","9.1202","0.001","8.3186","0.001","33.169","0.007","90","","90","","90","","2516.4","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H6 F7 N2 -","- C11 H6 F7 N2 -","- C88 H48 F56 N16 -","8","1","","Wang, Hui; Tu, Yuan-Hong; Liu, De-Yong; Hu, Xiang-Guo","Cu-Catalyzed/mediated synthesis of N-fluoroalkylanilines from arylboronic acids: fluorine effect on the reactivity of fluoroalkylamines.","Organic & biomolecular chemistry","2018","16","36","6634","6637","10.1039/c8ob01581c","","","0.71073","MoKα","","0.1468","0.1311","","","0.3738","0.4","","","","","","1.523","","","","has coordinates","230840","2020-10-21","18:00:00",""
"7156357","4.3659","0.0006","22.675","0.003","8.74","0.0012","90","","92.88","0.014","90","","864.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F2 N2 -","- C9 H8 F2 N2 -","- C36 H32 F8 N8 -","4","1","","Wang, Hui; Tu, Yuan-Hong; Liu, De-Yong; Hu, Xiang-Guo","Cu-Catalyzed/mediated synthesis of N-fluoroalkylanilines from arylboronic acids: fluorine effect on the reactivity of fluoroalkylamines.","Organic & biomolecular chemistry","2018","16","36","6634","6637","10.1039/c8ob01581c","","","0.71073","MoKα","","0.0852","0.0759","","","0.1972","0.212","","","","","","0.975","","","","has coordinates","230840","2020-10-21","18:00:00",""
"7156358","8.9053","0.0002","29.8896","0.0007","10.0393","0.0002","90","","113.921","0.001","90","","2442.69","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N3 O4 -","- C26 H29 N3 O4 -","- C104 H116 N12 O16 -","4","2","","Cai, Yue; Gu, Qing; You, Shu-Li","Chemoselective N-H functionalization of indole derivatives via the Reissert-type reaction catalyzed by a chiral phosphoric acid.","Organic & biomolecular chemistry","2018","16","33","6146","6154","10.1039/c8ob01863d","","","1.54178","CuKα","","0.0865","0.0698","","","0.1763","0.1981","","","","","","1.026","","","","has coordinates","230654","2020-10-21","18:00:00",""
"7156359","9.1068","0.0005","13.5461","0.0009","26.1677","0.0013","90","","90","","90","","3228.1","0.3","293","2","293.15","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H14 O2 -","- C23 H14 O2 -","- C184 H112 O16 -","8","1","","Addepalli, Yesu; Yu, Zhimei; Ji, Jie; Zou, Cheng; Wang, Zhen; He, Yun","Tandem Diels-Alder/oxidation-aromatization reactions involving 2-styrylchromones and arynes.","Organic & biomolecular chemistry","2018","16","33","6077","6085","10.1039/c8ob01199k","","x-ray","0.71073","MoKα","","0.0861","0.054","","","0.1203","0.1393","","","","","","1.024","","","","has coordinates","230657","2020-10-21","18:00:00",""
"7156360","10.1392","0.0004","10.1392","0.0004","28.1205","0.0016","90","","90","","90","","2890.9","0.2","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C128 H112 Cl8 N8 O16 -","8","2","","Shao, Ling-Yan; Xu, Zhi; Wang, Cun-Ying; Fu, Xiao-Pan; Chen, Miao-Miao; Liu, Hong-Wei; Ji, Ya-Fei","Palladium-catalyzed direct mono-aroylation of O-arylmethyl and aryl-substituted acetoxime ethers.","Organic & biomolecular chemistry","2018","16","34","6284","6294","10.1039/c8ob01400k","","","1.54178","CuKα","","0.0531","0.039","","","0.0943","0.101","","","","","","1.021","","","","has coordinates","230861","2020-10-21","18:00:00",""
"7156361","8.863","0.0006","6.941","0.0004","14.038","0.001","90","","104.114","0.007","90","","837.52","0.1","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C42 H34 N6 O2 -","2","1","","Shinde, Vikki N.; Dhiman, Shiv; Krishnan, Rangan; Kumar, Dalip; Kumar, Anil","Synthesis of imidazopyridine-fused indoles via one-pot sequential Knoevenagel condensation and cross dehydrogenative coupling.","Organic & biomolecular chemistry","2018","16","33","6123","6132","10.1039/c8ob01449c","","x-ray","0.71073","MoKα","","0.0346","0.0311","","","0.0821","0.0838","","","","","","1.067","","","","has coordinates","230658","2020-10-21","18:00:00",""
"7156362","9.4056","0.0012","7.0317","0.0008","28.179","0.003","90","","94.395","0.01","90","","1858.2","0.4","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C96 H76 N12 O12 -","4","1","","Shinde, Vikki N.; Dhiman, Shiv; Krishnan, Rangan; Kumar, Dalip; Kumar, Anil","Synthesis of imidazopyridine-fused indoles via one-pot sequential Knoevenagel condensation and cross dehydrogenative coupling.","Organic & biomolecular chemistry","2018","16","33","6123","6132","10.1039/c8ob01449c","","x-ray","0.71073","MoKα","","0.0407","0.0324","","","0.0821","0.0862","","","","","","1.039","","","","has coordinates","230658","2020-10-21","18:00:00",""
"7156363","9.2351","0.00017","14.6347","0.0003","25.4336","0.0005","90","","96.9605","0.0007","90","","3412.09","0.12","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N O6 -","- C18 H19 N O6 -","- C144 H152 N8 O48 -","8","1","","Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio","2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.","Organic & biomolecular chemistry","2018","16","33","5965","5968","10.1039/c8ob01774c","","","1.54187","CuKα","","0.0375","0.0364","","","0.0934","0.0943","","","","","","1.07","","","","has coordinates","230650","2020-10-21","18:00:00",""
"7156364","5.15537","0.00009","43.3613","0.0008","8.36326","0.00015","90","","111.741","0.0007","90","","1736.56","0.05","188","2","188","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Br O6 -","- C17 H19 Br O6 -","- C68 H76 Br4 O24 -","4","1","","Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio","2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.","Organic & biomolecular chemistry","2018","16","33","5965","5968","10.1039/c8ob01774c","","","1.54187","CuKα","","0.0369","0.035","","","0.0856","0.0868","","","","","","1.082","","","","has coordinates","230650","2020-10-21","18:00:00",""
"7156365","9.59148","0.00017","8.88839","0.00016","20.6593","0.0004","90","","95.3754","0.0007","90","","1753.52","0.06","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O6 -","- C18 H19 N O6 -","- C72 H76 N4 O24 -","4","1","","Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio","2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.","Organic & biomolecular chemistry","2018","16","33","5965","5968","10.1039/c8ob01774c","","","1.54187","CuKα","","0.036","0.035","","","0.094","0.0948","","","","","","1.059","","","","has coordinates","230650","2020-10-21","18:00:00",""
"7156366","13.6734","0.00019","10.41568","0.00013","27.6271","0.0004","90","","103.065","0.0014","90","","3832.73","0.09","100.01","0.13","100.01","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H43 N3 O8 -","- C44 H43 N3 O8 -","- C176 H172 N12 O32 -","4","2","","Knudsen, Ida M. B.; Hedberg, Christinne; Ladefoged, Lucy Kate; Ide, Daisuke; Brinkø, Anne; Eikeland, Espen Z.; Kato, Atsushi; Jensen, Henrik H.","Divergent synthesis of new α-glucosidase inhibitors obtained through a vinyl Grignard-mediated carbocyclisation.","Organic & biomolecular chemistry","2018","16","34","6250","6261","10.1039/c8ob01433g","","x-ray","0.71073","MoKα","","0.0479","0.0381","","","0.0832","0.0889","","","","","","1.06","","","","has coordinates","230862","2020-10-21","18:00:00",""
"7156367","8.1375","0.0004","8.1375","0.0004","22.67","0.0015","90","","90","","90","","1501.18","0.14","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C17 H10 Cl F2 N O2 -","- C17 H10 Cl F2 N O2 -","- C68 H40 Cl4 F8 N4 O8 -","4","1","","Sun, Zhou; Xiang, Kuirong; Tao, Hua; Guo, Liqun; Li, Ying","Synthesis of 2-substituted 3-chlorobenzofurans via TMSCl-mediated nucleophilic annulation of isatin-derived propargylic alcohols.","Organic & biomolecular chemistry","2018","16","33","6133","6139","10.1039/c8ob01731j","","","1.54184","CuKα","","0.0403","0.0368","","","0.0941","0.0986","","","","","","1.05","","","","has coordinates","230655","2020-10-21","18:00:00",""
"7156368","9.6135","0.0005","10.5171","0.0005","12.3679","0.0005","72.018","0.003","70.4","0.004","89.928","0.004","1113.15","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O -","- C30 H22 N2 O -","- C60 H44 N4 O2 -","2","1","","Yang, Kai; Bao, Xiaoze; Yao, Ye; Qu, Jingping; Wang, Baomin","Iodine-mediated cross-dehydrogenative coupling of pyrazolones and alkenes.","Organic & biomolecular chemistry","2018","16","34","6275","6283","10.1039/c8ob01645c","","","0.71073","MoKα","","0.087","0.0499","","","0.1218","0.1518","","","","","","1.049","","","","has coordinates","230864","2020-10-21","18:00:00",""
"7156369","8.6452","0.0005","11.1356","0.0005","15.0205","0.0006","108.623","0.004","91.819","0.004","111.122","0.004","1260.49","0.12","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H31 N3 O4 -","- C30 H31 N3 O4 -","- C60 H62 N6 O8 -","2","1","","Murphy, Rhys B.; Pham, Duc-Truc; White, Jonathan M.; Lincoln, Stephen F.; Johnston, Martin R.","Molecular tweezers with a rotationally restricted linker and freely rotating porphyrin moieties.","Organic & biomolecular chemistry","2018","16","34","6206","6223","10.1039/c8ob00944a","","","1.5418","CuKα","","0.0472","0.0407","","","0.1054","0.1108","","","","","","1.064","","","","has coordinates","230865","2020-10-21","18:00:00",""
"7156370","10.5365","0.0013","10.715","0.0009","11.866","0.002","64.644","0.013","70.132","0.014","77.884","0.009","1135.3","0.3","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O4.06 -","- C28 H28 N2 O4.0647 -","- C56 H56 N4 O8.1294 -","2","1","","Murphy, Rhys B.; Pham, Duc-Truc; White, Jonathan M.; Lincoln, Stephen F.; Johnston, Martin R.","Molecular tweezers with a rotationally restricted linker and freely rotating porphyrin moieties.","Organic & biomolecular chemistry","2018","16","34","6206","6223","10.1039/c8ob00944a","","","0.7107","MoKα","","0.0581","0.0486","","","0.1311","0.1401","","","","","","1.065","","","","has coordinates,has disorder","230865","2020-10-21","18:00:00",""
"7156371","6.9737","0.0003","23.8115","0.0009","11.0278","0.0005","90","","98.529","0.004","90","","1810.96","0.13","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","PYD-138","","- C18 H21 B Br N O4 -","- C18 H21 B Br N O4 -","- C72 H84 B4 Br4 N4 O16 -","4","1","","Pang, Yadong; Kojima, Ryoto; Ito, Hajime","Copper(i)-catalysed stereoselective debromoborylation of aliphatic 1,1-dibromo-1-alkenes with bis(pinacolato)diboron.","Organic & biomolecular chemistry","2018","16","34","6187","6190","10.1039/c8ob01778f","","x-ray","0.71073","MoKα","","0.0441","0.0303","","","0.062","0.0655","","","","","","1.019","","","","has coordinates","230859","2020-10-21","18:00:00",""
"7156372","10.811","0.0004","11.3987","0.0003","11.7982","0.0004","90","","104.616","0.004","90","","1406.86","0.08","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(R)-6, 6?-HMSIOL","","","- C29 H42 O3 -","- C29 H42 O3 -","- C58 H84 O6 -","2","1","","Shan, Huanyu; Pan, Rihuang; Lin, Xufeng","Synthesis and application of a new chiral monodentate spiro phosphoramidite ligand based on hexamethyl-1,1'-spirobiindane backbone in asymmetric hydroamination/arylation of alkenes.","Organic & biomolecular chemistry","2018","16","34","6183","6186","10.1039/c8ob01785a","","","1.54184","CuKα","","0.0563","0.0466","","","0.124","0.1356","","","","","","1.029","","","","has coordinates","230860","2020-10-21","18:00:00",""
"7156373","7.2446","0.0003","10.9482","0.0005","21.3662","0.0009","90","","98.091","0.003","90","","1677.8","0.13","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 B Br O4 -","- C16 H20 B Br O4 -","- C64 H80 B4 Br4 O16 -","4","1","","Zi, You; Schömberg, Fritz; Seifert, Fabian; Görls, Helmar; Vilotijevic, Ivan","trans-Hydroboration vs. 1,2-reduction: divergent reactivity of ynones and ynoates in Lewis-base-catalyzed reactions with pinacolborane.","Organic & biomolecular chemistry","2018","16","34","6341","6349","10.1039/c8ob01343h","","","0.71073","MoKα","","0.055","0.0418","","","0.0887","0.0965","","","","","","1.091","","","","has coordinates","230858","2020-10-21","18:00:00",""
"7156374","14.1337","0.0016","10.2364","0.0011","8.868","0.0011","90","","97.306","0.002","90","","1272.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Li, Xiao-Fang; Shi, Lin-Feng; Zhang, Xing-Guo; Zhang, Xiao-Hong","Pd-Catalyzed C(sp<sup>2</sup>)-H aminocarbonylation using the Langlois reagent as a carbonyl source.","Organic & biomolecular chemistry","2018","16","35","6438","6442","10.1039/c8ob01421c","","","0.71073","MoKα","","0.0316","0.0306","","","0.0931","0.0939","","","","","","1.109","","","","has coordinates","230846","2020-10-21","18:00:00",""
"7156375","27.492","0.006","10.71","0.002","20.869","0.005","90","","131.125","0.006","90","","4628.6","1.8","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H28 Cl N3 O2 -","- C23 H28 Cl N3 O2 -","- C184 H224 Cl8 N24 O16 -","8","2","","Ren, Zhi-Lin; He, Ping; Lu, Wen-Ting; Sun, Mei; Ding, Ming-Wu","Synthesis of iminoisoindolinones via a cascade of the three-component Ugi reaction, palladium catalyzed isocyanide insertion, hydroxylation and an unexpected rearrangement reaction.","Organic & biomolecular chemistry","2018","16","34","6322","6331","10.1039/c8ob01728j","","","0.71073","MoKα","","0.0605","0.0445","","","0.115","0.1269","","","","","","0.979","","","","has coordinates","230863","2020-10-21","18:00:00",""
"7156376","7.5644","0.0002","19.5682","0.0006","9.8133","0.0003","90","","105.002","0.003","90","","1403.07","0.07","293","2","293","2","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C31 H26 N4 O6 S -","- C31 H26 N4 O6 S -","- C62 H52 N8 O12 S2 -","2","1","","Sharma, Vivek; Kaur, Anmolpreet; Sahoo, Subash Chandra; Chimni, Swapandeep Singh","Enantioselective 1,4-Michael addition reaction of pyrazolin-5-one derivatives with 2-enoylpyridines catalyzed by Cinchona derived squaramides.","Organic & biomolecular chemistry","2018","16","35","6470","6478","10.1039/c8ob01588k","","x-ray","0.71073","MoKα","","0.039","0.0331","","","0.0784","0.0819","","","","","","1.041","","","","has coordinates","230847","2020-10-21","18:00:00",""
"7156377","11.7078","0.0004","23.2759","0.0007","12.9884","0.0005","90","","90.62","0.003","90","","3539.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H76 Cl12 N10 -","- C66 H76 Cl12.002 N10 -","- C132 H152 Cl24.004 N20 -","2","0.5","","Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg","An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.","Organic & biomolecular chemistry","2018","16","35","6586","6599","10.1039/c8ob01705k","","","0.71073","MoKα","","0.0747","0.0489","","","0.1051","0.1178","","","","","","1.023","","","","has coordinates,has disorder","230842","2020-10-21","18:00:00",""
"7156378","24.8236","0.001","16.309","0.0006","10.9728","0.0004","90","","90","","90","","4442.3","0.3","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C49 H56 B Cl3 N6 -","- C49 H56 B Cl3 N6 -","- C196 H224 B4 Cl12 N24 -","4","0.5","","Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg","An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.","Organic & biomolecular chemistry","2018","16","35","6586","6599","10.1039/c8ob01705k","","","0.71073","MoKα","","0.0311","0.0293","","","0.0739","0.0754","","","","","","1.049","","","","has coordinates,has disorder","230842","2020-10-21","18:00:00",""
"7156379","6.0419","0.0005","16.2175","0.0013","31.008","0.002","90","","95.305","0.003","90","","3025.3","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H70 N12 O Zn -","- C60 H70 N12 O Zn -","- C120 H140 N24 O2 Zn2 -","2","0.5","","Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg","An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.","Organic & biomolecular chemistry","2018","16","35","6586","6599","10.1039/c8ob01705k","","","0.71073","MoKα","","0.0826","0.058","","","0.1364","0.1467","","","","","","1.021","","","","has coordinates","230842","2020-10-21","18:00:00",""
"7156380","7.53","0.003","5.649","0.002","23.594","0.009","90","","96.387","0.006","90","","997.4","0.7","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 F N O5 -","- C22 H24 F N O5 -","- C44 H48 F2 N2 O10 -","2","1","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","0.71073","MoKα","","0.0786","0.0768","","","0.2055","0.2068","","","","","","1.196","","","","has coordinates","230849","2020-10-21","18:00:00",""
"7156381","7.9683","0.0003","16.3532","0.0006","23.8547","0.0009","90","","90","","90","","3108.4","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C140 H160 N8 O24 -","- C140 H160 N8 O24 -","- C140 H160 N8 O24 -","1","0.25","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","1.54184","CuKα","","0.04","0.0385","","","0.0982","0.0992","","","","","","1.03","","","","has coordinates,has disorder","230849","2020-10-21","18:00:00",""
"7156382","6.6706","0.001","25.351","0.004","11.3316","0.0017","90","","89.9","","90","","1916.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Br2 N2 O10 -","- C40 H40 Br2 N2 O10 -","- C80 H80 Br4 N4 O20 -","2","1","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","0.71073","MoKα","","0.0668","0.0587","","","0.1627","0.1664","","","","","","1.036","","","","has coordinates","230849","2020-10-21","18:00:00",""
"7156383","9.5617","0.0018","9.7384","0.0018","10.228","0.002","75.27","0.017","68.659","0.018","61.422","0.019","775.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F2 N O2 -","- C19 H15 F2 N O2 -","- C38 H30 F4 N2 O4 -","2","1","","Mai, Wen-Peng; Wang, Fei; Zhang, Xiao-Feng; Wang, Shi-Min; Duan, Qun-Peng; Lu, Kui","Nickel-catalysed radical tandem cyclisation/arylation: practical synthesis of 4-benzyl-3,3-difluoro-γ-lactams.","Organic & biomolecular chemistry","2018","16","35","6491","6498","10.1039/c8ob01389f","","x-ray","1.54184","CuKα","","0.0719","0.0582","","","0.1635","0.1824","","","","","","1.093","","","","has coordinates","230843","2020-10-21","18:00:00",""
"7156384","14.3887","0.0013","9.1859","0.0008","24.515","0.002","90","","90","","90","","3240.2","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","1","","Zhang, Xiao-Yu; Yang, Song; Wei, Yin; Shi, Min","Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes.","Organic & biomolecular chemistry","2018","16","35","6399","6404","10.1039/c8ob01765d","","","0.71073","MoKα","","0.0553","0.0364","","","0.0903","0.1059","","","","","","1.044","","","","has coordinates","230848","2020-10-21","18:00:00",""
"7156385","9.4746","0.0004","9.4905","0.0004","9.7931","0.0004","78.081","0.001","70.166","0.001","77.527","0.001","800.24","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O -","- C21 H21 N O -","- C42 H42 N2 O2 -","2","1","","Zhang, Xiao-Yu; Yang, Song; Wei, Yin; Shi, Min","Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes.","Organic & biomolecular chemistry","2018","16","35","6399","6404","10.1039/c8ob01765d","","","0.71073","MoKα","","0.0535","0.0454","","","0.1083","0.1159","","","","","","1.035","","","","has coordinates","230848","2020-10-21","18:00:00",""
"7156386","9.1935","0.0001","14.7832","0.0002","30.8543","0.0005","90","","90","","90","","4193.39","0.1","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H45 Cl N O7 P Pd -","- C45 H45 Cl N O7 P Pd -","- C180 H180 Cl4 N4 O28 P4 Pd4 -","4","1","","Russell, David A.; Freudenreich, Julien J.; Stewart, Hannah L.; Bond, Andrew D.; Sore, Hannah F.; Spring, David R.","Semi-syntheses of the 11-hydroxyrotenoids sumatrol and villosinol.","Organic & biomolecular chemistry","2018","16","35","6395","6398","10.1039/c8ob01919c","","","0.71073","MoKα","","0.0912","0.0586","","","0.1037","0.1153","","","","","","1.063","","","","has coordinates","230844","2020-10-21","18:00:00",""
"7156387","14.4456","0.0003","9.07642","0.00017","22.7259","0.0005","90","","90","","90","","2979.69","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C136 H112 N16 O16 S8 -","8","1","","Bandyopadhyay, Debashruti; Thirupathi, Annaram; Dhage, Nagsen Munjaji; Mohanta, Nirmala; Peruncheralathan, S.","Nickel catalyzed site selective C-H functionalization of α-aryl-thioamides.","Organic & biomolecular chemistry","2018","16","35","6405","6409","10.1039/c8ob01712c","","x-ray","1.54184","CuKα","","0.1068","0.093","","","0.2366","0.2464","","","","","","1.165","","","","has coordinates","230850","2020-10-21","18:00:00",""
"7156388","11.7047","0.0002","10.3186","0.0002","13.6857","0.0003","90","","113.046","0.003","90","","1520.99","0.06","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C68 H56 N8 O8 S4 -","4","1","","Bandyopadhyay, Debashruti; Thirupathi, Annaram; Dhage, Nagsen Munjaji; Mohanta, Nirmala; Peruncheralathan, S.","Nickel catalyzed site selective C-H functionalization of α-aryl-thioamides.","Organic & biomolecular chemistry","2018","16","35","6405","6409","10.1039/c8ob01712c","","x-ray","1.54184","CuKα","","0.0467","0.0443","","","0.1217","0.1241","","","","","","1.0565","","","","has coordinates","230850","2020-10-21","18:00:00",""
"7156389","5.6165","0.0018","13.983","0.002","16.7686","0.0017","65.52","0.03","88.6","0.03","86.77","0.03","1196.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl N3 O8 S -","- C26 H20 Cl N3 O8 S -","- C52 H40 Cl2 N6 O16 S2 -","2","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Synthesis of polycyclic spirooxindoles via an asymmetric catalytic one-pot stepwise Aldol/chloroetherification/aromatization procedure.","Organic & biomolecular chemistry","2018","16","36","6647","6651","10.1039/c8ob01713a","","","0.71073","MoKα","","0.2192","0.0706","","","0.101","0.1237","","","","","","0.898","","","","has coordinates","230837","2020-10-21","18:00:00",""
"7156390","8.8442","0.0002","10.8918","0.0002","11.5077","0.0003","90","","90.266","0.003","90","","1108.52","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl N2 O4 -","- C23 H23 Cl N2 O4 -","- C46 H46 Cl2 N4 O8 -","2","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Synthesis of polycyclic spirooxindoles via an asymmetric catalytic one-pot stepwise Aldol/chloroetherification/aromatization procedure.","Organic & biomolecular chemistry","2018","16","36","6647","6651","10.1039/c8ob01713a","","","1.54184","CuKα","","0.0535","0.0401","","","0.0909","0.0997","","","","","","1.024","","","","has coordinates","230837","2020-10-21","18:00:00",""
"7156391","9.6804","0.0014","24.788","0.004","10.418","0.0016","90","","109.906","0.004","90","","2350.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 O3 P -","- C26 H29 O3 P -","- C104 H116 O12 P4 -","4","1","","Chen, Yao-Zhong; Zhu, Jie; Wu, Jin-Jin; Wu, Lei","Organobase catalyzed straightforward synthesis of phosphinyl functionalized 2H-pyran cores from allenylphosphine oxides and 1,3-diones.","Organic & biomolecular chemistry","2018","16","36","6675","6679","10.1039/c8ob01640b","","","0.71073","MoKα","","0.0789","0.049","","","0.128","0.1413","","","","","","1.027","","","","has coordinates","230839","2020-10-21","18:00:00",""
"7156392","6.6421","0.0005","9.7101","0.0007","15.1008","0.001","90","","97.188","0.007","90","","966.28","0.12","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Lu, Yandong; Zhao, Shan; Zhou, Shijie; Chen, Si-Cong; Luo, Tuoping","Enantioselective syntheses and application of 4-epi-galiellalactone and the corresponding activity-based probe: from strained bicycles to strained tricycles.","Organic & biomolecular chemistry","2019","17","7","1886","1892","10.1039/c8ob01915k","","","0.7107","MoKα","","0.0768","0.0501","","","0.1126","0.1269","","","","","","1.08","","","","has coordinates","225211","2020-10-21","18:00:00",""
"7156393","10.9261","0.0003","10.6284","0.0003","12.9254","0.0004","90","","90.813","0.003","90","","1500.84","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl O2 -","- C18 H19 Cl O2 -","- C72 H76 Cl4 O8 -","4","1","","Wu, Wanqing; Li, Can; Li, Jianxiao; Jiang, Huanfeng","Palladium-catalyzed cascade carboesterification of norbornene with alkynes.","Organic & biomolecular chemistry","2018","16","44","8495","8504","10.1039/c8ob01799a","","x-ray","1.54184","CuKα","","0.059","0.0561","","","0.1542","0.1588","","","","","","1.042","","","","has coordinates","230604","2020-10-21","18:00:00",""
"7156394","6.07129","0.00017","18.3833","0.0005","12.037","0.0003","90","","101.88","0.003","90","","1314.68","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl O2 -","- C16 H15 Cl O2 -","- C64 H60 Cl4 O8 -","4","1","","Wu, Wanqing; Li, Can; Li, Jianxiao; Jiang, Huanfeng","Palladium-catalyzed cascade carboesterification of norbornene with alkynes.","Organic & biomolecular chemistry","2018","16","44","8495","8504","10.1039/c8ob01799a","","x-ray","1.54184","CuKα","","0.0825","0.0815","","","0.2215","0.223","","","","","","1.034","","","","has coordinates","230604","2020-10-21","18:00:00",""
"7156395","12.3782","0.0003","12.3739","0.0003","15.7294","0.0004","90","","99.479","0.001","90","","2376.32","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,6-Bis(3-(trifluoromethyl)phenyl)-5,6-dihydrofuro[3,2-<i>b</i>:4,5-<i>b'</i>]diindole","","- C30 H16 F6 N2 O -","- C30.001 H16 F6.003 N2 O -","- C120.004 H64 F24.012 N8 O4 -","4","1","","Hoang, Huy Do; Janke, Julia; Amirjanyan, Aneta; Ghochikyan, Tariel; Flader, Anika; Villinger, Alexander; Ehlers, Peter; Lochbrunner, Stefan; Surkus, Annette-Enrica; Langer, Peter","Synthesis of furo[3,2-b:4,5-b']diindoles and their optical and electrochemical properties.","Organic & biomolecular chemistry","2018","16","35","6543","6551","10.1039/c8ob01737a","","","0.71073","MoKα","","0.1122","0.052","","","0.0971","0.122","","","","","","1.007","","","","has coordinates,has disorder","230845","2020-10-21","18:00:00",""
"7156396","15.538","0.005","6.0233","0.0019","37.422","0.012","90","","96.818","0.012","90","","3477.6","1.9","296","2","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C136 H152 N8 O32 S8 -","8","1","","Han, Teng; Luo, Xiaoyan","Thio-Michael addition of thioamides and allenes for the selective construction of polysubstituted 2-arylthiophenes via TBAI/H<sub>2</sub>O<sub>2</sub> promoted tandem oxidative annulation and 1,2-sulfur migration.","Organic & biomolecular chemistry","2018","16","37","8253","8257","10.1039/c8ob01835a","","","0.71073","MoKα","","0.1189","0.071","","","0.1658","0.1908","","","","","","1.055","","","","has coordinates,has disorder","230614","2020-10-21","18:00:00",""
"7156397","8.1025","0.0005","8.5681","0.0005","11.8342","0.0008","99.111","0.002","108.53","0.002","102.689","0.002","736.47","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","1","","Chen, Kuo-Hsin; Chiang, Yi-Jung; Zhu, Jia-Liang","Rhodium-catalyzed cyclization of acceptor-substituted biphenyl α-diazoketones: a study of the substitution effect on chemoselectivity.","Organic & biomolecular chemistry","2018","16","37","8353","8364","10.1039/c8ob01489b","","","0.71073","MoKα","","0.0664","0.0496","","","0.1317","0.1578","","","","","","0.999","","","","has coordinates","230616","2020-10-21","18:00:00",""
"7156398","5.206","0.0002","13.3385","0.0006","17.7829","0.0008","90","","90.2054","0.0017","90","","1234.84","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O3 S -","- C15 H12 O3 S -","- C60 H48 O12 S4 -","4","1","","Chen, Kuo-Hsin; Chiang, Yi-Jung; Zhu, Jia-Liang","Rhodium-catalyzed cyclization of acceptor-substituted biphenyl α-diazoketones: a study of the substitution effect on chemoselectivity.","Organic & biomolecular chemistry","2018","16","37","8353","8364","10.1039/c8ob01489b","","x-ray","0.71073","MoKα","","0.0468","0.0375","","","0.0916","0.0984","","","","","","1.048","","","","has coordinates","230616","2020-10-21","18:00:00",""
"7156399","6.3713","0.0003","23.7413","0.0012","8.8276","0.0004","90","","103.695","0.005","90","","1297.33","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","carbamothioate","S-phenyl cyclohexylcarbamothioate","","- C13 H17 N O S -","- C13 H17 N O S -","- C52 H68 N4 O4 S4 -","4","1","","Pathare, Ramdas S.; Patil, Vikas; Kaur, Harpreet; Maurya, Antim K.; Agnihotri, Vijai K.; Khan, Shahnawaz; Devunuri, Nagaraju; Sharon, Ashoke; Sawant, Devesh M.","Iodine-catalyzed cross-coupling of isocyanides and thiols for the synthesis of S-thiocarbamates.","Organic & biomolecular chemistry","2018","16","37","8263","8266","10.1039/c8ob01855c","","","0.71073","MoKα","","0.064","0.0517","","","0.1229","0.131","","","","","","1.058","","","","has coordinates","230615","2020-10-21","18:00:00",""
"7156400","7.2834","0.0004","7.5733","0.0004","12.2004","0.0007","92.486","0.002","94.926","0.002","96.678","0.002","664.96","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","7,7-diethyl-8-methyl-7,8-dihydroimidazo[2',1':3,4][1,4,2]-diazaborinino[1,6,5-gh]purin-11-ium-7-uide","","- C13 H17 B N6 -","- C13 H17 B N6 -","- C26 H34 B2 N12 -","2","1","","Zhang, Jiaxi; Hübner, Eike G; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Purine-substituted imidazolium mesomeric betaines and their tautomeric N-heterocyclic carbenes. Formation of a cyclic borane adduct.","Organic & biomolecular chemistry","2018","16","36","6801","6808","10.1039/c8ob01916a","","","1.54178","CuKα","","0.0376","0.0361","","","0.0938","0.0952","","","","","","1.037","","","","has coordinates","230836","2020-10-21","18:00:00",""
"7156401","5.0234","0.0015","12.137","0.004","13.751","0.004","90","","99.8","0.02","90","","826.2","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,2,4-Trimethylfuran-3-carboxamide","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","2","","Sultana, Sabera; Shim, Jae-Jin; Kim, Sung Hong; Lee, Yong Rok","Silver(i)/base-promoted propargyl alcohol-controlled regio- or stereoselective synthesis of furan-3-carboxamides and (Z)-enaminones.","Organic & biomolecular chemistry","2018","16","36","6749","6759","10.1039/c8ob01791c","","","0.71073","MoKα","","0.0556","0.0384","","","0.0884","0.1007","","","","","","1.011","","","","has coordinates","230841","2020-10-21","18:00:00",""
"7156402","5.1215","0.0015","9.156","0.003","20.332","0.006","98.617","0.011","95.001","0.01","97.261","0.01","929.6","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C46 H44 N4 O2 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-catalyzed cyclization of benzamides with alkynes: a facile route to isoquinolones with hydrogen evolution.","Organic & biomolecular chemistry","2018","16","37","8384","8389","10.1039/c8ob01924j","","","0.71073","MoKα","","0.1265","0.069","","","0.1476","0.1673","","","","","","1.025","","","","has coordinates","230611","2020-10-21","18:00:00",""
"7156403","8.697","0.004","11.477","0.004","12.404","0.005","93.694","0.009","96.086","0.01","106.015","0.01","1177.7","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O -","- C29 H30 N2 O -","- C58 H60 N4 O2 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-catalyzed cyclization of benzamides with alkynes: a facile route to isoquinolones with hydrogen evolution.","Organic & biomolecular chemistry","2018","16","37","8384","8389","10.1039/c8ob01924j","","","0.71073","MoKα","","0.1124","0.0657","","","0.1645","0.1978","","","","","","1.019","","","","has coordinates","230611","2020-10-21","18:00:00",""
"7156404","18.218","0.004","7.7675","0.0018","18.549","0.004","90","","111.106","0.005","90","","2448.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N2 O Si -","- C28 H34 N2 O Si -","- C112 H136 N8 O4 Si4 -","4","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-catalyzed cyclization of benzamides with alkynes: a facile route to isoquinolones with hydrogen evolution.","Organic & biomolecular chemistry","2018","16","37","8384","8389","10.1039/c8ob01924j","","","0.71073","MoKα","","0.1056","0.0592","","","0.146","0.1782","","","","","","0.993","","","","has coordinates","230611","2020-10-21","18:00:00",""
"7156405","5.8896","0.0009","10.8408","0.0014","11.3786","0.0015","90","","102.397","0.005","90","","709.56","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H17 O6 -","- C15 H17 O6 -","- C30 H34 O12 -","2","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.0943","0.0599","","","0.1219","0.1344","","","","","","1.034","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156406","5.072","0.005","10.504","0.005","14.874","0.005","90","0.005","92.305","0.005","90","0.005","791.8","0.9","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O6 -","- C15 H20 O6 -","- C30 H40 O12 -","2","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.0809","0.0549","","","0.118","0.1275","","","","","","1.021","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156407","5.0069","0.0004","9.5409","0.0007","26.84","0.002","90","","90","","90","","1282.16","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.099","0.0568","","","0.1212","0.1464","","","","","","1.08","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156408","10.047","0.005","15.961","0.005","24.731","0.005","90","0.005","90","0.005","90","0.005","3966","2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C40 H44 O20 -","- C40 H44 O20 -","- C160 H176 O80 -","4","0.5","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.062","0.0446","","","0.093","0.0997","","","","","","1.053","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156409","10.229","0.013","10.292","0.013","12.452","0.016","88.979","0.015","78.134","0.014","86.738","0.014","1281","3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C60 H70 N2 O4 -","2","1","","Jiang, Xiao-Li; Wu, Shu-Fang; Wang, Jin-Rong; Lu, Han; Mei, Guang-Jian; Shi, Feng","The [4 + 2] cyclization/retro-Mannich reaction cascade of para-quinone methide derivatives with Pd-containing 1,4-dipoles.","Organic & biomolecular chemistry","2018","16","37","8395","8402","10.1039/c8ob01274a","","","0.71073","MoKα","","0.09","0.0638","","","0.1701","0.1889","","","","","","0.984","","","","has coordinates","230612","2020-10-21","18:00:00",""
"7156410","7.865","0.004","8.24","0.005","10.747","0.007","100.15","0.03","96.1","0.04","112.36","0.04","622.4","0.7","296","2","296","2","","","","","","","","3","P 1","P 1","1","","X-78","","- C30 H38 O3 -","- C30 H38 O3 -","- C30 H38 O3 -","1","1","","Xie, Yang-Guo; Guo, Yi-Gong; Wu, Guo-Jing; Zhu, Sheng-Lan; Cheng, Tao-Fang; Zhang, Yu; Yan, Shi-Kai; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopsides A-D, four rare guaiane dimers with two unique bridged pentacyclic skeletons from Xylopia vielana.","Organic & biomolecular chemistry","2018","16","37","8408","8412","10.1039/c8ob01689e","","","1.54178","CuKα","","0.0456","0.042","","","0.1115","0.1173","","","","","","1.013","","","","has coordinates","230610","2020-10-21","18:00:00",""
"7156411","7.6619","0.0003","7.6737","0.0003","21.935","0.0009","97.812","0.002","92.511","0.002","94.499","0.002","1271.83","0.09","296","2","296","2","","","","","","","","3","P 1","P 1","1","","X-90","","- C30 H40 O2 -","- C30 H40 O2 -","- C60 H80 O4 -","2","2","","Xie, Yang-Guo; Guo, Yi-Gong; Wu, Guo-Jing; Zhu, Sheng-Lan; Cheng, Tao-Fang; Zhang, Yu; Yan, Shi-Kai; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopsides A-D, four rare guaiane dimers with two unique bridged pentacyclic skeletons from Xylopia vielana.","Organic & biomolecular chemistry","2018","16","37","8408","8412","10.1039/c8ob01689e","","","1.54178","CuKα","","0.0999","0.0931","","","0.2768","0.2842","","","","","","1.051","","","","has coordinates","230610","2020-10-21","18:00:00",""
"7156412","8.4187","0.0014","9.0328","0.0014","13.363","0.002","104.129","0.002","99.655","0.002","103.737","0.002","929.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C50 H34 N2 O4 -","2","1","","He, Xinwei; Wang, Hui; Cai, Xiaoting; Li, Qianqian; Tao, Jiajia; Shang, Yongjia","FeCl<sub>3</sub>-promoted tandem 1,4-conjugate addition/6-endo-dig cyclization/oxidation of propargylamines and benzoylacetonitriles/malononitriles: direct access to functionalized 2-aryl-4H-chromenes.","Organic & biomolecular chemistry","2018","16","39","7191","7202","10.1039/c8ob01927d","","","0.71073","MoKα","","0.0665","0.0499","","","0.1308","0.1393","","","","","","1.091","","","","has coordinates","230697","2020-10-21","18:00:00",""
"7156413","7.4925","0.0004","9.5061","0.0005","10.1328","0.0006","76.219","0.003","73.54","0.003","83.242","0.003","671.23","0.07","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 N2 O -","- C18 H10 N2 O -","- C36 H20 N4 O2 -","2","1","","He, Xinwei; Wang, Hui; Cai, Xiaoting; Li, Qianqian; Tao, Jiajia; Shang, Yongjia","FeCl<sub>3</sub>-promoted tandem 1,4-conjugate addition/6-endo-dig cyclization/oxidation of propargylamines and benzoylacetonitriles/malononitriles: direct access to functionalized 2-aryl-4H-chromenes.","Organic & biomolecular chemistry","2018","16","39","7191","7202","10.1039/c8ob01927d","","","0.71073","MoKα","","0.0843","0.0574","","","0.1244","0.142","","","","","","1.041","","","","has coordinates","230697","2020-10-21","18:00:00",""
"7156414","19.493","0.005","17.572","0.005","8.547","0.002","90","","93.428","0.004","90","","2922.4","1.3","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C[4]pAP(Hex4)","","","- C62 H92 N4 O6 -","- C62 H92 N4 O6 -","- C124 H184 N8 O12 -","2","0.5","","Hayakawa, Masahide; Ohsawa, Ayaka; Takeda, Kumi; Torii, Ryo; Kitamura, Yoshiaki; Katagiri, Hiroshi; Ikeda, Masato","Cyclic arylopeptoid oligomers: synthesis and conformational propensities of peptide-mimetic aromatic macrocycles.","Organic & biomolecular chemistry","2018","16","44","8505","8512","10.1039/c8ob01962b","","","0.71075","MoKα","","0.0628","0.0491","","","0.1065","0.1136","","","","","","1.095","","","","has coordinates","230602","2020-10-21","18:00:00",""
"7156415","40.5482","0.0009","5.749","0.0001","26.1364","0.0007","90","","105.526","0.002","90","","5870.4","0.2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C[4]pAP(iBt-mBzl-iBt-mBzl)","","","- C59 H63 Cl9 N4 O6 -","- C59 H63 Cl9 N4 O6 -","- C236 H252 Cl36 N16 O24 -","4","0.5","","Hayakawa, Masahide; Ohsawa, Ayaka; Takeda, Kumi; Torii, Ryo; Kitamura, Yoshiaki; Katagiri, Hiroshi; Ikeda, Masato","Cyclic arylopeptoid oligomers: synthesis and conformational propensities of peptide-mimetic aromatic macrocycles.","Organic & biomolecular chemistry","2018","16","44","8505","8512","10.1039/c8ob01962b","","","0.71073","MoKα","","0.0964","0.0865","","","0.2679","0.2767","","","","","","1.13","","","","has coordinates","230602","2020-10-21","18:00:00",""
"7156416","20.7367","0.0006","19.2582","0.0005","8.3754","0.0003","90","","90","","90","","3344.73","0.18","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C79 H90 O8 -","- C79 H90 O8 -","- C158 H180 O16 -","2","0.5","","Liu, Jie-Qing; Xu, Ying; Xiao, Qin; Huang, Jin-Di; Ma, Jun-Jie; Lian, Chen-Lei; Huang, Mei-Ying; Du, Zhen-Bo; Wang, Cui-Fang","Dimericursones A and B: two unprecedented hexacyclic dimeric diterpenoids from the root barks of Jatropha curcas.","Organic & biomolecular chemistry","2018","16","37","8305","8310","10.1039/c8ob02082e","","x-ray","1.54184","CuKα","","0.0545","0.0467","","","0.1216","0.1284","","","","","","1.03","","","","has coordinates","230617","2020-10-21","18:00:00",""
"7156417","9.8979","0.0003","22.3751","0.0008","16.4276","0.0005","90","","105.896","0.003","90","","3499","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Dimericursone B","","- C82 H92 O8 -","- C82 H92 O8 -","- C164 H184 O16 -","2","1","","Liu, Jie-Qing; Xu, Ying; Xiao, Qin; Huang, Jin-Di; Ma, Jun-Jie; Lian, Chen-Lei; Huang, Mei-Ying; Du, Zhen-Bo; Wang, Cui-Fang","Dimericursones A and B: two unprecedented hexacyclic dimeric diterpenoids from the root barks of Jatropha curcas.","Organic & biomolecular chemistry","2018","16","37","8305","8310","10.1039/c8ob02082e","","x-ray","1.54184","CuKα","","0.058","0.0496","","","0.1249","0.1344","","","","","","1.031","","","","has coordinates","230617","2020-10-21","18:00:00",""
"7156418","9.7271","0.0019","7.2173","0.0014","11.15","0.002","90","","111.74","0.03","90","","727.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 F3 N2 O8 -","- C10 H17 F3 N2 O8 -","- C20 H34 F6 N4 O16 -","2","1","","Voznesenskaia, Natalia G.; Shmatova, Olga I.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Enantioselective synthesis of α-perfluoroalkylated prolines, their 6,7-membered homologues and derivatives.","Organic & biomolecular chemistry","2018","16","38","7004","7011","10.1039/c8ob01223g","","","0.9699","synchrotron","","0.0815","0.0562","","","0.1165","0.1365","","","","","","0.91","","","","has coordinates","230875","2020-10-21","18:00:00",""
"7156419","14.457","0.008","7.977","0.004","25.613","0.014","90","","96.424","0.009","90","","2935","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N2 O4 -","- C17 H12 N2 O4 -","- C136 H96 N16 O32 -","8","2","","Pan, Dalong; Chu, Jinpeng; Gao, Xianrui; Wang, Cuiping; Meng, Qingtao; Chi, Haijun; Dong, Yan; Duan, Chunying; Zhang, Zhiqiang","Regioselective N-1 and C-2 diacylation of 3-substituted indoles with arylglyoxal hydrates for the synthesis of indolyl diketones.","Organic & biomolecular chemistry","2018","16","38","6998","7003","10.1039/c8ob01776j","","","0.71073","MoKα","","0.1545","0.0875","","","0.2152","0.2721","","","","","","1.148","","","","has coordinates","230869","2020-10-21","18:00:00",""
"7156420","11.222","0.009","10.455","0.008","13.216","0.01","90","","104.726","0.013","90","","1500","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Br2 N2 O4 -","- C34 H24 Br2 N2 O4 -","- C68 H48 Br4 N4 O8 -","2","0.5","","Pan, Dalong; Chu, Jinpeng; Gao, Xianrui; Wang, Cuiping; Meng, Qingtao; Chi, Haijun; Dong, Yan; Duan, Chunying; Zhang, Zhiqiang","Regioselective N-1 and C-2 diacylation of 3-substituted indoles with arylglyoxal hydrates for the synthesis of indolyl diketones.","Organic & biomolecular chemistry","2018","16","38","6998","7003","10.1039/c8ob01776j","","","0.71073","MoKα","","0.0757","0.0665","","","0.1926","0.2026","","","","","","1.122","","","","has coordinates","230869","2020-10-21","18:00:00",""
"7156421","8.2385","0.0002","12.3118","0.0003","19.8734","0.0005","80.876","0.006","87.787","0.006","86.969","0.006","1986.55","0.09","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 N4 O6 S2 -","- C40 H56 N4 O6 S2 -","- C80 H112 N8 O12 S4 -","2","1","","Ito, Motoki; Nakagawa, Tomoya; Higuchi, Kazuhiro; Sugiyama, Shigeo","Dirhodium(ii)-catalyzed ortho C-H amination of sterically congested N,N-dialkylanilines.","Organic & biomolecular chemistry","2018","16","38","6876","6881","10.1039/c8ob01974f","","","1.54187","CuKα","","0.0383","0.0355","","","0.0943","0.0961","","","","","","1.044","","","","has coordinates","230874","2020-10-21","18:00:00",""
"7156422","26.8559","0.0007","5.3064","0.0001","13.945","0.0004","90","","101.233","0.001","90","","1949.21","0.08","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Furyl chalcone dimer","","- C26 H20 O6 -","- C26 H20 O6 -","- C104 H80 O24 -","4","0.5","","Kashyap, Akshay; Bokosike, Treyvon K.; Bhuvanesh, Nattamai; Pattabiraman, Mahesh","Stereo- and regioselective photocycloaddition of extended alkenes using γ-cyclodextrin.","Organic & biomolecular chemistry","2018","16","38","6870","6875","10.1039/c8ob01966e","","","1.54178","CuKα","","0.0398","0.0372","","","0.0931","0.0958","","","","","","1.067","","","","has coordinates","230873","2020-10-21","18:00:00",""
"7156423","9.3615","0.0003","11.4117","0.0004","12.4513","0.0004","105.753","0.002","98.617","0.002","95.08","0.002","1254.04","0.07","100","","100","","","","","","","","none","3","P -1","-P 1","2","","Parent Chalcone Dimer","","- C34 H28 O2 -","- C34 H28 O2 -","- C68 H56 O4 -","2","1","","Kashyap, Akshay; Bokosike, Treyvon K.; Bhuvanesh, Nattamai; Pattabiraman, Mahesh","Stereo- and regioselective photocycloaddition of extended alkenes using γ-cyclodextrin.","Organic & biomolecular chemistry","2018","16","38","6870","6875","10.1039/c8ob01966e","","","1.54178","CuKα","","0.0548","0.0452","","","0.1038","0.1102","","","","","","1.059","","","","has coordinates","230873","2020-10-21","18:00:00",""
"7156424","7.2405","0.0007","16.1028","0.0016","12.0426","0.0012","90","","91.275","0.002","90","","1403.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","","Yang, Wei; Wang, Jingyi; Wang, He; Li, Lei; Guan, Yuekai; Xu, Xianxiu; Yu, Dayu","Rhodium(iii)-catalyzed three-component cascade synthesis of 6H-benzo[c]chromenes through C-H activation.","Organic & biomolecular chemistry","2018","16","38","6865","6869","10.1039/c8ob01938j","","","0.71073","MoKα","","0.085","0.0547","","","0.1337","0.1571","","","","","","1.028","","","","has coordinates","230868","2020-10-21","18:00:00",""
"7156425","11.4816","0.0008","12.2451","0.0006","16.6439","0.0009","90","","90","","90","","2340","0.2","292.64","0.1","292.64","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 N4 O Si -","- C24 H28 N4 O Si -","- C96 H112 N16 O4 Si4 -","4","1","","Xie, Ming-Sheng; Cheng, Xuan; Chen, Yang-Guang; Wu, Xiao-Xia; Qu, Gui-Rong; Guo, Hai-Ming","Efficient synthesis of tetrazole hemiaminal silyl ethers via three-component hemiaminal silylation.","Organic & biomolecular chemistry","2018","16","38","6890","6894","10.1039/c8ob02089b","","x-ray","0.71073","MoKα","","0.0538","0.038","","","0.085","0.0911","","","","","","1.041","","","","has coordinates","230870","2020-10-21","18:00:00",""
"7156426","6.543","0.0008","10.2385","0.0013","14.1084","0.0019","71.826","0.012","83.376","0.01","78.57","0.01","878.7","0.2","293","0.2","293","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N4 O Si -","- C15 H24 N4 O Si -","- C30 H48 N8 O2 Si2 -","2","1","","Xie, Ming-Sheng; Cheng, Xuan; Chen, Yang-Guang; Wu, Xiao-Xia; Qu, Gui-Rong; Guo, Hai-Ming","Efficient synthesis of tetrazole hemiaminal silyl ethers via three-component hemiaminal silylation.","Organic & biomolecular chemistry","2018","16","38","6890","6894","10.1039/c8ob02089b","","x-ray","0.71073","MoKα","","0.0993","0.0675","","","0.1548","0.1727","","","","","","1.049","","","","has coordinates","230870","2020-10-21","18:00:00",""
"7156427","8.811","0.003","20.892","0.008","10.95","0.004","90","","105.717","0.012","90","","1940.3","1.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br N2 O3 -","- C24 H17 Br N2 O3 -","- C96 H68 Br4 N8 O12 -","4","1","","Su, Lin; Yu, Zheng; Ren, Peiling; Luo, Zhi; Hou, Wei; Xu, Hongtao","Ruthenium(ii)-catalyzed synthesis of indazolone-fused cinnolines via C-H coupling with diazo compounds.","Organic & biomolecular chemistry","2018","16","39","7236","7244","10.1039/c8ob02071j","","","0.71073","MoKα","","0.0661","0.0458","","","0.1138","0.1245","","","","","","1.042","","","","has coordinates","230696","2020-10-21","18:00:00",""
"7156428","13.0946","0.001","15.5628","0.0013","18.5598","0.0015","79.233","0.004","72.605","0.004","72.961","0.004","3430.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H87 Cl4 N7 O10 -","- C73 H87 Cl4 N7 O10 -","- C146 H174 Cl8 N14 O20 -","2","1","","Saura-Sanmartin, Adrian; Martinez-Cuezva, Alberto; Pastor, Aurelia; Bautista, Delia; Berna, Jose","Light-driven exchange between extended and contracted lasso-like isomers of a bistable [1]rotaxane.","Organic & biomolecular chemistry","2018","16","38","6980","6987","10.1039/c8ob02234h","","","0.71073","MoKα","","0.1042","0.0775","","","0.2158","0.2408","","","","","","1.016","","","","has coordinates,has disorder","230871","2020-10-21","18:00:00",""
"7156429","11.551","0.003","12.966","0.003","15.938","0.004","90","","104.819","0.006","90","","2307.6","1","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 F N2 O4 -","- C30 H25 F N2 O4 -","- C120 H100 F4 N8 O16 -","4","1","","Gupta, Vijay; Pandey, Satish K.; Singh, Ravi P.","Facile synthesis of triphenylenes and triphenylene/phenanthrene fused heteroaromatics.","Organic & biomolecular chemistry","2018","16","39","7134","7138","10.1039/c8ob01930d","","","0.71073","MoKα","","0.1613","0.0953","","","0.2305","0.2775","","","","","","1.065","","","","has coordinates","230691","2020-10-21","18:00:00",""
"7156430","6.9592","0.0004","9.9148","0.0005","27.7881","0.0015","90","","90","","90","","1917.35","0.18","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.035","0.0337","","","0.0882","0.0894","","","","","","1.05","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156431","10.5475","0.0015","20.671","0.003","24.988","0.004","90","","90","","90","","5448.1","1.4","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 F3 N O4 -","- C19 H18 F3 N O4 -","- C228 H216 F36 N12 O48 -","12","3","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.1068","0.0704","","","0.1662","0.1921","","","","","","0.981","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156432","8.0982","0.0007","16.4309","0.0013","10.0674","0.0008","90","","113.247","0.002","90","","1230.82","0.18","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H31 N O2 -","- C31 H31 N O2 -","- C62 H62 N2 O4 -","2","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.0686","0.0563","","","0.0942","0.0986","","","","","","1.146","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156433","7.6334","0.0016","14.828","0.003","15.793","0.003","90","","90","","90","","1787.6","0.6","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.051","0.0499","","","0.1238","0.125","","","","","","1.066","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156434","5.56","0.005","7.747","0.007","22.119","0.019","90","","91.199","0.016","90","","952.5","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F O2 -","- C11 H11 F O2 -","- C44 H44 F4 O8 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.1177","0.0756","","","0.1612","0.1789","","","","","","0.934","","","","has coordinates","230690","2020-10-21","18:00:00",""
"7156435","10.1019","0.0017","9.4796","0.0016","9.9375","0.0017","90","","90","","90","","951.6","0.3","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.0415","0.0378","","","0.0851","0.0865","","","","","","1.035","","","","has coordinates","230690","2020-10-21","18:00:00",""
"7156436","5.605","0.002","7.129","0.003","24.013","0.009","90","","90","","90","","959.5","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 F O2 -","- C11 H11 F O2 -","- C44 H44 F4 O8 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.0563","0.0478","","","0.1044","0.1075","","","","","","1.086","","","","has coordinates","230690","2020-10-21","18:00:00",""
"7156437","8.3403","0.0002","15.6568","0.0004","16.7849","0.0004","90","","90","","90","","2191.81","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 Br O5 -","- C26 H17 Br O5 -","- C104 H68 Br4 O20 -","4","1","","Xu, Han; Sha, Feng; Li, Qiong; Wu, Xin-Yan","Catalytic asymmetric Tamura cycloaddition of homophthalic anhydrides with 2-arylidene-1,3-diones.","Organic & biomolecular chemistry","2018","16","39","7214","7222","10.1039/c8ob01970c","","","0.71073","MoKα","","0.0327","0.0276","","","0.0669","0.0694","","","","","","1.022","","","","has coordinates","230695","2020-10-21","18:00:00",""
"7156438","16.19","0.002","19.621","0.003","8.6624","0.0015","90","","95.873","0.013","90","","2737.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N2 O4 -","- C31 H26 N2 O4 -","- C124 H104 N8 O16 -","4","1","","Wang, Qing; Huang, Kun; Cai, Songtao; Liu, Chang; Jiao, Xiaojie; He, Song; Zhao, Liancheng; Zeng, Xianshun","Synthesis of near-infrared fluorescent rhodamines via an S<sub>N</sub>Ar<sup>H</sup> reaction and their biological applications.","Organic & biomolecular chemistry","2018","16","39","7163","7169","10.1039/c8ob01701h","","x-ray","0.71073","MoKα","","0.1093","0.0577","","","0.1378","0.1599","","","","","","0.918","","","","has coordinates","230694","2020-10-21","18:00:00",""
"7156439","9.4624","0.0008","10.6408","0.0009","12.1773","0.0011","65.565","0.001","86.673","0.002","68.952","0.001","1035.87","0.16","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 O5 -","- C25 H24 O5 -","- C50 H48 O10 -","2","1","","Wang, Jia-Yin; Xie, Feng-Lie; Hu, Jian-Qiang; Yang, Shi-Zhao; Wang, You-Jian; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Atom-economic synthesis of cyclobuta[a]naphthalen-4-ols via a base-promoted [2 + 2] cycloaddition/1,6-nucleophilic addition cascade.","Organic & biomolecular chemistry","2018","16","39","7104","7108","10.1039/c8ob02042f","","","0.71073","MoKα","","0.0755","0.0471","","","0.1048","0.1151","","","","","","1.049","","","","has coordinates","230692","2020-10-21","18:00:00",""
"7156440","7.2034","0.0005","10.7772","0.0007","10.7933","0.0007","103.292","0.006","93.266","0.005","105.419","0.006","779.86","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 N2 -","- C20 H20 N2 -","- C40 H40 N4 -","2","1","","Pan, Xuan; Ma, Yantao; Liu, Zhanzhu","A concise synthesis of (E)-3-aryl-2,3,4,5-tetrahydro-1H-3-benzazonines by aryne induced [2,3] Stevens rearrangement of 1,2,3,4-tetrahydroisoquinolines.","Organic & biomolecular chemistry","2018","16","40","7393","7399","10.1039/c8ob02099j","","x-ray","0.71073","MoKα","","0.0545","0.0445","","","0.1043","0.1132","","","","","","1.03","","","","has coordinates","230782","2020-10-21","18:00:00",""
"7156441","8.9977","0.0004","10.0861","0.0006","14.7007","0.0006","86.402","0.004","72.916","0.004","65.81","0.005","1160.73","0.11","294.24","0.1","294.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H66 O8 P2 Rh2 -","- C44 H66 O8 P2 Rh2 -","- C44 H66 O8 P2 Rh2 -","1","0.5","","Ma, Ziling; Wang, Yuanhua","Dirhodium(ii)/P(t-Bu)<sub>3</sub> catalyzed tandem reaction of α,β-unsaturated aldehydes with arylboronic acids.","Organic & biomolecular chemistry","2018","16","40","7470","7476","10.1039/c8ob01997e","","x-ray","1.54184","CuKα","","0.0466","0.0422","","","0.1138","0.12","","","","","","1.035","","","","has coordinates","230783","2020-10-21","18:00:00",""
"7156442","8.7113","0.0004","9.9865","0.0005","14.7594","0.0008","78.689","0.004","73.106","0.005","64.253","0.005","1102.97","0.11","294.24","0.1","294.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 O8 P2 Rh2 -","- C44 H54 O8 P2 Rh2 -","- C44 H54 O8 P2 Rh2 -","1","0.5","","Ma, Ziling; Wang, Yuanhua","Dirhodium(ii)/P(t-Bu)<sub>3</sub> catalyzed tandem reaction of α,β-unsaturated aldehydes with arylboronic acids.","Organic & biomolecular chemistry","2018","16","40","7470","7476","10.1039/c8ob01997e","","x-ray","1.54184","CuKα","","0.0626","0.0538","","","0.142","0.1563","","","","","","1.03","","","","has coordinates","230783","2020-10-21","18:00:00",""
"7156443","10.8008","0.0007","7.1714","0.0003","12.5418","0.0007","90","","101.366","0.002","90","","952.4","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Ghorai, Jayanta; Chaitanya, Manthena; Anbarasan, Pazhamalai","Cp*Co(iii)-catalysed selective alkylation of C-H bonds of arenes and heteroarenes with α-diazocarbonyl compounds.","Organic & biomolecular chemistry","2018","16","40","7346","7350","10.1039/c8ob02111b","","x-ray","0.71073","MoKα","","0.0305","0.0283","","","0.0697","0.0718","","","","","","1.029","","","","has coordinates","230781","2020-10-21","18:00:00",""
"7156444","17.651","0.004","11.598","0.003","18.625","0.005","90","","98.778","0.005","90","","3768.2","1.6","293","2","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Br2 O10 -","- C38 H34 Br2 O10 -","- C152 H136 Br8 O40 -","4","1","","Karki, Bhupal Singh; Pramanik, Mukund M. D.; Kant, Ruchir; Rastogi, Namrata","Visible light catalyzed reaction of α-bromochalcones with chalcones: direct access to the urundeuvine scaffold.","Organic & biomolecular chemistry","2018","16","39","7152","7156","10.1039/c8ob01881b","","","0.71075","MoKα","","0.1436","0.0647","","","0.1534","0.1871","","","","","","0.999","","","","has coordinates","230693","2020-10-21","18:00:00",""
"7156445","13.541","0.008","9.928","0.006","20.222","0.015","90","","90.67","0.014","90","","2718","3","293","2","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N O5 -","- C31 H23 N O5 -","- C124 H92 N4 O20 -","4","1","","Karki, Bhupal Singh; Pramanik, Mukund M. D.; Kant, Ruchir; Rastogi, Namrata","Visible light catalyzed reaction of α-bromochalcones with chalcones: direct access to the urundeuvine scaffold.","Organic & biomolecular chemistry","2018","16","39","7152","7156","10.1039/c8ob01881b","","","0.71075","MoKα","","0.2578","0.0936","","","0.2429","0.2884","","","","","","0.859","","","","has coordinates","230693","2020-10-21","18:00:00",""
"7156446","7.0651","0.0002","7.1483","0.0003","17.7906","0.0005","83.865","0.003","81.293","0.002","75.066","0.003","855.97","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N O5 S -","- C19 H15 N O5 S -","- C38 H30 N2 O10 S2 -","2","1","","Habert, Loïc; Retailleau, Pascal; Gillaizeau, Isabelle","Rapid synthesis of 3-amino isocoumarin derivatives from ynamides.","Organic & biomolecular chemistry","2018","16","40","7351","7355","10.1039/c8ob02305k","","x-ray","0.71073","MoKα","","0.0524","0.0425","","","0.1178","0.1244","","","","","","1.071","","","","has coordinates","230779","2020-10-21","18:00:00",""
"7156447","19.3435","0.0009","25.2081","0.0011","20.5824","0.0014","90","","110.81","0.008","90","","9381.5","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C109 H114 Cl2 O10 -","- C109 H114 Cl2 O10 -","- C436 H456 Cl8 O40 -","4","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","An alternative route for the synthesis of hydroxylated pillar[5]arene-based amphiphiles.","Organic & biomolecular chemistry","2018","16","40","7513","7517","10.1039/c8ob02074d","","","0.71075","MoKα","","0.1948","0.0977","","","0.2708","0.3362","","","","","","1.037","","","","has coordinates","230780","2020-10-21","18:00:00",""
"7156448","20.536","0.0005","21.5224","0.0005","20.996","0.0015","90","","109.55","0.008","90","","8744.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C109 H98 Cl4 O10 -","- C109 H98 Cl4 O10 -","- C436 H392 Cl16 O40 -","4","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","An alternative route for the synthesis of hydroxylated pillar[5]arene-based amphiphiles.","Organic & biomolecular chemistry","2018","16","40","7513","7517","10.1039/c8ob02074d","","","0.71075","MoKα","","0.1022","0.0753","","","0.2366","0.2626","","","","","","1.087","","","","has coordinates","230780","2020-10-21","18:00:00",""
"7156449","9.0912","0.0017","17.553","0.003","20.148","0.004","90","","90","","90","","3215.2","1","296","2","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 F2 N2 O S -","- C31 H28 F2 N2 O S -","- C124 H112 F8 N8 O4 S4 -","4","1","","Liu, Feng; Zhao, Guoqing; Cai, Weiqi; Xu, Dongfang; Zhao, Baoguo","Aminative Umpolung cyclization for synthesis of chiral exocyclic vicinal diamines.","Organic & biomolecular chemistry","2018","16","40","7498","7502","10.1039/c8ob02000k","","","0.71073","MoKα","","0.1577","0.067","","","0.178","0.2264","","","","","","0.998","","","","has coordinates","230778","2020-10-21","18:00:00",""
"7156450","11.2418","0.0017","11.3491","0.0016","11.7184","0.0018","98.339","0.003","114.149","0.003","93.521","0.003","1337.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H28 F2 N2 O S -","- C31 H28 F2 N2 O S -","- C62 H56 F4 N4 O2 S2 -","2","1","","Liu, Feng; Zhao, Guoqing; Cai, Weiqi; Xu, Dongfang; Zhao, Baoguo","Aminative Umpolung cyclization for synthesis of chiral exocyclic vicinal diamines.","Organic & biomolecular chemistry","2018","16","40","7498","7502","10.1039/c8ob02000k","","","0.71073","MoKα","","0.0755","0.0588","","","0.1384","0.1492","","","","","","1.049","","","","has coordinates,has disorder","230778","2020-10-21","18:00:00",""
"7156451","12.628","0.0004","12.0003","0.0003","26.2562","0.0008","90","","96.197","0.003","90","","3955.6","0.2","299.68","0.1","299.68","0.1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C42 H29 N O7 -","- C42 H29 N O7 -","- C168 H116 N4 O28 -","4","1","","Wang, Qing; Jiao, Xiaojie; Liu, Chang; Huang, Kun; He, Song; Zhao, Liancheng; Zeng, Xianshun","Novel π-extended hybrid xanthene dyes with two spirolactone rings for optoelectronic and biological applications.","Organic & biomolecular chemistry","2018","16","41","7609","7618","10.1039/c8ob01671b","","x-ray","1.54184","CuKα","","0.1121","0.0974","","","0.2989","0.315","","","","","","1.052","","","","has coordinates,has disorder","230626","2020-10-21","18:00:00",""
"7156452","27.129","0.017","18.648","0.017","12.694","0.009","90","","113.879","0.012","90","","5872","8","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","oDL2tTtPP","","- C69 H74 Cl2 N6 O4 -","- C69 H74 Cl2 N6 O4 -","- C276 H296 Cl8 N24 O16 -","4","0.5","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.1834","0.1151","","","0.2942","0.3314","","","","","","1.027","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156453","15.965","0.003","27.529","0.004","15.694","0.003","90","","96.929","0.004","90","","6847","2","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DL6TtPP","","- C73 H85 Cl3 N4 O4 -","- C73 H85 Cl3 N4 O4 -","- C292 H340 Cl12 N16 O16 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.0991","0.0821","","","0.1906","0.2015","","","","","","1.07","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156454","14.617","0.0015","14.7467","0.0011","16.7737","0.0016","103.061","0.007","96.845","0.008","96.377","0.007","3461.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","oDL4tTtPP","","- C68 H76 N4 O4 -","- C68 H75 N4 O4 -","- C136 H150 N8 O8 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1952","0.126","","","0.3181","0.378","","","","","","0.889","","","","has coordinates","230629","2020-10-21","18:00:00",""
"7156455","14.492","0.003","17.096","0.003","17.259","0.004","63.01","0.03","80.01","0.03","72.54","0.03","3631.2","1.7","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","DL5TtPP","","- C70 H78 N4 O4 -","- C70 H78 N4 O4 -","- C140 H156 N8 O8 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.2349","0.1578","","","0.3651","0.3934","","","","","","0.804","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156456","18.3696","0.0016","18.3696","0.0016","21.91","0.003","90","","90","","90","","7393.4","1.4","296","2","296","2","","","","","","","","4","I 41","I 4bw","80","","oDL2cTtPP","","- C64 H66 N4 O4 -","- C64 H66 N4 O4 -","- C256 H264 N16 O16 -","4","0.5","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.1849","0.1274","","","0.2902","0.3176","","","","","","0.897","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156457","15.6212","0.0004","31.4079","0.0012","25.8937","0.0007","90","","90","","90","","12704.2","0.7","124","3","124","3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","oDL5cTtPP","","- C141 H157 Cl3 N8 O8 -","- C141 H157 Cl3 N8 O8 -","- C564 H628 Cl12 N32 O32 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","x-ray","1.54184","CuKα","","0.1347","0.0831","","","0.213","0.2486","","","","","","1.003","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156458","15.8871","0.0007","15.388","0.0006","28.3212","0.001","90","","99.078","0.004","90","","6837","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","oDL4cTtPP","","- C71 H77 Cl9 N4 O4 -","- C71 H77 Cl9 N4 O4 -","- C284 H308 Cl36 N16 O16 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1129","0.0923","","","0.2596","0.2835","","","","","","1.024","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156459","14.0704","0.0007","15.4579","0.0008","16.7918","0.0007","94.439","0.004","104.38","0.004","95.483","0.004","3502.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","oDL5tTtPP","","- C71 H78 Cl3 N4 O4 -","- C71 H78 Cl3 N4 O4 -","- C142 H156 Cl6 N8 O8 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.119","0.0868","","","0.241","0.2689","","","","","","1.088","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156460","13.8646","0.0009","15.0707","0.001","16.8583","0.0011","109.209","0.006","103.622","0.006","95.483","0.005","3174.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","oDL3tTtPP","","- C69 H74 Cl6 N4 O5 -","- C69 H65 Cl6 N4 O5 -","- C138 H130 Cl12 N8 O10 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1372","0.1076","","","0.293","0.335","","","","","","1.196","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156461","15.686","0.003","17.859","0.004","30.123","0.006","83.93","0.03","80.74","0.03","65.76","0.03","7587","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","DL7TtPP","","- C76 H87 Cl6 N4 O4 -","- C76 H87 Cl6 N4 O4 -","- C304 H348 Cl24 N16 O16 -","4","2","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.1615","0.1116","","","0.312","0.3652","","","","","","1.157","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156462","14.032","0.0014","16.469","0.0018","16.525","0.0018","114.288","0.013","91.261","0.002","94.928","0.015","3461","0.7","113","2","113.15","","","","","","","","","4","P -1","-P 1","2","","DL4TtPP","","- C74 H79 N5 O6 -","- C74 H79 N5 O6 -","- C148 H158 N10 O12 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54187","CuKα","","0.0766","0.0699","","","0.1908","0.2047","","","","","","1.089","","","","has coordinates","230629","2020-10-21","18:00:00",""
"7156463","16.2769","0.0018","18.6656","0.0014","19.3939","0.0016","90","","90","","90","","5892.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","oDL3cTtPP","","- C66 H70 N4 O4 -","- C66 H70 N4 O4 -","- C264 H280 N16 O16 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1421","0.1041","","","0.28","0.3139","","","","","","1","","","","has coordinates","230629","2020-10-21","18:00:00",""
"7156464","9.8049","0.0009","9.8109","0.001","11.398","0.0012","87.971","0.004","75.802","0.004","85.937","0.004","1060.08","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H23 O3 -","- C27 H23 O3 -","- C54 H46 O6 -","2","1","","Yaragorla, Srinivasarao; Rajesh, P.","Regiospecific formal [3 + 2] annulation of tert-propargyl alcohols with acyclic 1,3-diketones via the cycloisomerization of homoallenyl ketones.","Organic & biomolecular chemistry","2019","17","7","1924","1928","10.1039/c8ob02158a","","","0.71073","MoKα","","0.0779","0.0603","","","0.1658","0.1761","","","","","","1.065","","","","has coordinates","225210","2020-10-21","18:00:00",""
"7156465","9.9166","0.0011","10.0554","0.0013","12.1593","0.0015","106.883","0.005","98.953","0.005","94.007","0.005","1137.6","0.2","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H26 O3 -","- C28 H26 O3 -","- C56 H52 O6 -","2","1","","Yaragorla, Srinivasarao; Rajesh, P.","Regiospecific formal [3 + 2] annulation of tert-propargyl alcohols with acyclic 1,3-diketones via the cycloisomerization of homoallenyl ketones.","Organic & biomolecular chemistry","2019","17","7","1924","1928","10.1039/c8ob02158a","","","0.71073","MoKα","","0.1298","0.0607","","","0.1322","0.1611","","","","","","0.956","","","","has coordinates","225210","2020-10-21","18:00:00",""
"7156466","7.2086","0.0002","12.6711","0.0004","8.3699","0.0003","90","","98.408","0.003","90","","756.3","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H13 N O3 -","- C20 H13 N O3 -","- C40 H26 N2 O6 -","2","1","","Panda, Niranjan; Mattan, Irshad; Ojha, Subhadra; Purohit, Chandra Shekhar","Synthesis of medium-sized (6-7-6) ring compounds by iron-catalyzed C-H activation/annulation [corrected].","Organic & biomolecular chemistry","2018","16","42","7861","7870","10.1039/c8ob01496e","","","1.54184","CuKα","","0.0448","0.0426","","","0.1169","0.1204","","","","","","1.083","","","","has coordinates","230689","2020-10-21","18:00:00",""
"7156467","8.2532","0.0008","11.5789","0.0013","13.3091","0.0016","76.209","0.01","88.157","0.009","74.094","0.009","1187.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-(diethoxyphosphoryl)isoxazole-3-carboxylic acid","","- C8 H12 N O6 P -","- C8 H12 N O6 P -","- C32 H48 N4 O24 P4 -","4","2","","Chalyk, Bohdan A.; Sosedko, Alona S.; Volochnyuk, Dmitriy M.; Tolmachev, Andrey A.; Gavrilenko, Konstantin S.; Liashuk, Oleksandr S.; Grygorenko, Oleksandr O.","Regioselective synthesis of isoxazole and 1,2,4-oxadiazole-derived phosphonates via [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2018","16","47","9152","9164","10.1039/c8ob02257g","","","0.71073","MoKα","","0.1456","0.0581","","","0.1181","0.1483","","","","","","0.879","","","","has coordinates,has disorder","230761","2020-10-21","18:00:00",""
"7156468","6.8559","0.0006","13.8455","0.0012","12.3109","0.0011","90","","97.553","0.003","90","","1158.45","0.18","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C48 H48 Br4 N4 O8 -","4","1","","Huang, Songhai; Niu, Pengfei; Su, Yingpeng; Hu, Dongcheng; Huo, Congde","Tandem radical cyclization of N-methacryloyl benzamides with CBr<sub>4</sub> to construct brominated isoquinolinediones.","Organic & biomolecular chemistry","2018","16","41","7748","7752","10.1039/c8ob01964a","","","0.71073","MoKα","","0.0715","0.0573","","","0.134","0.1412","","","","","","1.059","","","","has coordinates","230627","2020-10-21","18:00:00",""
"7156469","13.3657","0.0005","10.039","0.0003","15.8436","0.0005","90","","97.407","0.003","90","","2108.13","0.12","162","30","162","30","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 O4 -","- C27 H20 N2 O4 -","- C108 H80 N8 O16 -","4","1","","Li, Fen; Li, Xiaohui; Zhang, Xin","Dynamic Diels-Alder reactions of maleimide-furan amphiphiles and their fluorescence ON/OFF behaviours.","Organic & biomolecular chemistry","2018","16","42","7871","7877","10.1039/c8ob01944d","","","0.71073","MoKα","","0.0672","0.0497","","","0.1138","0.1256","","","","","","1.043","","","","has coordinates","230679","2020-10-21","18:00:00",""
"7156470","9.6173","0.001","12.7178","0.001","11.2532","0.001","90","","95.476","0.01","90","","1370.1","0.2","295.05","0.1","295.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","","0.71073","MoKα","","0.0953","0.0608","","","0.1625","0.1982","","","","","","1.041","","","","has coordinates","230681","2020-10-21","18:00:00",""
"7156471","22.0489","0.0005","15.0516","0.0003","18.1612","0.0004","90","","108.711","0.003","90","","5708.6","0.2","290.04","0.1","290.04","0.1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C18 H17 N O -","- C18 H17 N O -","- C288 H272 N16 O16 -","16","2","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","x-ray","1.54184","CuKα","","0.0506","0.0416","","","0.1075","0.1155","","","","","","1.034","","","","has coordinates","230681","2020-10-21","18:00:00",""
"7156472","9.2569","0.0018","15.608","0.002","10.8924","0.0018","90","","105.432","0.019","90","","1517","0.5","232","6","232","6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","","0.71073","MoKα","","0.1253","0.0812","","","0.1884","0.2195","","","","","","1.106","","","","has coordinates","230681","2020-10-21","18:00:00",""
"7156473","8.4795","0.0003","11.3762","0.0004","16.221","0.0005","90","","92.399","0.003","90","","1563.38","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br N O -","- C18 H16 Br N O -","- C72 H64 Br4 N4 O4 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","","1.54184","CuKα","","0.0518","0.043","","","0.1103","0.1183","","","","","","1.059","","","","has coordinates","230681","2020-10-21","18:00:00",""
"7156474","6.2318","0.0001","19.0611","0.0003","30.5102","0.0004","90","","95.174","0.001","90","","3609.39","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl O -","- C23 H17 Cl O -","- C184 H136 Cl8 O8 -","8","2","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.057","0.0525","","","0.153","0.1576","","","","","","1.08","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156475","30.335","0.006","5.7303","0.001","7.396","0.0018","90","","92.47","0.02","90","","1284.4","0.5","100","3","100","3","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C68 H52 F4 O8 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.1187","0.0982","","","0.2545","0.2959","","","","","","1.032","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156476","6.20717","0.00015","38.6061","0.0011","14.5881","0.0003","90","","99.406","0.002","90","","3448.81","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F O -","- C23 H17 F O -","- C184 H136 F8 O8 -","8","2","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0472","0.0418","","","0.1103","0.1144","","","","","","1.073","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156477","8.47709","0.00019","19.3161","0.0004","10.6412","0.0002","90","","96.21","0.002","90","","1732.21","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F O -","- C23 H17 F O -","- C92 H68 F4 O4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","","0.71073","MoKα","","0.0477","0.0399","","","0.0972","0.1018","","","","","","1.032","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156478","7.6982","0.0005","12.0382","0.0007","17.5134","0.0012","90","","90","","90","","1623.01","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H16 O S -","- C21 H16 O S -","- C84 H64 O4 S4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0566","0.0508","","","0.1173","0.1205","","","","","","1.042","","","","has coordinates,has disorder","230687","2020-10-21","18:00:00",""
"7156479","7.7514","0.0001","12.0257","0.0002","17.7094","0.0003","90","","90","","90","","1650.8","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0313","0.0305","","","0.0747","0.0756","","","","","","1.06","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156480","12.8458","0.0005","5.3427","0.0002","24.6144","0.001","90","","101.767","0.003","90","","1653.82","0.11","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2h","N-Phenyl-N'-propyl-6-phenyl-2-iminotetrahydro-1,3-thiazin-4-one","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","1.54178","","","0.0696","0.0495","","","0.1324","0.1416","","","","","","1.007","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156481","13.0104","0.0007","5.4301","0.0003","24.2997","0.0015","90","","101.772","0.004","90","","1680.61","0.17","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2i","N-Phenyl-N'-isopropyl-6-phenyl-2-iminotetrahydro-1,3-thiazin-4-one","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","1.54178","CuKα","","0.0546","0.0469","","","0.1317","0.1377","","","","","","1.055","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156482","34.665","0.004","6.9265","0.0009","14.4146","0.0018","90","","113.137","0.001","90","","3182.7","0.7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4g","N-Phenyl-N'-ethyl-5-benzyl-2-iminothiazolidin-4-one","","- C18 H18 N2 O S -","- C18 H18 N2 O S -","- C144 H144 N16 O8 S8 -","8","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.038","0.031","","","0.0789","0.0871","","","","","","1.042","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156483","8.7745","0.0014","9.4352","0.0016","20.409","0.003","93.504","0.002","97.479","0.002","90.918","0.002","1671.6","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","5c","5-Benzyl-5-hydroxy-1,3-diisopropyl-2-thioxoimidazolidin-4-one","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C64 H88 N8 O8 S4 -","4","2","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0851","0.0538","","","0.1302","0.1602","","","","","","0.999","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156484","12.413","0.0015","17.816","0.002","7.9085","0.001","90","","106.841","0.002","90","","1674","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3i","5-Benzyl-3-isopropyl-1-phenyl-2-thioxoimidazolidin-4-one","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0924","0.0512","","","0.117","0.1447","","","","","","0.929","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156485","8.887","0.002","9.348","0.002","12.182","0.003","80.025","0.003","72.125","0.003","88.273","0.003","948.3","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","3j","N',5-Dibenzyl-N-phenyl-2-thiohydantoin","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C46 H40 N4 O2 S2 -","2","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0429","0.0365","","","0.0914","0.0954","","","","","","1.065","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156486","13.613","0.002","5.3251","0.0009","26.026","0.004","90","","95.958","0.003","90","","1876.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2j","N-Phenyl-N'-benzyl-6-phenyl-2-iminotetrahydro-1,3-thiazin-4-one","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C92 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0974","0.0521","","","0.1235","0.1597","","","","","","0.966","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156487","11.016","0.0004","11.9919","0.0004","13.0752","0.0005","89.518","0.001","75.55","0.001","80.31","0.001","1647.74","0.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","phenylethynyl trimethylsilyl indol","1-(phenylethynyl)2-(trimethylsilyl)-1H-indol","","- C38 H38 N2 Si2 -","- C38 H38 N2 Si2 -","- C76 H76 N4 Si4 -","2","1","","Prochnow, Thaís; Maroneze, Adriano; Back, Davi F.; Jardim, Natalia S.; Nogueira, Cristina W.; Zeni, Gilson","Synthesis and anticholinesterase activity of 2-substituted-N-alkynylindoles.","Organic & biomolecular chemistry","2018","16","42","7926","7934","10.1039/c8ob02165a","","","0.71073","MoKα","","0.0435","0.0355","","","0.0903","0.0946","","","","","","1.051","","","","has coordinates","230682","2020-10-21","18:00:00",""
"7156488","11.7077","0.0018","9.7297","0.0013","18.751","0.002","90","","116.691","0.008","90","","1908.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Br O -","- C24 H21 Br O -","- C96 H84 Br4 O4 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum","An unexpected thermal-ring-rearrangement of benzochromenes to inden-3-yl-naphthols with pTsOH.","Organic & biomolecular chemistry","2018","16","42","7920","7925","10.1039/c8ob02264j","","","0.71073","MoKα","","0.0748","0.043","","","0.0904","0.1034","","","","","","1.03","","","","has coordinates","230683","2020-10-21","18:00:00",""
"7156489","12.928","0.003","16.007","0.004","8.3586","0.0016","90","","94.097","0.007","90","","1725.3","0.7","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Br O -","- C21 H17 Br O -","- C84 H68 Br4 O4 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum","An unexpected thermal-ring-rearrangement of benzochromenes to inden-3-yl-naphthols with pTsOH.","Organic & biomolecular chemistry","2018","16","42","7920","7925","10.1039/c8ob02264j","","","0.71073","MoKα","","0.0972","0.0444","","","0.0916","0.1049","","","","","","1.034","","","","has coordinates","230683","2020-10-21","18:00:00",""
"7156490","7.942","0.004","16.844","0.01","17.488","0.011","90","","90","","90","","2339","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-benzoyl-3-(dibenzo[b,d]thophen-4-yl)-8a-methyl-3,4,4a,5-tetrahydro-2H chromen-6(8a H)-one","","- C29 H24 O3 S -","- C29 H24 O3 S -","- C116 H96 O12 S4 -","4","1","","Jadhav, Sandip B.; Thopate, Satish B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Rh-Catalyzed diastereoselective desymmetrization of enone tethered-cyclohexadienones via tandem arylative cyclization.","Organic & biomolecular chemistry","2019","17","7","1937","1946","10.1039/c8ob02284d","","","0.71073","MoKα","","0.1013","0.0529","","","0.123","0.1498","","","","","","0.922","","","","has coordinates,has disorder","225212","2020-10-21","18:00:00",""
"7156491","10.994","0.0002","17.4175","0.0004","19.4407","0.0004","90","","90","","90","","3722.66","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 O7 -","- C40 H62 O7 -","- C160 H248 O28 -","4","1","","Guo, Yi; Zhang, Na; Sun, Weiguang; Duan, Xueyan; Zhang, Qing; Zhou, Qun; Chen, Chunmei; Zhu, Hucheng; Luo, Zengwei; Liu, Junjun; Li, Xiao-Nian; Xue, Yongbo; Zhang, Yonghui","Bioactive polycyclic polyprenylated acylphloroglucinols from Hypericum perforatum.","Organic & biomolecular chemistry","2018","16","43","8130","8143","10.1039/c8ob02067a","","","1.54178","CuKα","","0.0423","0.042","","","0.1099","0.1102","","","","","","1.059","","","","has coordinates","230665","2020-10-21","18:00:00",""
"7156492","11.7774","0.0002","22.0334","0.0004","14.1047","0.0003","90","","104.437","0.001","90","","3544.54","0.12","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N5 -","- C22 H17 N5 -","- C176 H136 N40 -","8","2","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0469","0.0352","","","0.0786","0.0844","","","","","","1.044","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156493","9.8081","0.0002","15.076","0.0003","26.6668","0.0005","90","","90","","90","","3943.14","0.13","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H16 F3 N5 -","- C23 H16 F3 N5 -","- C184 H128 F24 N40 -","8","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0899","0.0641","","","0.1573","0.173","","","","","","1.057","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156494","8.1","0.0002","24.9541","0.0007","9.6074","0.0003","90","","97.478","0.002","90","","1925.41","0.09","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N5 O -","- C23 H19 N5 O -","- C92 H76 N20 O4 -","4","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.103","0.0695","","","0.1672","0.1872","","","","","","1.069","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156495","10.0604","0.0002","14.9961","0.0003","25.8051","0.0006","90","","90","","90","","3893.13","0.14","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cl2 N6 -","- C21 H16 Cl2 N6 -","- C168 H128 Cl16 N48 -","8","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0362","0.0307","","","0.0757","0.079","","","","","","1.026","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156496","8.3507","0.0002","22.0757","0.0006","10.0712","0.0003","90","","113.691","0.0006","90","","1700.14","0.08","100","2","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H15 N5 -","- C21 H15 N5 -","- C84 H60 N20 -","4","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0246","0.0242","","","0.061","0.0612","","","","","","1.055","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156497","5.2634","0.0005","12.909","0.002","14.964","0.002","73.896","0.014","89.385","0.01","80.113","0.011","961.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C42 H42 N2 O8 S2 -","2","1","","Dahiya, Anjali; Ali, Wajid; Alam, Tipu; Patel, Bhisma K.","A cascade synthesis of S-allyl benzoylcarbamothioates via Mumm-type rearrangement.","Organic & biomolecular chemistry","2018","16","42","7787","7791","10.1039/c8ob02293c","","","0.71073","MoKα","","0.1253","0.0786","","","0.143","0.196","","","","","","1.134","","","","has coordinates","230678","2020-10-21","18:00:00",""
"7156498","20.6903","0.0003","5.75339","0.00009","23.2601","0.0003","90","","110.085","0.002","90","","2600.48","0.07","293","2","293","2","","","","","","","","4","I 1 2 1","I 2y","5","","Boc-(S)-(αMe)Aze-(S)-Ala-(S)-(αMe)Aze-(S)-Ala-OMe","","- C22 H36 N4 O7 -","- C22 H36 N4 O7 -","- C88 H144 N16 O28 -","4","1","","Drouillat, Bruno; Peggion, Cristina; Biondi, Barbara; Wright, Karen; Couty, François; Crisma, Marco; Formaggio, Fernando; Toniolo, Claudio","A novel peptide conformation: the γ-bend ribbon.","Organic & biomolecular chemistry","2018","16","42","7947","7958","10.1039/c8ob02279h","","","1.54178","CuKα","","0.0401","0.0387","","","0.1166","0.1187","","","","","","1.057","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7156499","14.8911","0.0018","14.8911","0.0018","14.4517","0.0016","90","","90","","90","","3204.6","0.7","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C81 H45 Br4 N5 Zn -","- C81 H45 Br4 N5 Zn -","- C162 H90 Br8 N10 Zn2 -","2","0.25","","Pijeat, Joffrey; Dappe, Yannick J.; Thuéry, Pierre; Campidelli, Stéphane","Synthesis and Suzuki-Miyaura cross coupling reactions for post-synthetic modification of a tetrabromo-anthracenyl porphyrin.","Organic & biomolecular chemistry","2018","16","43","8106","8114","10.1039/c8ob02150c","","","0.71073","MoKα","","0.0851","0.0643","","","0.1541","0.1619","","","","","","1.085","","","","has coordinates","230663","2020-10-21","18:00:00",""
"7156500","6.6889","0.0007","20.404","0.002","6.7943","0.0007","90","","102.245","0.009","90","","906.19","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H15 N3 S -","- C7 H15 N3 S -","- C28 H60 N12 S4 -","4","2","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0899","0.0707","","","0.1534","0.1693","","","","","","1.097","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156501","22.7327","0.001","9.7061","0.0004","10.6589","0.0004","90","","105.34","0.003","90","","2268.05","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H19 N3 S -","- C10 H19 N3 S -","- C80 H152 N24 S8 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0577","0.0366","","","0.0839","0.0935","","","","","","1.028","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156502","8.6412","0.0018","10.61","0.002","12.608","0.003","90","","106.492","0.009","90","","1108.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C44 H76 N12 S4 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.1555","0.091","","","0.2269","0.259","","","","","","1.085","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156503","5.6776","0.0005","8.9813","0.0009","20.467","0.002","90","","91.743","0.005","90","","1043.18","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N3 S -","- C9 H17 N3 S -","- C36 H68 N12 S4 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0773","0.0481","","","0.0949","0.1054","","","","","","1.043","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156504","7.2701","0.0008","12.9061","0.0011","18.374","0.002","90","","90","","90","","1724","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H15 N3 O -","- C7 H15 N3 O -","- C56 H120 N24 O8 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0826","0.056","","","0.1296","0.1489","","","","","","1.11","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156505","17.298","0.002","5.9353","0.0008","33.483","0.004","90","","90","","90","","3437.7","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 F3 N2 O3 -","- C18 H15 F3 N2 O3 -","- C144 H120 F24 N16 O24 -","8","1","","Sun, Shaofa; Chen, Rongxing; Wang, Gangqiang; Wang, Jian","Sodium carbonate promoted [3 + 2] annulation of α-halohydroxamates and isocyanates.","Organic & biomolecular chemistry","2018","16","43","8011","8014","10.1039/c8ob02321b","","","0.71073","MoKα","","0.0691","0.0529","","","0.1351","0.1451","","","","","","1.038","","","","has coordinates,has disorder","230662","2020-10-21","18:00:00",""
"7156506","8.0308","0.0012","7.8229","0.001","12.8172","0.0018","90","","90","","90","","805.23","0.19","174","2","174","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 H6 N8 O2 -","- C6 H6 N8 O2 -","- C24 H24 N32 O8 -","4","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.","Organic & biomolecular chemistry","2018","16","43","8034","8037","10.1039/c8ob02155d","","","0.71073","MoKα","","0.0915","0.0485","","","0.0948","0.1114","","","","","","1.043","","","","has coordinates","230664","2020-10-21","18:00:00",""
"7156507","5.7793","0.0006","11.6585","0.0015","5.7805","0.0006","90","","100.28","0.004","90","","383.23","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H2 N8 O2 -","- C6 H2 N8 O2 -","- C12 H4 N16 O4 -","2","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.","Organic & biomolecular chemistry","2018","16","43","8034","8037","10.1039/c8ob02155d","","","0.71073","MoKα","","0.0838","0.0448","","","0.0844","0.0988","","","","","","1.056","","","","has coordinates","230664","2020-10-21","18:00:00",""
"7156508","19.2788","0.0012","5.4732","0.0004","19.4681","0.0013","90","","111.922","0.002","90","","1905.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3.33 N4 O3.67 -","- C4 H3.33333 N4 O3.66667 -","- C48 H40 N48 O44 -","12","3","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.","Organic & biomolecular chemistry","2018","16","43","8034","8037","10.1039/c8ob02155d","","","0.71073","MoKα","","0.0869","0.0468","","","0.0862","0.0985","","","","","","1.054","","","","has coordinates,has disorder","230664","2020-10-21","18:00:00",""
"7156509","14.2864","0.0013","5.3688","0.0005","19.4632","0.0016","90","","108.952","0.003","90","","1411.9","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Liu, Kun; Shang, Xinye; Cheng, Yuyu; Chang, Xiaoyong; Li, Pengfei; Li, Wenjun","Regioselective [3 + 2]-annulation of hydrazonyl chlorides with 1,3-dicarbonyl compounds for assembling of polysubstituted pyrazoles.","Organic & biomolecular chemistry","2018","16","42","7811","7814","10.1039/c8ob02352b","","x-ray","0.71073","MoKα","","0.0526","0.0422","","","0.1004","0.1067","","","","","","1.043","","","","has coordinates","230686","2020-10-21","18:00:00",""
"7156510","10.0847","0.0003","12.3157","0.0004","23.0056","0.0007","90","","90","","90","","2857.3","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 F6 N4 O4 S -","- C28 H30 F6 N4 O4 S -","- C112 H120 F24 N16 O16 S4 -","4","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst.","Organic & biomolecular chemistry","2018","16","41","7574","7578","10.1039/c8ob02248h","","x-ray","0.71073","MoKα","","0.0517","0.0458","","","0.1113","0.1144","","","","","","1.103","","","","has coordinates","230628","2020-10-21","18:00:00",""
"7156511","9.3038","0.0003","9.3038","0.0003","33.9408","0.0013","90","","90","","120","","2544.33","0.15","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C19 H17 N O6 -","- C19 H17 N O6 -","- C114 H102 N6 O36 -","6","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst.","Organic & biomolecular chemistry","2018","16","41","7574","7578","10.1039/c8ob02248h","","x-ray","1.54178","CuKα","","0.0256","0.0256","","","0.0661","0.0661","","","","","","1.06","","","","has coordinates","230628","2020-10-21","18:00:00",""
"7156512","9.8247","0.0005","11.526","0.0006","11.6543","0.0005","86.407","0.004","74.525","0.004","72.819","0.005","1214.94","0.11","266","10","266","10","","","","","","","","6","P -1","-P 1","2","","","","- C29 H20 Br N O4 S -","- C29 H20 Br N O4 S -","- C58 H40 Br2 N2 O8 S2 -","2","1","","Tang, Xue; Zhu, Hong-Ping; Zhou, Jin; Chen, Yang; Pan, Xiao-Li; Guo, Li; Li, Jun-Long; Peng, Cheng; Huang, Wei","Highly diastereoselective synthesis of cyclopropane-fused spiro-pseudoindoxyl derivatives through [2 + 1] annulation of 2-ylideneoxindoles and sulfonium bromides.","Organic & biomolecular chemistry","2018","16","43","8169","8174","10.1039/c8ob02034e","","x-ray","1.54184","CuKα","","0.0612","0.0578","","","0.1459","0.1505","","","","","","1.086","","","","has coordinates","230666","2020-10-21","18:00:00",""
"7156513","9.2784","0.0004","14.1722","0.0006","9.8379","0.0004","90","","114.077","0.001","90","","1181.09","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2,2-trifluoro-1-[1-phenyl-3-(2-phenylethynyl)-3-(trifluoromethyl)-3H,4aH-[1,3]oxazino[3,2-<i>a</i>]quinolin-2-yl]-1-ethanone","","- C29 H17 F6 N O2 -","- C29 H17 F6 N O2 -","- C58 H34 F12 N2 O4 -","2","1","","Belyaeva, K. V.; Nikitina, L. P.; Afonin, A. V.; Vashchenko, A. V.; Muzalevskiy, V. M.; Nenajdenko, V. G.; Trofimov, B. A.","Catalyst-free 1 : 2 annulation of quinolines with trifluoroacetylacetylenes: an access to functionalized oxazinoquinolines.","Organic & biomolecular chemistry","2018","16","43","8038","8041","10.1039/c8ob02379d","","","0.71073","MoKα","","0.051","0.0366","","","0.0701","0.0746","","","","","","1.023","","","","has coordinates","230661","2020-10-21","18:00:00",""
"7156514","11.6754","0.0005","11.052","0.0004","11.6067","0.0004","90","","108.497","0.001","90","","1420.32","0.09","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N -","- C20 H13 N -","- C80 H52 N4 -","4","1","","Mylavarapu, Saketh; Yadav, Mamta; Bhanuchandra, M.","KHMDS mediated synthesis of 9-arylfluorenes from dibenzothiophene dioxides and arylacetonitriles by tandem S<sub>N</sub>Ar-decyanation-based arylation.","Organic & biomolecular chemistry","2018","16","42","7815","7819","10.1039/c8ob02355g","","","0.71073","MoKα","","0.0563","0.0477","","","0.1346","0.1437","","","","","","1.043","","","","has coordinates","230676","2020-10-21","18:00:00",""
"7156515","9.1358","0.0003","18.8753","0.0007","20.9542","0.0007","90","","90","","90","","3613.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C176 H128 O24 S8 -","8","1","","Zhou, Bang; Chen, Wenqi; Yang, Yuzhong; Yang, Yuan; Deng, Guobo; Liang, Yun","A radical cyclization cascade of 2-alkynylbenzonitriles with sodium arylsulfinates.","Organic & biomolecular chemistry","2018","16","42","7959","7963","10.1039/c8ob02288g","","","0.71073","MoKα","","0.0702","0.061","","","0.1238","0.1284","","","","","","1.211","","","","has coordinates","230680","2020-10-21","18:00:00",""
"7156516","13.4246","0.0012","7.175","0.0007","17.1559","0.0014","90","","97.007","0.003","90","","1640.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Wang, Qiumei; Yang, Chao; Jiang, Chao","Visible-light-promoted radical acylation/cyclization of alkynoates with aldehydes for the synthesis of 3-acylcoumarins.","Organic & biomolecular chemistry","2018","16","43","8196","8204","10.1039/c8ob02232a","","","0.71073","MoKα","","0.1144","0.0594","","","0.1469","0.1762","","","","","","0.944","","","","has coordinates","230667","2020-10-21","18:00:00",""
"7156517","11.942","0.0008","12.7737","0.0009","12.9601","0.0008","91.778","0.003","102.372","0.003","102.443","0.003","1879.5","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H36 N8 -","- C50 H36 N8 -","- C100 H72 N16 -","2","1","","Deka, Bhaskar; Baruah, Pranjal K.; Deb, Mohit L.","Multi-component synthesis of 3-substituted indoles and their cyclisation to α-carbolines via I<sub>2</sub>-promoted intramolecular C2 oxidative amination/aromatisation at room temperature.","Organic & biomolecular chemistry","2018","16","42","7806","7810","10.1039/c8ob02362j","","","0.71073","MoKα","","0.0761","0.0523","","","0.1369","0.1617","","","","","","1.069","","","","has coordinates","230677","2020-10-21","18:00:00",""
"7156518","7.7966","0.0006","14.3031","0.0012","18.1018","0.0015","90","","90","","90","","2018.6","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Br N4 -","- C25 H17 Br N4 -","- C100 H68 Br4 N16 -","4","1","","Deka, Bhaskar; Baruah, Pranjal K.; Deb, Mohit L.","Multi-component synthesis of 3-substituted indoles and their cyclisation to α-carbolines via I<sub>2</sub>-promoted intramolecular C2 oxidative amination/aromatisation at room temperature.","Organic & biomolecular chemistry","2018","16","42","7806","7810","10.1039/c8ob02362j","","","0.71073","MoKα","","0.0668","0.0433","","","0.1075","0.1284","","","","","","0.999","","","","has coordinates","230677","2020-10-21","18:00:00",""
"7156519","11.2746","0.0001","16.1738","0.0002","18.2342","0.0002","90","","90","","90","","3325.06","0.06","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Baefrutone A","bf-54","","- C35 H48 O7 -","- C35 H48 O7 -","- C140 H192 O28 -","4","1","","Hou, Ji-Qin; Wang, Bao-Lin; Han, Chao; Xu, Jian; Wang, Zhe; He, Qi-Wei; Zhang, Pei-Lin; Zhao, Shu-Min; Pei, Xin; Wang, Hao","Atropisomeric meroterpenoids with rare triketone-phloroglucinol-terpene hybrids from Baeckea frutescens.","Organic & biomolecular chemistry","2018","16","44","8513","8524","10.1039/c8ob02433b","","","1.54184","CuKα","","0.0398","0.0374","","","0.1075","0.1104","","","","","","1.051","","","","has coordinates","230609","2020-10-21","18:00:00",""
"7156520","10.7346","0.0013","11.0951","0.0009","13.403","0.002","98.488","0.009","113.22","0.013","108.845","0.009","1317.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cl N3 O Rh -","- C27 H33 Cl N3 O Rh -","- C54 H66 Cl2 N6 O2 Rh2 -","2","1","","Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi","Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.","Organic & biomolecular chemistry","2018","16","43","8191","8195","10.1039/c8ob01673a","","","0.71073","MoKα","","0.0659","0.0445","","","0.0864","0.0995","","","","","","1.029","","","","has coordinates","230659","2020-10-21","18:00:00",""
"7156521","13.7264","0.0008","8.0434","0.0004","22.4695","0.0013","90","","97.451","0.006","90","","2459.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N3 O8 -","- C26 H27 N3 O8 -","- C104 H108 N12 O32 -","4","1","","Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi","Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.","Organic & biomolecular chemistry","2018","16","43","8191","8195","10.1039/c8ob01673a","","","0.71073","MoKα","","0.0634","0.0471","","","0.1145","0.1281","","","","","","1.024","","","","has coordinates","230659","2020-10-21","18:00:00",""
"7156522","9.6158","0.0011","14.3878","0.0019","15.7308","0.0015","63.487","0.011","72.881","0.009","74.459","0.011","1837.3","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H45 N3 O6 -","- C39 H45 N3 O6 -","- C78 H90 N6 O12 -","2","1","","Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi","Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.","Organic & biomolecular chemistry","2018","16","43","8191","8195","10.1039/c8ob01673a","","","0.71073","MoKα","","0.225","0.1104","","","0.2908","0.4014","","","","","","1.019","","","","has coordinates","230659","2020-10-21","18:00:00",""
"7156523","11.6524","0.0004","15.998","0.0006","18.6279","0.0008","90","","90","","90","","3472.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F3 I N O -","- C16 H19 F3 I N O -","- C128 H152 F24 I8 N8 O8 -","8","2","","Shi, Yingkun; Xiao, Hongqing; Xu, Xiu-Hua; Huang, Yangen","Transition metal free decarboxylative fluoroalkylation of N-acrylamides with 3,3,3-trifluoro-2,2-dimethylpropanoic acid (TFDMPA).","Organic & biomolecular chemistry","2018","16","44","8472","8476","10.1039/c8ob02457j","","","0.71073","MoKα","","0.0392","0.0312","","","0.0673","0.0718","","","","","","1.019","","","","has coordinates","230601","2020-10-21","18:00:00",""
"7156524","4.9268","0.0004","7.7","0.0007","12.5316","0.001","89.531","0.007","82.298","0.007","77.518","0.007","459.87","0.07","143","2","143","2","","","","","","","","5","P -1","-P 1","2","KH-86","","","- C8 H6 Cl2 O2 S -","- C8 H6 Cl2 O2 S -","- C16 H12 Cl4 O4 S2 -","2","1","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0457","0.0361","","","0.0763","0.0828","","","","","","1.069","","","","has coordinates","225207","2020-10-21","18:00:00",""
"7156525","19.3829","0.0007","11.6584","0.0004","12.0827","0.0004","90","","127.88","0.001","90","","2155.08","0.13","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","KH-106","","","- C20 H33 B O2 S2 -","- C20 H33 B O2 S2 -","- C80 H132 B4 O8 S8 -","4","0.5","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0342","0.0282","","","0.0668","0.0719","","","","","","1.079","","","","has coordinates","225207","2020-10-21","18:00:00",""
"7156526","12.7042","0.0013","7.6415","0.0007","19.807","0.002","90","","102.369","0.004","90","","1878.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KH-85-Ic","","","- C21 H18 Cl2 O3 S -","- C21 H18 Cl2 O3 S -","- C84 H72 Cl8 O12 S4 -","4","1","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0586","0.0417","","","0.0859","0.0928","","","","","","1.152","","","","has coordinates","225207","2020-10-21","18:00:00",""
"7156527","16.0174","0.0011","15.9817","0.001","7.3482","0.0006","90","","90","","90","","1881","0.2","106","2","106","2","","","","","","","","5","P c a 21","P 2c -2ac","29","KH-114","","","- C21 H18 Cl2 O3 S -","- C21 H18 Cl2 O3 S -","- C84 H72 Cl8 O12 S4 -","4","1","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.041","0.0374","","","0.0814","0.0829","","","","","","1.156","","","","has coordinates","225207","2020-10-21","18:00:00",""
"7156528","9.3294","0.0002","21.9444","0.0006","10.2119","0.0003","90","","104.342","0.001","90","","2025.51","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KH-116-Z","","","- C21 H18 Cl2 O4 S -","- C21 H18 Cl2 O4 S -","- C84 H72 Cl8 O16 S4 -","4","1","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0603","0.0429","","","0.0972","0.1068","","","","","","1.037","","","","has coordinates","225207","2020-10-21","18:00:00",""
"7156529","12.7347","0.0014","14.3201","0.0015","22.21","0.002","90","","106.007","0.003","90","","3893.2","0.7","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KH-111","","","- C21 H18 Cl2 O4 S -","- C21 H18 Cl2 O4 S -","- C168 H144 Cl16 O32 S8 -","8","2","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0438","0.0339","","","0.0869","0.0932","","","","","","1.076","","","","has coordinates","225207","2020-10-21","18:00:00",""
"7156530","8.5002","0.0007","9.3931","0.0008","13.1098","0.0011","83.094","0.002","80.207","0.002","80.262","0.002","1012.1","0.15","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Cl N2 O3 -","- C24 H17 Cl N2 O3 -","- C48 H34 Cl2 N4 O6 -","2","1","","Mahesha, Chikkagundagal K.; Agarwal, Devesh S.; Karishma, Pidiyara; Markad, Datta; Mandal, Sanjay K.; Sakhuja, Rajeev","Iridium-catalyzed [4 + 2] annulation of 1-arylindazolones with α-diazo carbonyl compounds: access to indazolone-fused cinnolines.","Organic & biomolecular chemistry","2018","16","44","8585","8595","10.1039/c8ob01681j","","","0.71073","MoKα","","0.0509","0.04","","","0.1147","0.1316","","","","","","1.085","","","","has coordinates","230603","2020-10-21","18:00:00",""
"7156531","10.4021","0.0013","11.1622","0.0014","18.137","0.002","73.826","0.002","89.528","0.002","62.611","0.001","1778","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","2","","Kawamoto, Yuichiro; Ozone, Daiki; Kobayashi, Toyoharu; Ito, Hisanaka","Total synthesis of (±)-chondrosterin I using a desymmetric aldol reaction.","Organic & biomolecular chemistry","2018","16","44","8477","8480","10.1039/c8ob02557f","","","0.71073","MoKα","","0.0571","0.045","","","0.1046","0.1169","","","","","","1.068","","","","has coordinates","230605","2020-10-21","18:00:00",""
"7156532","13.042","","5.681","","14.602","","90","","98.86","","90","","1068.98","","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C13 H9 N3 O -","- C13 H9 N3 O -","- C52 H36 N12 O4 -","4","1","","Chen, Zhengwang; Liang, Pei; Liu, Botao; Luo, Haiqing; Zheng, Jing; Wen, Xiaowei; Liu, Tanggao; Ye, Min","A facile tandem decyanation/cyanation reaction of α-iminonitriles toward cyano-substituted amides.","Organic & biomolecular chemistry","2018","16","44","8481","8485","10.1039/c8ob02186d","","","0.71073","MoKα","","0.1469","0.1114","","","0.2549","0.2965","","","","","","1.102","","","","has coordinates","230607","2020-10-21","18:00:00",""
"7156533","20.052","0.004","6.3001","0.0012","48.442","0.009","90","","96.918","0.009","90","","6075","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 N O Si -","- C36 H35 N O Si -","- C288 H280 N8 O8 Si8 -","8","1","","Xu, Murong; Zheng, Zhong; Wang, Mengdan; Kong, Lingkai; Ao, Yujuan; Li, Yanzhong","Cobalt-catalyzed regioselective syntheses of indeno[2,1-c]pyridines from nitriles and diynes bearing propargyl fragments.","Organic & biomolecular chemistry","2018","16","45","8761","8768","10.1039/c8ob02419g","","","0.71073","MoKα","","0.141","0.089","","","0.1895","0.2157","","","","","","1.117","","","","has coordinates","230853","2020-10-21","18:00:00",""
"7156534","9.8834","0.0003","10.2262","0.0003","13.9008","0.0004","90","","90","","90","","1404.95","0.07","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","1.54178","CuKα","","0.0394","0.038","","","0.1003","0.1017","","","","","","1.066","","","","has coordinates,has disorder","230606","2020-10-21","18:00:00",""
"7156535","7.3868","0.0004","17.0662","0.0009","23.1039","0.0011","90","","90","","90","","2912.6","0.3","253","8","253","8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","2","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","0.71073","MoKα","","0.1129","0.0657","","","0.1187","0.1497","","","","","","1.057","","","","has coordinates,has disorder","230606","2020-10-21","18:00:00",""
"7156536","7.3514","0.0003","7.7395","0.0003","16.0309","0.0006","90","","94.117","0.004","90","","909.74","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C42 H54 N2 O8 -","2","1","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","1.54184","CuKα","","0.0332","0.0327","","","0.0855","0.086","","","","","","1.072","","","","has coordinates","230606","2020-10-21","18:00:00",""
"7156537","12.2631","0.0004","13.767","0.0004","19.0767","0.0006","71.606","0.002","87.408","0.003","63.944","0.001","2728.97","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H45 Cl6 N5 O2 P2 Pd -","- C53 H45 Cl6 N5 O2 P2 Pd -","- C106 H90 Cl12 N10 O4 P4 Pd2 -","2","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.1193","0.0548","","","0.1275","0.1648","","","","","","1.013","","","","has coordinates,has disorder","230608","2020-10-21","18:00:00",""
"7156538","8.7446","0.0004","11.529","0.0007","15.2091","0.0008","90","","105.14","0.003","90","","1480.11","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N5 O -","- C17 H15 N5 O -","- C68 H60 N20 O4 -","4","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.0901","0.0478","","","0.1156","0.1397","","","","","","1.055","","","","has coordinates","230608","2020-10-21","18:00:00",""
"7156539","14.0025","0.0017","13.5967","0.0018","15.1462","0.0014","90","","116.114","0.005","90","","2589.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N10 Pd -","- C26 H20 N10 Pd -","- C104 H80 N40 Pd4 -","4","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.1008","0.048","","","0.0889","0.1127","","","","","","1","","","","has coordinates","230608","2020-10-21","18:00:00",""
"7156540","6.7614","0.0003","8.5686","0.0004","11.9894","0.0004","77.8244","0.0014","77.638","0.002","85.281","0.002","662.75","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 F N5 O -","- C15 H10 F N5 O -","- C30 H20 F2 N10 O2 -","2","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.0557","0.0373","","","0.0873","0.1018","","","","","","1.049","","","","has coordinates","230608","2020-10-21","18:00:00",""
"7156541","5.8336","0.0006","11.4947","0.0015","14.982","0.002","77.575","0.005","81.412","0.005","77.375","0.004","951.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin","Oxidative cross-dehydrogenative [2 + 3] annulation of α-amino ketones with α-keto esters: concise synthesis of clausenamide analogues.","Organic & biomolecular chemistry","2019","17","7","1740","1743","10.1039/c8ob02369g","","","0.71073","MoKα","","0.085","0.0512","","","0.1273","0.151","","","","","","1.026","","","","has coordinates","225205","2020-10-21","18:00:00",""
"7156542","7.8748","0.0004","14.7543","0.0006","15.7507","0.0006","68.6045","0.0014","85.8107","0.0017","77.4717","0.0017","1663.3","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","2","","Li, Pinhua; Wang, Guan-Wu; Chen, Hao; Wang, Lei","Nickel-catalyzed regioselective arylation of aromatic amides with aryl iodides enabled by an N,O-bidentate directing group.","Organic & biomolecular chemistry","2018","16","45","8783","8790","10.1039/c8ob02237b","","","0.71073","MoKα","","0.1203","0.0899","","","0.2091","0.2241","","","","","","1.162","","","","has coordinates","230855","2020-10-21","18:00:00",""
"7156543","8.8265","0.0002","21.615","0.0004","30.7813","0.0005","90","","90","","90","","5872.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C252 H384 O60 -","12","3","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","","1.54178","CuKα","","0.032","0.0319","","","0.082","0.0821","","","","","","1.054","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156544","6.3056","0.0002","17.1631","0.0006","17.9081","0.0007","90","","92.519","0.001","90","","1936.21","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","2","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","","1.54178","CuKα","","0.0716","0.0705","","","0.1996","0.2013","","","","","","1.089","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156545","6.856","","15.7693","0.0001","9.6944","0.0001","90","","101.609","0.001","90","","1026.66","0.013","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H36 O4 -","- C22 H36 O4 -","- C44 H72 O8 -","2","1","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","x-ray","1.54178","CuKα","","0.0279","0.0278","","","0.0735","0.0736","","","","","","1.105","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156546","9.0892","0.0001","9.9719","0.0001","17.8361","0.0001","90","","90","","90","","1616.6","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","x-ray","1.54178","CuKα","","0.0336","0.0331","","","0.0839","0.0842","","","","","","1.085","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156547","13.2298","0.0003","10.1625","0.0003","15.5329","0.0005","90","","98.015","0.002","90","","2067.96","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br N2 -","- C25 H23 Br N2 -","- C100 H92 Br4 N8 -","4","1","","Panwar, Rahul; Shally, ?; Shaw, Ranjay; Elagamy, Amr; Pratap, Ramendra","Chemoselective synthesis of m-teraryls through ring transformation of 2H-pyran-2-ones by 2-(1-arylethylidene)-malononitriles.","Organic & biomolecular chemistry","2018","16","46","8994","9002","10.1039/c8ob02370k","","","0.71073","MoKα","","0.0545","0.0421","","","0.1059","0.1131","","","","","","0.918","","","","has coordinates","230741","2020-10-21","18:00:00",""
"7156548","8.434","0.007","10.662","0.01","44.27","0.04","90","","90","","90","","3981","6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-(2-Fluorophenyl)-3-((6-methoxybenzo[d]thiazol-2-yl)amino)-1-phenyl propan-1-one","","- C46 H37 F2 N4 O4 S2 -","- C46 H37 F2 N4 O4 S2 -","- C184 H148 F8 N16 O16 S8 -","4","1","","Li, Weihua; Wang, Yifeng; Xu, Danqian","Asymmetric synthesis of β-amino ketones by using cinchona alkaloid-based chiral phase transfer catalysts.","Organic & biomolecular chemistry","2018","16","45","8704","8709","10.1039/c8ob02484g","","","0.71073","MoKα","","0.0618","0.0531","","","0.126","0.1309","","","","","","1.026","","","","has coordinates,has disorder","230856","2020-10-21","18:00:00",""
"7156549","25.4646","0.0015","16.7733","0.0009","10.4497","0.0008","90","","100.998","0.006","90","","4381.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H41 Cl3 N4 -","- C53 H41 Cl3 N4 -","- C212 H164 Cl12 N16 -","4","0.5","","Gao, Qinghe; Wang, Yakun; Wang, Qianqian; Zhu, Yanping; Liu, Zhaomin; Zhang, Jixia","I<sub>2</sub>-Triggered N-O cleavage of ketoxime acetates for the synthesis of 3-(4-pyridyl)indoles.","Organic & biomolecular chemistry","2018","16","46","9030","9037","10.1039/c8ob02230e","","","1.54178","CuKα","","0.09","0.0801","","","0.2265","0.2487","","","","","","1.071","","","","has coordinates,has disorder","230748","2020-10-21","18:00:00",""
"7156550","10.932","0.003","15.037","0.004","28.078","0.007","90","","90","","90","","4616","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H25 N O6 -","- C25 H25 N O6 -","- C200 H200 N8 O48 -","8","1","","Wang, Qiang; Zhang, Tao; Fan, Yunchang; Fan, Xuesen","Synthesis of functionalized cyclopentenes through allenic ketone-based multicomponent reactions.","Organic & biomolecular chemistry","2018","16","45","8854","8858","10.1039/c8ob02259c","","","0.71073","MoKα","","0.0906","0.0556","","","0.155","0.1794","","","","","","1.068","","","","has coordinates","230857","2020-10-21","18:00:00",""
"7156551","6.8817","0.001","9.377","0.0011","13.0597","0.0015","84.642","0.004","75.196","0.004","78.648","0.004","798","0.18","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C38 H36 N4 O6 -","2","1","","Xiao, Yan; Xiong, Hao; Sun, Song; Yu, Jintao; Cheng, Jiang","Rh(iii)-Catalyzed dual C-H functionalization of 3-(1H-indol-3-yl)-3-oxopropanenitriles with sulfoxonium ylides or diazo compounds toward polysubstituted carbazoles.","Organic & biomolecular chemistry","2018","16","45","8715","8718","10.1039/c8ob02145g","","","0.71073","MoKα","","0.1087","0.092","","","0.2248","0.2452","","","","","","1.061","","","","has coordinates","230854","2020-10-21","18:00:00",""
"7156552","15.1112","0.0004","15.5876","0.0005","31.4003","0.0009","90","","90","","90","","7396.3","0.4","150","2","150.02","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H68 Cl4 F12 N4 O8 S4 -","- C68 H68 Cl4 F12 N4 O8 S4 -","- C272 H272 Cl16 F48 N16 O32 S16 -","4","1","","Qin, Tian; Jiang, Quanbin; Ji, Jieying; Luo, Jie; Zhao, Xiaodan","Chiral selenide-catalyzed enantioselective synthesis of trifluoromethylthiolated 2,5-disubstituted oxazolines.","Organic & biomolecular chemistry","2019","17","7","1763","1766","10.1039/c8ob02575d","","x-ray","1.54184","CuKα","","0.0805","0.0566","","","0.1316","0.1466","","","","","","1.018","","","","has coordinates,has disorder","225206","2020-10-21","18:00:00",""
"7156553","10.4442","0.0004","14.3318","0.0004","16.2731","0.0005","90","","96.095","0.001","90","","2422.06","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 N2 O S -","- C30 H24 N2 O S -","- C120 H96 N8 O4 S4 -","4","1","","Sharma, Nitika; Peddinti, Rama Krishna","Experimental and theoretical investigations of regioselective functionalization of 3-hydroxy bisindoles with thiols.","Organic & biomolecular chemistry","2018","16","47","9259","9268","10.1039/c8ob02118j","","","0.71073","MoKα","","0.0669","0.0413","","","0.1347","0.163","","","","","","1.15","","","","has coordinates","230765","2020-10-21","18:00:00",""
"7156554","9.5099","0.0003","9.7883","0.0003","23.6429","0.0007","90","","90","","90","","2200.82","0.12","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Cl F N2 O3 S -","- C23 H20 Cl F N2 O3 S -","- C92 H80 Cl4 F4 N8 O12 S4 -","4","1","","Zheng, Bu-Quan; Chen, Ling-Yan; Zhao, Jian-Bo; Ji, Jian; Qiu, Zi-Bin; Ren, Xinfeng; Li, Ya","Organocatalytic asymmetric syntheses of 3-fluorooxindoles containing vicinal fluoroamine motifs.","Organic & biomolecular chemistry","2018","16","46","8989","8993","10.1039/c8ob01786g","","","0.71073","MoKα","","0.0482","0.0387","","","0.0834","0.0903","","","","","","1.064","","","","has coordinates","230749","2020-10-21","18:00:00",""
"7156555","12.761","0.002","5.429","0.001","27.325","0.001","90","","117.22","0.03","90","","1683.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Facile synthesis of fused polycyclic compounds via intramolecular oxidative cyclization/aromatization of β-tetralone or β-tetralone oximes.","Organic & biomolecular chemistry","2018","16","46","9003","9010","10.1039/c8ob02031k","","","0.71073","MoKα","","0.1317","0.0543","","","0.117","0.1327","","","","","","1.079","","","","has coordinates","230746","2020-10-21","18:00:00",""
"7156556","7.979","0.003","19.9763","0.0013","13.149","0.004","90","","90","","90","","2095.8","1","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H20 N2 O2 S -","- C26 H20 N2 O2 S -","- C104 H80 N8 O8 S4 -","4","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Facile synthesis of fused polycyclic compounds via intramolecular oxidative cyclization/aromatization of β-tetralone or β-tetralone oximes.","Organic & biomolecular chemistry","2018","16","46","9003","9010","10.1039/c8ob02031k","","","0.71073","MoKα","","0.122","0.0533","","","0.0967","0.1158","","","","","","0.967","","","","has coordinates","230746","2020-10-21","18:00:00",""
"7156557","11.4298","0.0006","14.3863","0.0008","15.3115","0.0008","90","","90","","90","","2517.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O9 -","- C27 H38 O9 -","- C108 H152 O36 -","4","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.0377","0.0376","","","0.1013","0.1014","","","","","","1.113","","","","has coordinates","230742","2020-10-21","18:00:00",""
"7156558","7.3751","0.0003","15.7593","0.0007","10.1577","0.0004","90","","90.466","0.001","90","","1180.55","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O9 -","- C26 H34 O9 -","- C52 H68 O18 -","2","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.034","0.0339","","","0.0825","0.0825","","","","","","3.155","","","","has coordinates","230742","2020-10-21","18:00:00",""
"7156559","7.8489","0.0001","7.8505","0.0001","11.6784","0.0002","74.58","","73.43","","87.86","","664.309","0.017","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H38 O10 -","- C29 H38 O10 -","- C29 H38 O10 -","1","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.0308","0.0307","","","0.0788","0.0788","","","","","","1.058","","","","has coordinates","230742","2020-10-21","18:00:00",""
"7156560","7.0433","0.0012","7.9515","0.0014","13.619","0.002","83.665","0.014","80.712","0.014","66.771","0.016","690.8","0.2","294.98","0.1","294.98","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin","Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.","Organic & biomolecular chemistry","2018","16","46","9038","9045","10.1039/c8ob02319k","","","0.71073","MoKα","","0.1289","0.0671","","","0.1455","0.1918","","","","","","1.031","","","","has coordinates","230747","2020-10-21","18:00:00",""
"7156561","8.2734","0.0002","12.6013","0.0004","10.9726","0.0004","90","","104.864","0.003","90","","1105.68","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin","Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.","Organic & biomolecular chemistry","2018","16","46","9038","9045","10.1039/c8ob02319k","","","1.54184","CuKα","","0.0461","0.0394","","","0.1117","0.1191","","","","","","1.066","","","","has coordinates","230747","2020-10-21","18:00:00",""
"7156562","10.44121","0.00016","11.19736","0.00018","11.7174","0.00018","90","","90","","90","","1369.93","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin","Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.","Organic & biomolecular chemistry","2018","16","46","9038","9045","10.1039/c8ob02319k","","x-ray","1.54184","CuKα","","0.0359","0.0352","","","0.0925","0.0935","","","","","","1.095","","","","has coordinates","230747","2020-10-21","18:00:00",""
"7156563","5.32172","0.00003","11.65514","0.00005","28.13606","0.00011","90","","90","","90","","1745.15","0.014","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O3 -","- C20 H20 Cl N O3 -","- C80 H80 Cl4 N4 O12 -","4","1","","Huang, Yi; Li, Pan; Dong, Xiu-Qin; Zhang, Xumu","Synthesis of chiral seven-membered β-substituted lactams via Rh-catalyzed asymmetric hydrogenation.","Organic & biomolecular chemistry","2018","16","45","8819","8823","10.1039/c8ob02231c","","x-ray","1.54184","CuKα","","0.0238","0.0238","","","0.0616","0.0616","","","","","","1.089","","","","has coordinates","230851","2020-10-21","18:00:00",""
"7156564","12.9237","0.0004","15.5472","0.0004","39.6257","0.0012","90","","90","","90","","7961.9","0.4","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H58 O7 -","- C41 H58 O7 -","- C328 H464 O56 -","8","2","","Wang, Wen-Li; Zhu, Dong-Rong; Luo, Jie; Liu, Fei-Yan; Chen, Chen; Zhu, Tian-Yu; Li, Ling-Nan; Han, Chao; Luo, Jian-Guang; Kong, Ling-Yi","Taiwanoids A-D, four dimeric diterpenoids featuring tetracyclic [7. 7<sup>5, 9</sup>. 4. 0<sup>5, 10</sup>. 0<sup>8, 9</sup>] octodecane from Taiwania cryptomerioidesim.","Organic & biomolecular chemistry","2018","16","46","9059","9063","10.1039/c8ob02566e","","","1.54178","CuKα","","0.0536","0.0439","","","0.1118","0.1185","","","","","","1.02","","","","has coordinates,has disorder","230745","2020-10-21","18:00:00",""
"7156565","10.80656","0.00008","17.94783","0.0001","7.75427","0.00006","90","","110.586","0.0008","90","","1407.94","0.019","150.04","0.1","150.04","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin","Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls.","Organic & biomolecular chemistry","2018","16","46","8965","8975","10.1039/c8ob01768a","","x-ray","1.54184","CuKα","","0.0459","0.0451","","","0.1204","0.1217","","","","","","1.048","","","","has coordinates","230743","2020-10-21","18:00:00",""
"7156566","11.4282","0.0002","25.2193","0.0004","7.59768","0.00013","90","","104.563","0.0017","90","","2119.39","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 B F2 N2 O3 -","- C26 H19 B F2 N2 O3 -","- C104 H76 B4 F8 N8 O12 -","4","1","","Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin","Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls.","Organic & biomolecular chemistry","2018","16","46","8965","8975","10.1039/c8ob01768a","","x-ray","1.54184","CuKα","","0.0449","0.0424","","","0.1123","0.1148","","","","","","1.063","","","","has coordinates,has disorder","230743","2020-10-21","18:00:00",""
"7156567","18.835","0.0008","7.1072","0.0003","21.7952","0.0009","90","","105.284","0.004","90","","2814.4","0.2","150.03","0.1","150.03","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C144 H112 O24 -","8","1","","Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin","Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls.","Organic & biomolecular chemistry","2018","16","46","8965","8975","10.1039/c8ob01768a","","x-ray","1.54184","CuKα","","0.0559","0.0508","","","0.1342","0.1432","","","","","","1.0443","","","","has coordinates","230743","2020-10-21","18:00:00",""
"7156568","16.251","0.0017","20.991","0.002","16.6756","0.0017","90","","96.331","0.002","90","","5653.8","1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Macrocycle M4b (tetramethoxy)","","- C46 H48 N4 O14 -","- C46 H48 N4 O14 -","- C184 H192 N16 O56 -","4","1","","Dempsey, Janel M.; Zhang, Qi-Wei; Oliver, Allen G.; Smith, Bradley D.","New tetralactam hosts for squaraine dyes.","Organic & biomolecular chemistry","2018","16","46","8976","8983","10.1039/c8ob02596g","","","0.71073","MoKα","","0.0812","0.0471","","","0.1061","0.1189","","","","","","1.037","","","","has coordinates","230750","2020-10-21","18:00:00",""
"7156569","8.4217","0.0006","17.9017","0.0012","18.0406","0.0012","90","","90","","90","","2719.9","0.3","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2.3 H2.15 N0.15 O0.44 -","- C2.2963 H2.14815 N0.148148 O0.444444 -","- C124 H116 N8 O24 -","54","13.5","","Liu, Yuxin; Wang, Jingdong; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Direct enantio- and diastereoselective Mannich reactions of isatin-derived ketimines with oxo-indanecarboxylates catalyzed by chiral thiourea derived from hydroquinidine.","Organic & biomolecular chemistry","2018","16","46","8927","8932","10.1039/c8ob02595a","","","0.71073","MoKα","","0.1","0.0611","","","0.1507","0.1736","","","","","","1.015","","","","has coordinates","230751","2020-10-21","18:00:00",""
"7156570","9.207","0.005","14.125","0.005","18.327","0.005","96.941","0.005","90.055","0.005","90.101","0.005","2365.9","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H0 F20.5 N20.5 O20.5 -","- C48 H50 F14 N4 O6 -","- C96 H100 F28 N8 O12 -","2","1","","Fu, Qiang; Wang, Rui; Liang, Fushun; Guan, Wei","Aza-tricycles containing a perfluoroalkyl group: synthesis, structure and fluorescence.","Organic & biomolecular chemistry","2018","16","46","8950","8954","10.1039/c8ob02749h","","","0.71069","MoKα","","0.1036","0.0744","","","0.1932","0.222","","","","","","1.065","","","","has coordinates","230744","2020-10-21","18:00:00",""
"7156571","12.992","0.0004","9.8081","0.0003","18.9141","0.0006","90","","97.2446","0.0014","90","","2390.92","0.13","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H F N O -","- C2.2 H1.9 F0.7 N0.2 O0.5 -","- C88 H76 F28 N8 O20 -","40","10","","Fu, Qiang; Wang, Rui; Liang, Fushun; Guan, Wei","Aza-tricycles containing a perfluoroalkyl group: synthesis, structure and fluorescence.","Organic & biomolecular chemistry","2018","16","46","8950","8954","10.1039/c8ob02749h","","","1.54178","CuKα","","0.1494","0.1397","","","0.4216","0.43","","","","","","3.804","","","","has coordinates","230744","2020-10-21","18:00:00",""
"7156572","10.7013","0.001","10.572","0.0009","19.8575","0.0018","90","","103.499","0.003","90","","2184.5","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3.83 H3.3 F1.04 I0.17 N0.35 O0.35 -","- C3.82609 H3.30435 F1.04348 I0.173913 N0.347826 O0.347826 -","- C88 H76 F24 I4 N8 O8 -","23","5.75","","Fu, Qiang; Wang, Rui; Liang, Fushun; Guan, Wei","Aza-tricycles containing a perfluoroalkyl group: synthesis, structure and fluorescence.","Organic & biomolecular chemistry","2018","16","46","8950","8954","10.1039/c8ob02749h","","","0.71073","MoKα","","0.1559","0.1291","","","0.3365","0.3637","","","","","","1.079","","","","has coordinates","230744","2020-10-21","18:00:00",""
"7156573","11.0331","0.0007","11.2615","0.0007","19.3004","0.0013","92.446","0.002","93.38","0.002","111.994","0.002","2214.2","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N4 O2 S -","- C27 H22 N4 O2 S -","- C108 H88 N16 O8 S4 -","4","2","","Samala, Srinivas; Ryu, Do Hyun; Song, Choong Eui; Yoo, Eun Jeong","Multicomponent dipolar cycloadditions: efficient synthesis of polycyclic fused pyrrolizidines via azomethine ylides.","Organic & biomolecular chemistry","2019","17","7","1773","1777","10.1039/c8ob02463d","","","0.71073","MoKα","","0.0534","0.0442","","","0.1202","0.1288","","","","","","1.033","","","","has coordinates","225213","2020-10-21","18:00:00",""
"7156574","9.4496","0.0008","14.01","0.0008","13.9414","0.0011","90","","106.26","0.008","90","","1771.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Gao, Feng-Teng; Fang, Zheng; Su, Rui-Rui; Rui, Pei-Xin; Hu, Xiang-Guo","Hydroximoyl fluorides as the precursors of nitrile oxides: synthesis, stability and [3 + 2]-cycloaddition with alkynes.","Organic & biomolecular chemistry","2018","16","47","9211","9217","10.1039/c8ob02721h","","","0.71073","MoKα","","0.0548","0.0477","","","0.0981","0.1013","","","","","","1.172","","","","has coordinates","230763","2020-10-21","18:00:00",""
"7156575","14.778","0.003","5.9149","0.0009","29.159","0.005","90","","90","","90","","2548.8","0.8","180","0.1","180","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F O3 -","- C17 H11 F O3 -","- C136 H88 F8 O24 -","8","1","","Guo, Jia; Peng, Xiaoshi; Wang, Xiaoyu; Xie, Fukai; Zhang, Xinhang; Liang, Guoduan; Sun, Zenghui; Liu, Yongxiang; Cheng, Maosheng; Liu, Yang","A gold-catalyzed cycloisomerization/aerobic oxidation cascade strategy for 2-aryl indenones from 1,5-enynes.","Organic & biomolecular chemistry","2018","16","47","9147","9151","10.1039/c8ob02582g","","","0.71073","MoKα","","0.2018","0.0801","","","0.1415","0.2043","","","","","","1.087","","","","has coordinates","230760","2020-10-21","18:00:00",""
"7156576","11.1459","0.0003","12.2398","0.0004","12.471","0.0004","67.383","0.001","76.829","0.001","77.617","0.001","1513.89","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Br N3 O5 S2 -","- C26 H22 Br N3 O5 S2 -","- C52 H44 Br2 N6 O10 S4 -","2","1","","Gui, Hou-Ze; Wei, Yin; Shi, Min","Construction of spirothioureas having an amino quaternary stereogenic center via a [3 + 2] annulation of 3-isothiocyanato oxindoles with 2-aminoacrylates.","Organic & biomolecular chemistry","2018","16","47","9218","9222","10.1039/c8ob02748j","","","0.71073","MoKα","","0.0633","0.0521","","","0.1544","0.1643","","","","","","1.044","","","","has coordinates,has disorder","230764","2020-10-21","18:00:00",""
"7156577","10.6362","0.0013","13.222","0.0016","11.2568","0.0014","90","","105.849","0.002","90","","1522.9","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28 Br N3 O6 S2 -","- C29 H28 Br N3 O6 S2 -","- C58 H56 Br2 N6 O12 S4 -","2","1","","Gui, Hou-Ze; Wei, Yin; Shi, Min","Construction of spirothioureas having an amino quaternary stereogenic center via a [3 + 2] annulation of 3-isothiocyanato oxindoles with 2-aminoacrylates.","Organic & biomolecular chemistry","2018","16","47","9218","9222","10.1039/c8ob02748j","","","0.71073","MoKα","","0.0735","0.053","","","0.1374","0.1494","","","","","","1.054","","","","has coordinates","230764","2020-10-21","18:00:00",""
"7156578","7.7178","0.0007","9.2215","0.0009","9.9594","0.001","84.587","0.002","86.687","0.003","78.032","0.003","689.78","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Br O3 S -","- C15 H11 Br O3 S -","- C30 H22 Br2 O6 S2 -","2","1","","Zhen, Qianqian; Huang, Dayun; Shao, Yinlin; Cheng, Tianxing; Chen, Jiuxi","Direct halosulfenylation of benzo[b]furans: a metal-free synthesis of 3-halo-2-thiobenzo[b]furans.","Organic & biomolecular chemistry","2018","16","47","9204","9210","10.1039/c8ob02680g","","","0.71073","MoKα","","0.0496","0.0394","","","0.1266","0.1643","","","","","","1.034","","","","has coordinates","230766","2020-10-21","18:00:00",""
"7156579","8.49","0.003","14.116","0.006","27.185","0.011","98.118","0.01","91.155","0.01","106.64","0.01","3084","2","296","2","196","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 B4 F12 K4 O8 -","- C56 H68 B4 F12 K4 O8 -","- C112 H136 B8 F24 K8 O16 -","2","1","","Zuo, Ya-Jie; Zhong, Zhuoran; Fan, Yinkun; Li, Xiangyu; Chen, Xiaolu; Chang, Yuwei; Song, Ruihu; Fu, Xinpeng; Zhang, Anling; Zhong, Chong-Min","Copper-catalyzed diastereoselective synthesis of β-boryl-α-quaternary carbon carboxylic esters.","Organic & biomolecular chemistry","2018","16","47","9237","9242","10.1039/c8ob02469c","","","0.71073","MoKα","","0.1196","0.0578","","","0.1343","0.1632","","","","","","1.03","","","","has coordinates","230759","2020-10-21","18:00:00",""
"7156580","6.8362","0.0001","15.7227","0.0003","10.0317","0.0001","90","","95.182","0.001","90","","1073.84","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H25 O9 -","- C22 H25 O9 -","- C44 H50 O18 -","2","1","","Nayak, Sabita; Panda, Pravati; Raiguru, Bishnu Prasad; Mohapatra, Seetaram; Purohit, Chandra Shekhar","Base mediated green synthesis of enantiopure 2-C-spiro-glycosyl-3-nitrochromenes.","Organic & biomolecular chemistry","2018","17","1","74","82","10.1039/c8ob02278j","","x-ray","1.54184","CuKα","","0.0502","0.0497","","","0.1455","0.1466","","","","","","1.1","","","","has coordinates","225077","2020-10-21","18:00:00",""
"7156581","10.4828","0.0005","13.6099","0.0006","13.9679","0.0005","76.703","0.004","79.086","0.004","80.64","0.004","1889.45","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C H Cl N -","- C3.09677 H2.45161 Cl0.129032 N0.258065 -","- C96 H76 Cl4 N8 -","31","15.5","","Ling, Fei; Xiao, Lian; Fang, Lu; Feng, Cong; Xie, Zhen; Lv, Yaping; Zhong, Weihui","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed Markovnikov addition of indoles to aryl alkynes: an approach toward bis(indolyl)alkanes.","Organic & biomolecular chemistry","2018","16","47","9274","9278","10.1039/c8ob02805b","","","0.71073","MoKα","","0.0868","0.0495","","","0.1115","0.1329","","","","","","1.028","","","","has coordinates","230762","2020-10-21","18:00:00",""
"7156582","9.7629","0.0004","11.7118","0.0006","13.505","0.0007","90.002","0.004","91.798","0.004","112.093","0.004","1429.97","0.13","293","","293","","","","","","","","","6","P -1","-P 1","2","","Unknown","","- C33 H27 F N2 O4 S -","- C33 H27 F N2 O4 S -","- C66 H54 F2 N4 O8 S2 -","2","1","","Mukhopadhyay, Soumendranath; Pan, Subhas Chandra","Organocatalytic asymmetric synthesis of highly substituted pyrrolidines bearing a stereogenic quaternary centre at the 3-position.","Organic & biomolecular chemistry","2018","16","48","9349","9353","10.1039/c8ob02648c","","x-ray","0.71073","MoKα","","0.0793","0.0594","","","0.1533","0.1689","","","","","","1.0679","","","","has coordinates","230772","2020-10-21","18:00:00",""
"7156583","6.4066","0.0005","18.5404","0.0016","16.577","0.0016","90","","91.794","0.007","90","","1968.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N6 O S -","- C21 H22 N6 O S -","- C84 H88 N24 O4 S4 -","4","1","","Eltyshev, Alexander K.; Suntsova, Polina O.; Karmatskaia, Ksenia D.; Taniya, Olga S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","An effective and facile synthesis of new blue fluorophores on the basis of an 8-azapurine core.","Organic & biomolecular chemistry","2018","16","48","9420","9429","10.1039/c8ob02644k","","","0.7107","MoKα","","0.1936","0.0696","","","0.0681","0.0948","","","","","","1.001","","","","has coordinates","230773","2020-10-21","18:00:00",""
"7156584","21.5416","0.0013","5.972","0.0004","15.4401","0.0015","90","","90","","90","","1986.3","0.3","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C44 H44 N12 O4 -","- C44 H44 N12 O4 -","- C88 H88 N24 O8 -","2","0.5","","Eltyshev, Alexander K.; Suntsova, Polina O.; Karmatskaia, Ksenia D.; Taniya, Olga S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","An effective and facile synthesis of new blue fluorophores on the basis of an 8-azapurine core.","Organic & biomolecular chemistry","2018","16","48","9420","9429","10.1039/c8ob02644k","","","0.7107","MoKα","","0.11","0.0482","","","0.078","0.0984","","","","","","1.001","","","","has coordinates","230773","2020-10-21","18:00:00",""
"7156585","10.1745","0.0011","11.3873","0.0013","12.287","0.0014","85.634","0.002","82.125","0.002","86.327","0.002","1404","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 Br O5 -","- C31 H33 Br O5 -","- C62 H66 Br2 O10 -","2","1","","Zhou, Jia-Yu; Ma, Chun; Zhang, Yi-Zhu; Wu, Qiong; Shi, Feng","Catalyst-free [4 + 2] cyclization of para-quinone methide derivatives with homophthalic anhydrides.","Organic & biomolecular chemistry","2018","16","48","9382","9389","10.1039/c8ob02776e","","","0.71073","MoKα","","0.0892","0.0447","","","0.1012","0.1172","","","","","","1.01","","","","has coordinates","230776","2020-10-21","18:00:00",""
"7156586","8.6715","0.0011","18.093","0.002","22.594","0.003","90","","100.433","0.004","90","","3486.2","0.7","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (2R,3R,4R)-4-(2-(4-methoxyphenyl)-2-oxoethyl)-4'-oxo-3'-phenyl-2'-thioxo-1-tosyl-1,4-dihydro-2H-spiro[quinoline-3,5'-thiazolidine]-2-carboxylate","","- C36 H32 N2 O7 S3 -","- C36 H32 N2 O7 S3 -","- C144 H128 N8 O28 S12 -","4","2","","Song, Yong-Xing; Du, Da-Ming","Asymmetric synthesis of highly functionalized spirothiazolidinone tetrahydroquinolines via a squaramide-catalyzed cascade reaction.","Organic & biomolecular chemistry","2018","16","48","9390","9401","10.1039/c8ob02731e","","","0.71073","MoKα","","0.0571","0.038","","","0.0789","0.0869","","","","","","1.02","","","","has coordinates,has disorder","230775","2020-10-21","18:00:00",""
"7156587","7.7671","0.0001","16.3554","0.0003","17.5789","0.0003","90","","90","","90","","2233.12","0.06","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O5 -","- C26 H34 O5 -","- C104 H136 O20 -","4","1","","Ma, Shuang-Jiang; Yu, Jie; Yan, Da-Wei; Wang, Da-Cheng; Gao, Jin-Ming; Zhang, Qiang","Meroterpene-like compounds derived from β-caryophyllene as potent α-glucosidase inhibitors","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C8OB02687D","","x-ray","1.54184","CuKα","","0.0579","0.0482","","","0.1202","0.1404","","","","","","1.0301","","","","has coordinates","212190","2020-10-21","18:00:00",""
"7156588","13.288","0.0005","6.3903","0.0002","14.4021","0.0005","90","","111.827","0.004","90","","1135.27","0.08","297.99","0.11","297.99","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O4 -","- C25 H36 O4 -","- C50 H72 O8 -","2","1","","Ma, Shuang-Jiang; Yu, Jie; Yan, Da-Wei; Wang, Da-Cheng; Gao, Jin-Ming; Zhang, Qiang","Meroterpene-like compounds derived from β-caryophyllene as potent α-glucosidase inhibitors","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C8OB02687D","","x-ray","1.54184","CuKα","","0.061","0.0521","","","0.1355","0.1488","","","","","","1.114","","","","has coordinates","212190","2020-10-21","18:00:00",""
"7156589","13.9171","0.0003","18.5603","0.0004","27.189","0.0005","90","","90","","90","","7023.1","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H53 N O6 -","- C39 H53 N O6 -","- C312 H424 N8 O48 -","8","2","","Ma, Shuang-Jiang; Yu, Jie; Yan, Da-Wei; Wang, Da-Cheng; Gao, Jin-Ming; Zhang, Qiang","Meroterpene-like compounds derived from β-caryophyllene as potent α-glucosidase inhibitors","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C8OB02687D","","x-ray","1.54178","CuKα","","0.0452","0.0378","","","0.0861","0.0904","","","","","","1.058","","","","has coordinates","212190","2020-10-21","18:00:00",""
"7156590","15.1652","0.0008","15.1364","0.0013","19.9955","0.0013","90","","106.48","0.006","90","","4401.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N O3 -","- C29 H23 N O3 -","- C232 H184 N8 O24 -","8","2","","Haldar, Surajit; Jana, Chandan K.","Direct (het)arylation of tetrahydroisoquinolines via a metal and oxidant free C(sp<sup>3</sup>)-H functionalization enabled three component reaction.","Organic & biomolecular chemistry","2019","17","7","1800","1804","10.1039/c8ob02309c","","","0.71073","MoKα","","0.1957","0.0905","","","0.1964","0.3323","","","","","","1.192","","","","has coordinates","225208","2020-10-21","18:00:00",""
"7156591","9.0274","0.0004","12.8372","0.0005","15.1428","0.0006","80.836","0.003","75.449","0.004","70.099","0.004","1591.87","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H27 F6 N2 O5 S -","- C34 H27 F6 N2 O5 S -","- C68 H54 F12 N4 O10 S2 -","2","1","","Yan, Weitao; Wang, Ruo; Zhang, Tesen; Deng, Hongtao; Chen, Jian; Wu, Wei; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl 2-pyrones and pyridones through the Brønsted base-catalyzed Pechmann-type reaction with cyclic 1,3-diones.","Organic & biomolecular chemistry","2018","16","48","9440","9445","10.1039/c8ob02701c","","","0.71073","MoKα","","0.0909","0.0569","","","0.1538","0.1684","","","","","","1.041","","","","has coordinates,has disorder","230770","2020-10-21","18:00:00",""
"7156592","9.877","0.006","11.908","0.007","16.045","0.01","90","","90","","90","","1887","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 F3 O3 -","- C10 H7 F3 O3 -","- C80 H56 F24 O24 -","8","2","","Yan, Weitao; Wang, Ruo; Zhang, Tesen; Deng, Hongtao; Chen, Jian; Wu, Wei; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl 2-pyrones and pyridones through the Brønsted base-catalyzed Pechmann-type reaction with cyclic 1,3-diones.","Organic & biomolecular chemistry","2018","16","48","9440","9445","10.1039/c8ob02701c","","","0.71073","MoKα","","0.1328","0.0673","","","0.1303","0.1582","","","","","","1.001","","","","has coordinates","230770","2020-10-21","18:00:00",""
"7156593","11.1159","0.0003","11.1159","0.0003","18.9404","0.0012","90","","90","","90","","2340.34","0.17","223","2","223","2","","","","","","","","5","P 41","P 4w","76","","(R)-1-(4-bromobutan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione","","- C9 H13 Br N2 O2 -","- C9 H13 Br N2 O2 -","- C72 H104 Br8 N16 O16 -","8","2","","Lee, Su-Jeong; Ahn, Jun-Gi; Seo, Jihwan; Ha, Heun-Jong; Cho, Chang-Woo","Organocatalytic enantioselective synthesis of acyclic pyrimidine nucleosides by aza-Michael reaction.","Organic & biomolecular chemistry","2018","16","48","9477","9486","10.1039/c8ob02754d","","","0.71073","MoKα","","0.1324","0.0814","","","0.2077","0.2452","","","","","","1.037","","","","has coordinates","230771","2020-10-21","18:00:00",""
"7156594","9.4914","0.0007","13.1578","0.0009","24.0997","0.0019","90","","90.676","0.002","90","","3009.5","0.4","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 N2 O3 -","- C37 H30 N2 O3 -","- C148 H120 N8 O12 -","4","1","","Zhang, Jiayong; Miao, Zhiwei","Bisphosphine catalyzed sequential [3 + 2] cycloaddition and Michael addition of ynones with benzylidenepyrazolones via dual α',α'-C(sp<sup>3</sup>)-H bifunctionalization to construct cyclopentanone-fused spiro-pyrazolones.","Organic & biomolecular chemistry","2018","16","48","9461","9471","10.1039/c8ob02675k","","","0.71073","MoKα","","0.0632","0.0418","","","0.1195","0.1302","","","","","","1.008","","","","has coordinates","230774","2020-10-21","18:00:00",""
"7156595","14.5095","0.0001","15.4251","0.0001","22.0039","0.0001","90","","107.777","0.001","90","","4689.56","0.06","294.15","","294.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C31 H24 N2 O2 -","- C31 H24 N2 O2 -","- C248 H192 N16 O16 -","8","1","","Zhang, Jiayong; Miao, Zhiwei","Bisphosphine catalyzed sequential [3 + 2] cycloaddition and Michael addition of ynones with benzylidenepyrazolones via dual α',α'-C(sp<sup>3</sup>)-H bifunctionalization to construct cyclopentanone-fused spiro-pyrazolones.","Organic & biomolecular chemistry","2018","16","48","9461","9471","10.1039/c8ob02675k","","x-ray","1.54184","CuKα","","0.0375","0.0363","","","0.1001","0.101","","","","","","1.035","","","","has coordinates","230774","2020-10-21","18:00:00",""
"7156596","16.7527","0.0011","9.2802","0.0006","19.428","0.0011","90","","90","","90","","3020.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2.53 H2.27 N0.13 O0.13 -","- C2.53333 H2.26667 N0.133333 O0.133333 -","- C152 H136 N8 O8 -","60","7.5","","Xiao, Jun-An; Cheng, Xiu-Liang; Li, Yu-Chun; He, Yi-Miao; Li, Jin-Lian; Liu, Zhi-Ping; Xia, Peng-Ju; Su, Wei; Yang, Hua","Palladium-catalysed ring-opening [3 + 2]-annulation of spirovinylcyclopropyl oxindole to diastereoselectively access spirooxindoles.","Organic & biomolecular chemistry","2018","17","1","103","107","10.1039/c8ob02859a","","","0.71073","MoKα","","0.0748","0.0534","","","0.1286","0.1428","","","","","","1.007","","","","has coordinates","225082","2020-10-21","18:00:00",""
"7156597","8.9496","0.0003","9.6224","0.0003","14.1054","0.0005","100.823","0.0011","90.1216","0.0011","110.257","0.001","1116.34","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 Cl2 N4 O6 -","- C54 H46 Cl2 N4 O6 -","- C54 H46 Cl2 N4 O6 -","1","0.5","","Xiao, Jun-An; Cheng, Xiu-Liang; Li, Yu-Chun; He, Yi-Miao; Li, Jin-Lian; Liu, Zhi-Ping; Xia, Peng-Ju; Su, Wei; Yang, Hua","Palladium-catalysed ring-opening [3 + 2]-annulation of spirovinylcyclopropyl oxindole to diastereoselectively access spirooxindoles.","Organic & biomolecular chemistry","2018","17","1","103","107","10.1039/c8ob02859a","","","0.71076","MoKα","","0.0578","0.0446","","","0.1129","0.121","","","","","","1.025","","","","has coordinates","225082","2020-10-21","18:00:00",""
"7156598","10.5281","0.001","7.794","0.0009","25.907","0.002","90","","90","","90","","2125.8","0.4","294.63","0.1","294.63","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H7 Br I N -","- C10 H7 Br I N -","- C80 H56 Br8 I8 N8 -","8","1","","Wang, Fang; Zhang, Xinying; He, Yan; Fan, Xuesen","Selective synthesis of pyrrolidin-2-ones and 3-iodopyrroles via the ring contraction and deformylative functionalization of piperidine derivatives.","Organic & biomolecular chemistry","2018","17","1","156","164","10.1039/c8ob02640h","","x-ray","0.71073","MoKα","","0.1534","0.1155","","","0.2883","0.3252","","","","","","1.043","","","","has coordinates","225079","2020-10-21","18:00:00",""
"7156599","13.856","0.002","6.4827","0.0011","28.807","0.003","90","","90","","90","","2587.6","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-arylquinoline","","- C16 H12 Br N -","- C16 H12 Br N -","- C128 H96 Br8 N8 -","8","1","","Gattu, Radhakrishna; Mondal, Santa; Ali, Saghir; Khan, Abu T.","Iodine monobromide catalysed regioselective synthesis of 3-arylquinolines from α-aminoacetophenones and trans-β-nitrostyrenes.","Organic & biomolecular chemistry","2019","17","2","347","353","10.1039/c8ob02333f","","","0.71073","MoKα","","0.1828","0.08","","","0.1102","0.1334","","","","","","1.104","","","","has coordinates","225139","2020-10-21","18:00:00",""
"7156600","11.6212","0.0012","6.9157","0.0008","12.8041","0.0014","90","","109.534","0.003","90","","969.82","0.18","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C48 H44 N4 O6 -","2","1","","Motaghi, Milad; Khosravi, Hormoz; Balalaie, Saeed; Rominger, Frank","Catalytic formal [4 + 1] isocyanide-based cycloaddition: an efficient strategy for the synthesis of 1H-cyclopenta[b]quinolin-1-one derivatives.","Organic & biomolecular chemistry","2019","17","2","275","282","10.1039/c8ob02857e","","","0.71073","MoKα","","0.1131","0.0546","","","0.1068","0.1308","","","","","","1.008","","","","has coordinates,has disorder","225143","2020-10-21","18:00:00",""
"7156601","13.856","0.002","6.4827","0.0011","28.807","0.003","90","","90","","90","","2587.6","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-arylquinoline","","- C16 H12 Br N -","- C16 H12 Br N -","- C128 H96 Br8 N8 -","8","1","","Carlos, Andressa M. M.; Stieler, Rafael; Lüdtke, Diogo S","Catalytic asymmetric synthesis of 3-aryl phthalides enabled by arylation-lactonization of 2-formylbenzoates.","Organic & biomolecular chemistry","2019","17","2","283","289","10.1039/c8ob02872a","","","0.71073","MoKα","","0.1828","0.08","","","0.1102","0.1334","","","","","","1.104","","","","has coordinates","225142","2020-10-21","18:00:00",""
"7156602","14.943","0.006","10.893","0.005","16.259","0.006","90","","90.199","0.01","90","","2646.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(3-methoxyphenyl)-3-(methylsulfonyl)-2-(tosylmethyl)-3,4-dihydrobenzo[f]isoquinoline","","- C29 H27 N O5 S2 -","- C29 H27 N O5 S2 -","- C116 H108 N4 O20 S8 -","4","1","","Undeela, Sridhar; Chandra, Rajesh; Nanubolu, Jagadeesh Babu; Menon, Rajeev S.","Gold-catalysed regioselective cascade cycloisomerisation reactions of aza-enediynes for the synthesis of substituted benzoisoquinoline derivatives.","Organic & biomolecular chemistry","2019","17","2","369","373","10.1039/c8ob02544d","","","0.71073","MoKα","","0.0482","0.0394","","","0.1185","0.1247","","","","","","1.068","","","","has coordinates","225140","2020-10-21","18:00:00",""
"7156603","10.8594","0.0004","7.3763","0.0003","15.5152","0.0007","90","","92.469","0.003","90","","1241.65","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H39 N3 O6 -","- C27 H39 N3 O6 -","- C54 H78 N6 O12 -","2","1","","Alkayar, Ziad T. I.; Coldham, Iain","Cascade cyclization and intramolecular nitrone dipolar cycloaddition and formal synthesis of 19-hydroxyibogamine.","Organic & biomolecular chemistry","2018","17","1","66","73","10.1039/c8ob02839g","","","1.54178","CuKα","","0.0679","0.0451","","","0.0994","0.1112","","","","","","1.011","","","","has coordinates","225080","2020-10-21","18:00:00",""
"7156604","10.1801","0.0004","10.2257","0.0014","21.1176","0.0012","90","","103.581","0.01","90","","2136.8","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Br N3 O -","- C25 H24 Br N3 O -","- C100 H96 Br4 N12 O4 -","4","1","","Wang, Kai-Kai; Li, Yan-Li; Wang, Zhan-Yong; Hu, Meng-Wei; Qiu, Ting-Ting; Zhu, Bao-Ku","Cross 1,3-dipolar cycloadditions of C,N-cyclic azomethine imines with an N-benzyl azomethine ylide: facile access to fused tricyclic 1,2,4-hexahydrotriazines.","Organic & biomolecular chemistry","2019","17","2","244","247","10.1039/c8ob02932f","","","","","","0.106","","","","","","","","","","","","","","","has coordinates","225141","2020-10-21","18:00:00",""
"7156605","10.5966","0.0001","7.8609","0.0001","11.8783","0.0001","90","","114.143","0.001","90","","902.899","0.018","99.97","0.19","99.97","0.19","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11.5 H10.5 N1.5 O -","- C11.5 H10.5 N1.5 O -","- C46 H42 N6 O4 -","4","2","","Liu, Zhiwen; Ma, Liang; Zhang, Liping; Zhang, Wenjun; Zhu, Yiguang; Chen, Yuchan; Zhang, Weimin; Zhang, Changsheng","Functional characterization of the halogenase SpmH and discovery of new deschloro-tryptophan dimers.","Organic & biomolecular chemistry","2019","17","5","1053","1057","10.1039/c8ob02775g","","x-ray","1.54184","CuKα","","0.0295","0.0291","","","0.0736","0.0739","","","","","","1.098","","","","has coordinates","225102","2020-10-21","18:00:00",""
"7156606","6.9268","0.0004","7.6212","0.0004","39.643","0.003","90","","90","","90","","2092.8","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O11 -","- C20 H32 O11 -","- C80 H128 O44 -","4","1","","Wang, Junfeng; Qin, Li; Zhao, Biqing; Cai, Liang; Zhong, Zhenping; Liu, Yonghong; Zhou, Xiaojiang","Crotonols A and B, two rare tigliane diterpenoid derivatives against K562 cells from Croton tiglium.","Organic & biomolecular chemistry","2018","17","1","195","202","10.1039/c8ob02519c","","","1.54178","CuKα","","0.1013","0.0777","","","0.1777","0.1902","","","","","","1.097","","","","has coordinates","225078","2020-10-21","18:00:00",""
"7156607","7.1064","0.0012","10.3163","0.0018","15.973","0.002","90","","90","","90","","1171","0.3","110","","110","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Xu, Dawen; Kaiser, Felix; Li, Han; Reich, Robert M.; Guo, Hao; Kühn, Fritz E","Highly selective AlCl<sub>3</sub> initiated intramolecular α-alkylation of α,β-unsaturated lactams and lactones.","Organic & biomolecular chemistry","2018","17","1","49","52","10.1039/c8ob02961j","","x-ray","0.71073","MoKα","","0.0291","0.0279","","","0.0731","0.0736","","","","","","1.083","","","","has coordinates,has disorder","225081","2020-10-21","18:00:00",""
"7156608","38.238","0.002","10.441","0.0005","17.4643","0.0009","90","","98.199","0.002","90","","6901.2","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H51 N2 Sc Si2 -","- C31 H51 N2 Sc Si2 -","- C248 H408 N16 Sc8 Si16 -","8","1","","Su, Jianhong; Zhou, Yiqun; Xu, Xin","Hydroaminoalkylation of sterically hindered alkenes with N,N-dimethyl anilines using a scandium catalyst.","Organic & biomolecular chemistry","2019","17","7","2013","2019","10.1039/c8ob02657b","","","0.71073","MoKα","","0.076","0.0425","","","0.0976","0.1188","","","","","","1.053","","","","has coordinates","225209","2020-10-21","18:00:00",""
"7156609","11.436","0.0006","8.3742","0.0004","14.1928","0.0008","90","","94.648","0.002","90","","1354.74","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N O3 -","- C15 H10 Br N O3 -","- C60 H40 Br4 N4 O12 -","4","1","","da Silva, Vitor A. F.; da Silva, Gustavo P.; Matsuo, Bianca T.; Ali, Akbar; Davis, Rebecca L.; Zukerman-Schpector, Julio; Corrêa, Arlene G; Paixão, Márcio W","Synthesis of (Z)-β-halo α,β-unsaturated carbonyl systems via the combination of halotrimethylsilane and tetrafluoroboric acid.","Organic & biomolecular chemistry","2019","17","3","519","526","10.1039/c8ob02110d","","","0.71073","MoKα","","0.0454","0.0347","","","0.09","0.0958","","","","","","1.038","","","","has coordinates","225304","2020-10-21","18:00:00",""
"7156610","8.5538","0.0005","28.5184","0.0014","9.9217","0.0005","90","","104.085","0.005","90","","2347.5","0.2","298","2","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H21 Br N2 O8 -","- C25 H21 Br N2 O8 -","- C100 H84 Br4 N8 O32 -","4","1","","Bakthadoss, Manickam; Jayakumar, Srinivasan; Raman, Selvakumar; Devaraj, Anthonisamy; Sharada, Duddu S.","A novel multicomponent quadruple/double quadruple domino reaction: highly efficient synthesis of polyheterocyclic architectures.","Organic & biomolecular chemistry","2019","17","16","3884","3893","10.1039/c8ob02970a","","","0.71073","MoKα","","0.0835","0.0463","","","0.0808","0.093","","","","","","1.05","","","","has coordinates","225169","2020-10-21","18:00:00",""
"7156611","8.0079","0.0007","10.6912","0.0011","12.9965","0.0011","79.773","0.008","82.666","0.007","69.817","0.008","1025.11","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Br N2 O6 -","- C22 H17 Br N2 O6 -","- C44 H34 Br2 N4 O12 -","2","1","","Bakthadoss, Manickam; Jayakumar, Srinivasan; Raman, Selvakumar; Devaraj, Anthonisamy; Sharada, Duddu S.","A novel multicomponent quadruple/double quadruple domino reaction: highly efficient synthesis of polyheterocyclic architectures.","Organic & biomolecular chemistry","2019","17","16","3884","3893","10.1039/c8ob02970a","","","0.71073","MoKα","","0.101","0.0491","","","0.0872","0.1046","","","","","","0.995","","","","has coordinates","225169","2020-10-21","18:00:00",""
"7156612","7.552","0.0011","8.2283","0.0011","12.801","0.0018","74.726","0.004","86.674","0.005","72.819","0.004","732.95","0.18","300","2","300","2","","","","","","","","5","P -1","-P 1","2","4'-(4-nitrophenyl)spiro[indene-2,5'-[1,4,2]oxathiazol]-1(3H)-one-4'-oxide","","","- C16 H10 N2 O5 S -","- C16 H10 N2 O5 S -","- C32 H20 N4 O10 S2 -","2","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","0.71073","MoKα","","0.0643","0.051","","","0.1583","0.1729","","","","","","1.054","","","","has coordinates","225308","2020-10-21","18:00:00",""
"7156613","11.0131","0.0002","11.9246","0.0002","14.5681","0.0003","90","","107.106","0.001","90","","1828.55","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C80 H76 N4 O12 S4 -","4","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","1.54178","CuKα","","0.0562","0.0549","","","0.1588","0.16","","","","","","1.06","","","","has coordinates,has disorder","225308","2020-10-21","18:00:00",""
"7156614","14.0083","0.001","8.7108","0.0006","11.5419","0.0008","90","","105.733","0.002","90","","1355.62","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F2 N O2 S -","- C16 H9 F2 N O2 S -","- C64 H36 F8 N4 O8 S4 -","4","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","1.54178","CuKα","","0.0335","0.0328","","","0.092","0.0927","","","","","","1.1","","","","has coordinates","225308","2020-10-21","18:00:00",""
"7156615","15.237","0.003","11.212","0.002","17.948","0.003","90","","90","","90","","3066.2","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H12 F N O3 S -","- C17 H12 F N O3 S -","- C136 H96 F8 N8 O24 S8 -","8","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","1.54178","CuKα","","0.0449","0.0448","","","0.1302","0.1303","","","","","","1.097","","","","has coordinates","225308","2020-10-21","18:00:00",""
"7156616","7.342","0.002","8.954","0.003","11.714","0.003","70.226","0.009","83.607","0.009","72.23","0.009","690.1","0.4","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N O3 S -","- C16 H11 N O3 S -","- C32 H22 N2 O6 S2 -","2","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","0.71073","MoKα","","0.0503","0.0405","","","0.108","0.1166","","","","","","1.055","","","","has coordinates","225308","2020-10-21","18:00:00",""
"7156617","8.1792","0.0013","22.368","0.004","9.641","0.0015","90","","90.631","0.003","90","","1763.7","0.5","293","","293","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Cl F O2 -","- C19 H18 Cl F O2 -","- C76 H72 Cl4 F4 O8 -","4","2","","Schlinquer, Claire; Huang, Wei-Sheng; Chen, Ling; Poisson, Thomas; Pannecoucke, Xavier; Charette, André B; Jubault, Philippe","Rhodium catalysed enantioselective synthesis of mono-(halo)-methyl-cyclopropanes.","Organic & biomolecular chemistry","2019","17","3","472","476","10.1039/c8ob03041c","","x-ray","0.71073","MoKα","","0.0872","0.0569","","","0.1388","0.1615","","","","","","1.015","","","","has coordinates","225310","2020-10-21","18:00:00",""
"7156618","6.1601","0.0007","16.0224","0.0018","16.6437","0.0019","90","","99.193","0.002","90","","1621.6","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Shen, Jiabin; Xu, Jun; Cai, Heng; Shen, Chao; Zhang, Pengfei","Platinum(ii)-catalyzed selective para C-H alkoxylation of arylamines through a coordinating activation strategy.","Organic & biomolecular chemistry","2019","17","3","490","497","10.1039/c8ob02942c","","","0.71073","MoKα","","0.0662","0.0432","","","0.1025","0.1175","","","","","","1.017","","","","has coordinates","225303","2020-10-21","18:00:00",""
"7156619","5.9701","0.0002","7.3338","0.0003","31.4408","0.0013","90","","90","","90","","1376.59","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Br Cl N2 O2 -","- C13 H10 Br Cl N2 O2 -","- C52 H40 Br4 Cl4 N8 O8 -","4","1","","Yu, Kun-Ming; Zhu, Hui-Kai; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin","Organocatalyzed asymmetric tandem conjugate addition-protonation of isocyanoacetates to 2-chloroacrylonitrile.","Organic & biomolecular chemistry","2019","17","3","639","645","10.1039/c8ob02833h","","","0.71073","MoKα","","0.0256","0.0235","","","0.056","0.0569","","","","","","1.059","","","","has coordinates","225307","2020-10-21","18:00:00",""
"7156620","10.3681","0.0006","11.3036","0.0006","13.4537","0.0008","90","","111.487","0.004","90","","1467.15","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Khopade, Tushar M.; Warghude, Prakash K.; Sonawane, Amol D.; Bhat, Ramakrishna G.","Multicomponent synthesis of pyroglutamic acid derivatives via Knoevenagel-Michael-hydrolysis-lactamization-decarboxylation (KMHL-D) sequence.","Organic & biomolecular chemistry","2019","17","3","561","566","10.1039/c8ob02473a","","","1.54178","CuKα","","0.0841","0.0622","","","0.169","0.1845","","","","","","1.045","","","","has coordinates","225309","2020-10-21","18:00:00",""
"7156621","7.3603","0.0007","16.4621","0.0016","24.344","0.002","90","","90","","90","","2949.7","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 N O3 -","- C36 H49 N O3 -","- C144 H196 N4 O12 -","4","1","","Khusnutdinova, Elmira F.; Kazakova, Oxana B.; Lobov, Alexander N.; Kukovinets, Olga S.; Suponitsky, Kyrill Yu; Meyers, Craig B.; Prichard, Mark N.","Synthesis of A-ring quinolones, nine-membered oxolactams and spiroindoles by oxidative transformations of 2,3-indolotriterpenoids.","Organic & biomolecular chemistry","2019","17","3","585","597","10.1039/c8ob02624f","","","0.71073","MoKα","","0.0806","0.0493","","","0.0955","0.1074","","","","","","0.996","","","","has coordinates","225306","2020-10-21","18:00:00",""
"7156622","7.2468","0.0001","11.3553","0.0002","12.5163","0.0002","90","","98.095","0.001","90","","1019.7","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 Cl O2 Rh -","- C21 H26 Cl O2 Rh -","- C42 H52 Cl2 O4 Rh2 -","2","1","","Ng, Fo-Ning; Chan, Chun-Ming; Li, Jianbin; Sun, Mingzi; Lu, Yin-Suo; Zhou, Zhongyuan; Huang, Bolong; Yu, Wing-Yiu","[Rh<sup>III</sup>(Cp*)]-catalyzed arylfluorination of α-diazoketoesters for facile synthesis of α-aryl-α-fluoroketoesters.","Organic & biomolecular chemistry","2019","17","5","1191","1201","10.1039/c8ob02801j","","","0.71073","MoKα","","0.0222","0.0194","","","0.0479","0.0502","","","","","","1.001","","","","has coordinates","225100","2020-10-21","18:00:00",""
"7156623","8.2888","0.0004","8.8488","0.0005","17.556","0.0009","79.844","0.002","81.31","0.001","89.519","0.001","1252.71","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 Br Cl O2 Rh -","- C27 H29 Br Cl O2 Rh -","- C54 H58 Br2 Cl2 O4 Rh2 -","2","1","","Ng, Fo-Ning; Chan, Chun-Ming; Li, Jianbin; Sun, Mingzi; Lu, Yin-Suo; Zhou, Zhongyuan; Huang, Bolong; Yu, Wing-Yiu","[Rh<sup>III</sup>(Cp*)]-catalyzed arylfluorination of α-diazoketoesters for facile synthesis of α-aryl-α-fluoroketoesters.","Organic & biomolecular chemistry","2019","17","5","1191","1201","10.1039/c8ob02801j","","","0.71073","MoKα","","0.0331","0.0263","","","0.0713","0.0811","","","","","","1.002","","","","has coordinates","225100","2020-10-21","18:00:00",""
"7156624","13.391","0.017","10.239","0.013","21.4","0.03","90","","106.18","0.03","90","","2818","6","273","2","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C140 H120 O20 -","- C140 H120 O20 -","- C140 H120 O20 -","1","0.5","","Intakaew, Neeranuth; Rithchumpon, Puracheth; Prommin, Chanatkran; Yimklan, Saranphong; Kungwan, Nawee; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by <sup>1</sup>H-NMR: aromatic influence and chiral alcohol absolute configuration determination.","Organic & biomolecular chemistry","2019","17","3","541","554","10.1039/c8ob02662a","","","0.71073","MoKα","","0.0839","0.041","","","0.0633","0.0717","","","","","","0.802","","","","has coordinates,has disorder","225305","2020-10-21","18:00:00",""
"7156625","11.362","0.0004","15.3627","0.0007","16.0741","0.0007","90","","90","","90","","2805.8","0.2","273","2","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 O5 -","- C35 H30 O5 -","- C140 H120 O20 -","4","1","","Intakaew, Neeranuth; Rithchumpon, Puracheth; Prommin, Chanatkran; Yimklan, Saranphong; Kungwan, Nawee; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by <sup>1</sup>H-NMR: aromatic influence and chiral alcohol absolute configuration determination.","Organic & biomolecular chemistry","2019","17","3","541","554","10.1039/c8ob02662a","","","0.71073","MoKα","","0.0557","0.0377","","","0.0862","0.0945","","","","","","1.027","","","","has coordinates","225305","2020-10-21","18:00:00",""
"7156626","10.1298","0.0003","18.7025","0.0005","19.0521","0.0005","90","","90","","90","","3609.47","0.17","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C160 H184 N8 O24 S8 -","8","1","","Xu, Zhong-Qi; Zheng, Lin-Chuang; Li, Lin; Duan, Lili; Li, Yue-Ming","Metal-free oxysulfonylation and aminosulfonylation of alkenyl oximes: synthesis of sulfonylated isoxazolines and cyclic nitrones.","Organic & biomolecular chemistry","2019","17","4","898","907","10.1039/c8ob02879f","","x-ray","0.71073","MoKα","","0.0483","0.04","","","0.0977","0.1037","","","","","","1.039","","","","has coordinates","225126","2020-10-21","18:00:00",""
"7156627","10.2176","0.0005","22.5674","0.0012","10.3343","0.0005","90","","117.499","0.001","90","","2113.7","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","1","","Yang, Yajie; Huang, Jiaqi; Tan, Hailu; Kong, Lingkai; Wang, Mengdan; Yuan, Yang; Li, Yanzhong","Synthesis of cyano-substituted carbazoles via successive C-C/C-H cleavage.","Organic & biomolecular chemistry","2019","17","4","958","965","10.1039/c8ob03031f","","","0.71073","MoKα","","0.0576","0.0443","","","0.1097","0.1214","","","","","","1.033","","","","has coordinates","225131","2020-10-21","18:00:00",""
"7156628","6.9632","0.0009","20.434","0.003","28.769","0.003","90","","90","","90","","4093.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O2 -","- C27 H18 N2 O2 -","- C216 H144 N16 O16 -","8","1","","Yang, Yajie; Huang, Jiaqi; Tan, Hailu; Kong, Lingkai; Wang, Mengdan; Yuan, Yang; Li, Yanzhong","Synthesis of cyano-substituted carbazoles via successive C-C/C-H cleavage.","Organic & biomolecular chemistry","2019","17","4","958","965","10.1039/c8ob03031f","","","0.71073","MoKα","","0.0605","0.0431","","","0.113","0.1283","","","","","","1.041","","","","has coordinates","225131","2020-10-21","18:00:00",""
"7156629","16.4009","0.0008","7.8236","0.0004","31.4855","0.0017","90","","102.498","0.003","90","","3944.3","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 N2 O2 -","- C27 H18 N2 O2 -","- C216 H144 N16 O16 -","8","1","","Yang, Yajie; Huang, Jiaqi; Tan, Hailu; Kong, Lingkai; Wang, Mengdan; Yuan, Yang; Li, Yanzhong","Synthesis of cyano-substituted carbazoles via successive C-C/C-H cleavage.","Organic & biomolecular chemistry","2019","17","4","958","965","10.1039/c8ob03031f","","","0.71073","MoKα","","0.0497","0.0449","","","0.1154","0.1199","","","","","","1.043","","","","has coordinates","225131","2020-10-21","18:00:00",""
"7156630","16.935","0.003","7.2255","0.0011","18.475","0.003","90","","96.243","0.016","90","","2247.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Br N O S0 -","- C28 H20 Br N O -","- C112 H80 Br4 N4 O4 -","4","1","","Li, Shengxiao; Wu, Xin-Xing; Chen, Shufeng","Base-promoted direct synthesis of functionalized N-arylindoles via the cascade reactions of allenic ketones with indoles.","Organic & biomolecular chemistry","2019","17","4","789","793","10.1039/c8ob02921k","","","0.71073","MoKα","","0.1911","0.0768","","","0.1845","0.2287","","","","","","1.04","","","","has coordinates","225127","2020-10-21","18:00:00",""
"7156631","10.9451","0.0003","7.79","0.0002","25.6813","0.0009","90","","95.0229","0.0014","90","","2181.24","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O3 S -","- C26 H22 O3 S -","- C104 H88 O12 S4 -","4","1","","Rajeshkumar, Venkatachalam; Neelamegam, Chinnaraj; Anandan, Sambandam","A one-pot metal-free protocol for the synthesis of chalcogenated furans from 1,4-enediones and thiols.","Organic & biomolecular chemistry","2019","17","4","982","991","10.1039/c8ob03051k","","","0.71073","MoKα","","0.0694","0.0424","","","0.0934","0.1082","","","","","","1.046","","","","has coordinates","225130","2020-10-21","18:00:00",""
"7156632","12.09","0.003","12.294","0.003","12.543","0.003","63.859","0.003","70.176","0.003","61.173","0.003","1447.1","0.6","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","2","","Yuan, Fu-Ru; Jiang, Fei; Chen, Ke-Wei; Mei, Guang-Jian; Wu, Qiong; Shi, Feng","Phosphine-catalyzed [4 + 2] cyclization of para-quinone methide derivatives with allenes.","Organic & biomolecular chemistry","2019","17","9","2361","2369","10.1039/c8ob02979b","","","0.71073","MoKα","","0.1393","0.068","","","0.1447","0.1806","","","","","","1.018","","","","has coordinates","225215","2020-10-21","18:00:00",""
"7156633","11.2723","0.0008","11.6971","0.0006","10.6896","0.0006","90","","101.099","0.006","90","","1383.1","0.15","223","1","223","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 B N2 O3 -","- C15 H13 B N2 O3 -","- C60 H52 B4 N8 O12 -","4","1","","Pappin, Brighid B.; Garget, Taylor A.; Healy, Peter C.; Simone, Michela I.; Kiefel, Milton J.; Houston, Todd A.","Facile amidinations of 2-aminophenylboronic acid promoted by boronate ester formation.","Organic & biomolecular chemistry","2019","17","4","803","806","10.1039/c8ob02696c","","","0.71073","MoKα","","0.0979","0.0585","","","0.1461","0.1738","","","","","","0.924","","","","has coordinates","225128","2020-10-21","18:00:00",""
"7156634","11.3834","0.0013","10.8026","0.0009","12.7677","0.001","90","","103.589","0.01","90","","1526.1","0.3","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 B2 N2 O3 -","- C15 H16 B2 N2 O3 -","- C60 H64 B8 N8 O12 -","4","1","","Pappin, Brighid B.; Garget, Taylor A.; Healy, Peter C.; Simone, Michela I.; Kiefel, Milton J.; Houston, Todd A.","Facile amidinations of 2-aminophenylboronic acid promoted by boronate ester formation.","Organic & biomolecular chemistry","2019","17","4","803","806","10.1039/c8ob02696c","","","0.7107","MoKα","","0.1448","0.081","","","0.1694","0.2174","","","","","","1.045","","","","has coordinates","225128","2020-10-21","18:00:00",""
"7156635","7.0763","0.0005","9.3343","0.0007","20.5929","0.0014","90","","92.821","0.007","90","","1358.56","0.17","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 B N2 O3 -","- C14 H15 B N2 O3 -","- C56 H60 B4 N8 O12 -","4","1","","Pappin, Brighid B.; Garget, Taylor A.; Healy, Peter C.; Simone, Michela I.; Kiefel, Milton J.; Houston, Todd A.","Facile amidinations of 2-aminophenylboronic acid promoted by boronate ester formation.","Organic & biomolecular chemistry","2019","17","4","803","806","10.1039/c8ob02696c","","","0.7107","MoKα","","0.0702","0.0514","","","0.1541","0.1853","","","","","","0.653","","","","has coordinates","225128","2020-10-21","18:00:00",""
"7156636","14.4042","0.0011","9.165","0.0005","13.235","0.0009","90","","113.504","0.008","90","","1602.2","0.2","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 B N2 O4 -","- C17 H17 B N2 O4 -","- C68 H68 B4 N8 O16 -","4","1","","Pappin, Brighid B.; Garget, Taylor A.; Healy, Peter C.; Simone, Michela I.; Kiefel, Milton J.; Houston, Todd A.","Facile amidinations of 2-aminophenylboronic acid promoted by boronate ester formation.","Organic & biomolecular chemistry","2019","17","4","803","806","10.1039/c8ob02696c","","","0.7107","MoKα","","0.0728","0.0494","","","0.124","0.1521","","","","","","0.583","","","","has coordinates","225128","2020-10-21","18:00:00",""
"7156637","19.3333","0.0008","13.2563","0.0005","24.6689","0.001","90","","108.952","0.002","90","","5979.6","0.4","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H46 N2 O2 -","- C51 H46 N2 O2 -","- C306 H276 N12 O12 -","6","3","","Gu, Haorui; Huang, Shaoying; Lin, Xufeng","Iron-catalyzed asymmetric intramolecular cyclopropanation reactions using chiral tetramethyl-1,1'-spirobiindane-based bisoxazoline (TMSI-BOX) ligands.","Organic & biomolecular chemistry","2019","17","5","1154","1162","10.1039/c8ob03065k","","","1.54178","CuKα","","0.0863","0.0802","","","0.2172","0.2237","","","","","","1.028","","","","has coordinates","225101","2020-10-21","18:00:00",""
"7156638","16.6576","0.0008","13.2575","0.0006","15.4394","0.0007","90","","109.2","0.002","90","","3220","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Cl4 N2 O3 Ru2 -","- C31 H34 Cl4 N2 O3 Ru2 -","- C124 H136 Cl16 N8 O12 Ru8 -","4","1","","Sundar, Saranya; Rengan, Ramesh","Direct synthesis of 2,4,5-trisubstituted imidazoles from primary alcohols by diruthenium(ii) catalysts under aerobic conditions.","Organic & biomolecular chemistry","2019","17","6","1402","1409","10.1039/c8ob02785d","","","0.71073","MoKα","","0.0511","0.0409","","","0.1138","0.1213","","","","","","1.05","","","","has coordinates","225144","2020-10-21","18:00:00",""
"7156639","14.3847","0.0006","13.9665","0.0005","45.3662","0.0017","90","","95.994","0.003","90","","9064.4","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98.25 H44.26 Cl0.77 F40 N8 -","- C98.255 H44.255 Cl0.765 F40 N8 -","- C393.02 H177.02 Cl3.06 F160 N32 -","4","1","","Naito, Wakana; Urakawa, Kazuki; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","Quadruply N-methylated octaphyrin: a helical macrocycle exhibiting chiroptical properties and dynamic conformation changes correlated with helical and inner N-methyl orientations.","Organic & biomolecular chemistry","2019","17","5","1163","1168","10.1039/c8ob03161d","","","0.78224","Synchrotron","","0.3086","0.1066","","","0.2173","0.288","","","","","","0.952","","","","has coordinates","225104","2020-10-21","18:00:00",""
"7156640","10.1785","0.0003","11.8901","0.0004","25.9949","0.0008","90","","90","","90","","3145.99","0.17","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Br N O6 -","- C14 H14 Br N O6 -","- C112 H112 Br8 N8 O48 -","8","1","","Chen, Huiqing; Xie, Jia; Xing, Dong; Wang, Jinping; Tang, Jie; Yi, Zhengfang; Xia, Fei; Qiu, Wen-Wei; Yang, Fan","Diastereoselective synthesis of 3,3-disubstituted 3-nitro-4-chromanone derivatives as potential antitumor agents.","Organic & biomolecular chemistry","2019","17","5","1062","1066","10.1039/c8ob02761g","","","0.71073","MoKα","","0.0636","0.0501","","","0.1251","0.1371","","","","","","1.033","","","","has coordinates,has disorder","225103","2020-10-21","18:00:00",""
"7156641","13.2804","0.0005","8.7572","0.0004","21.1478","0.0008","90","","106.224","0.0015","90","","2361.53","0.17","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F8 N2 O2 -","- C30 H12 F8 N2 O2 -","- C120 H48 F32 N8 O8 -","4","1","","Brittain, William D. G.; Cobb, Steven L.","Tetrafluoropyridyl (TFP): a general phenol protecting group readily cleaved under mild conditions.","Organic & biomolecular chemistry","2019","17","8","2110","2115","10.1039/c8ob02899k","","x-ray","0.71073","MoKα","","0.0507","0.0384","","","0.0953","0.1017","","","","","","1.047","","","","has coordinates","225085","2020-10-21","18:00:00",""
"7156642","7.4591","0.0017","10.786","0.003","26.797","0.006","90","","91.012","0.006","90","","2155.6","0.9","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 F4 N2 O3 -","- C11 H4 F4 N2 O3 -","- C88 H32 F32 N16 O24 -","8","2","","Brittain, William D. G.; Cobb, Steven L.","Tetrafluoropyridyl (TFP): a general phenol protecting group readily cleaved under mild conditions.","Organic & biomolecular chemistry","2019","17","8","2110","2115","10.1039/c8ob02899k","","x-ray","0.71073","MoKα","","0.1654","0.0662","","","0.112","0.1393","","","","","","1.01","","","","has coordinates","225085","2020-10-21","18:00:00",""
"7156643","6.1663","0.0003","11.1767","0.0006","16.5802","0.0008","90","","90","","90","","1142.69","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-3-(4-bromophenyl)isobenzofuran-1(3H)-one","","- C14 H9 Br O2 -","- C14 H9 Br O2 -","- C56 H36 Br4 O8 -","4","1","","Carlos, Andressa M. M.; Stieler, Rafael; Lüdtke, Diogo S","Catalytic asymmetric synthesis of 3-aryl phthalides enabled by arylation-lactonization of 2-formylbenzoates.","Organic & biomolecular chemistry","2019","17","2","283","289","10.1039/c8ob02872a","","x-ray","1.54178","CuKα","","0.0189","0.0188","","","0.0492","0.0492","","","","","","1.071","","","","has coordinates","212996","2020-10-21","18:00:00",""
"7156644","14.8543","0.0004","12.8156","0.0003","16.9743","0.0005","90","","105.02","0.003","90","","3120.95","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br O3 S Se -","- C31 H23 Br O3 S Se -","- C124 H92 Br4 O12 S4 Se4 -","4","1","","Huang, Shengli; Chen, Zhili; Mao, Hui; Hu, Fangli; Li, Dongmei; Tan, Yu; Yang, Fengqing; Qin, Wenling","Metal-free difunctionalization of alkynes to access tetrasubstituted olefins through spontaneous selenosulfonylation of vinylidene ortho-quinone methide (VQM).","Organic & biomolecular chemistry","2019","17","5","1121","1129","10.1039/c8ob02967a","","","0.71073","MoKα","","0.0652","0.0435","","","0.108","0.1184","","","","","","1.048","","","","has coordinates","225098","2020-10-21","18:00:00",""
"7156645","12.3922","0.0004","12.8577","0.0004","13.0925","0.0004","81.681","0.002","84.474","0.002","62.506","0.002","1829.98","0.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N4 O6 -","- C42 H40 N4 O6 -","- C84 H80 N8 O12 -","2","1","","Sengupta, Ayon; Maity, Suvendu; Mondal, Animesh; Ghosh, Prasanta; Rudra, Sonali; Mukhopadhyay, Chhanda","Pseudo five component reaction towards densely functionalized spiro[indole-3,2'-pyrrole] by picric acid, an efficient syn-diastereoselective catalyst: insight into the diastereoselection on C(sp<sup>3</sup>)-C(sp<sup>3</sup>) axial conformation.","Organic & biomolecular chemistry","2019","17","5","1254","1265","10.1039/c8ob02849d","","","0.71073","MoKα","","0.1522","0.087","","","0.2418","0.2905","","","","","","1.052","","","","has coordinates","225099","2020-10-21","18:00:00",""
"7156646","10.6167","0.0004","12.0022","0.0004","14.9533","0.0006","101.198","0.002","95.592","0.002","103.53","0.002","1796.75","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H40 Cl2 N4 O5 -","- C39 H40 Cl2 N4 O5 -","- C78 H80 Cl4 N8 O10 -","2","1","","Sengupta, Ayon; Maity, Suvendu; Mondal, Animesh; Ghosh, Prasanta; Rudra, Sonali; Mukhopadhyay, Chhanda","Pseudo five component reaction towards densely functionalized spiro[indole-3,2'-pyrrole] by picric acid, an efficient syn-diastereoselective catalyst: insight into the diastereoselection on C(sp<sup>3</sup>)-C(sp<sup>3</sup>) axial conformation.","Organic & biomolecular chemistry","2019","17","5","1254","1265","10.1039/c8ob02849d","","","0.71073","MoKα","","0.0997","0.0767","","","0.2247","0.2492","","","","","","1.052","","","","has coordinates","225099","2020-10-21","18:00:00",""
"7156647","11.5295","0.0003","20.4745","0.0005","17.1131","0.0004","90","","104.29","0.001","90","","3914.74","0.17","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H48 N4 O5 -","- C43 H48 N4 O5 -","- C172 H192 N16 O20 -","4","1","","Sengupta, Ayon; Maity, Suvendu; Mondal, Animesh; Ghosh, Prasanta; Rudra, Sonali; Mukhopadhyay, Chhanda","Pseudo five component reaction towards densely functionalized spiro[indole-3,2'-pyrrole] by picric acid, an efficient syn-diastereoselective catalyst: insight into the diastereoselection on C(sp<sup>3</sup>)-C(sp<sup>3</sup>) axial conformation.","Organic & biomolecular chemistry","2019","17","5","1254","1265","10.1039/c8ob02849d","","","0.71073","MoKα","","0.174","0.0674","","","0.1357","0.1786","","","","","","1.007","","","","has coordinates,has disorder","225099","2020-10-21","18:00:00",""
"7156648","17.0714","0.0012","27.849","0.002","6.8249","0.0003","90","","90","","90","","3244.7","0.4","100","2","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H35 N10 O6.5 -","- C36 H35 N10 O6.5 -","- C144 H140 N40 O26 -","4","1","","Calatrava-Pérez, Elena; Delente, Jason M.; Shanmugaraju, Sankarasekaran; Hawes, Chris S.; Williams, Clive D.; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Glycosylated naphthalimides and naphthalimide Tröger's bases as fluorescent aggregation probes for Con A.","Organic & biomolecular chemistry","2019","17","8","2116","2125","10.1039/c8ob02980f","","x-ray","1.54178","CuKα","","0.0924","0.0754","","","0.1873","0.2039","","","","","","1.082","","","","has coordinates,has disorder","225091","2020-10-21","18:00:00",""
"7156649","16.098","0.0005","16.098","0.0005","10.9326","0.0004","90","","90","","120","","2453.57","0.14","293","2","293","2","","","","","","","","4","P 62","P 62","171","","(R)-3-benzyl-3-((R)-4-hydroxybutan-2-yl)indolin-2-one","","- C38 H42 N2 O4 -","- C38 H42 N2 O4 -","- C114 H126 N6 O12 -","3","0.5","","Cheng, Wen-Fu; Chen, Ling-Yan; Xu, Fang-Fang; Lin, Wei-Yu; Ren, Xinfeng; Li, Ya","Organocatalytic asymmetric Michael addition between 3-subsituted oxindoles and enals catalyzed by camphor sulfonyl hydrazine.","Organic & biomolecular chemistry","2019","17","4","885","891","10.1039/c8ob02934b","","","1.54178","CuKα","","0.0356","0.0325","","","0.0826","0.0855","","","","","","1.05","","","","has coordinates,has disorder","225129","2020-10-21","18:00:00",""
"7156650","27.0176","0.0006","36.9735","0.0008","14.7072","0.0003","90","","90","","90","","14691.5","0.5","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C120 H164 N20 O18 -","- C120 H164 N20 O18 -","- C480 H656 N80 O72 -","4","0.25","","Chávez-Riveros, Alejandra; Hernández-Vázquez, Eduardo; Nieto-Camacho, Antonio; Ramírez-Apan, Teresa; Miranda, Luis D.","Synthesis of diphenylamine macrocycles and their anti-inflammatory effects.","Organic & biomolecular chemistry","2019","17","6","1423","1435","10.1039/c8ob03121e","","","1.54178","CuKα","","0.0866","0.0701","","","0.1767","0.1927","","","","","","1.123","","","","has coordinates,has disorder","225146","2020-10-21","18:00:00",""
"7156651","23.014","0.007","6.551","0.002","6.696","0.002","90","","90","","90","","1009.5","0.5","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H10 O3 S -","- C11 H10 O3 S -","- C44 H40 O12 S4 -","4","0.5","","Wang, Miao; Tang, Bo-Cheng; Ma, Jin-Tian; Wang, Zi-Xuan; Xiang, Jia-Chen; Wu, Yan-Dong; Wang, Jun-Gang; Wu, An-Xin","I<sub>2</sub>/DMSO-mediated multicomponent reaction of o-hydroxyaryl methyl ketones, rongalite, and DMSO: access to C3-sulfenylated chromones.","Organic & biomolecular chemistry","2019","17","6","1535","1541","10.1039/c8ob02994f","","","0.71073","MoKα","","0.0675","0.0493","","","0.1416","0.1604","","","","","","0.942","","","","has coordinates","225150","2020-10-21","18:00:00",""
"7156652","8.3168","0.0009","9.3791","0.0012","18.018","0.002","92.69","0.003","99.941","0.003","114.17","0.003","1252.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","2","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-mediated oxidative [3 + 2]-annulation of nitroalkenes and pyridinium ylides: general access to functionalized indolizines and efficient synthesis of 1-fluoroindolizines.","Organic & biomolecular chemistry","2019","17","6","1442","1454","10.1039/c8ob03126f","","","0.71073","MoKα","","0.0951","0.0576","","","0.124","0.1484","","","","","","1.001","","","","has coordinates","225148","2020-10-21","18:00:00",""
"7156653","9.371","0.0002","13.7203","0.0003","11.5632","0.0003","90","","93.178","0.001","90","","1484.43","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H40 N P -","- C38 H40 N P -","- C76 H80 N2 P2 -","2","1","","Mino, Takashi; Yamaguchi, Daiki; Masuda, Chihiro; Youda, Junpei; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Synthesis and application of P,olefin type axially chiral ligands with sec-alkyl groups.","Organic & biomolecular chemistry","2019","17","6","1455","1465","10.1039/c9ob00075e","","","1.54178","","","0.0509","0.0505","","","0.1229","0.1233","","","","","","1.161","","","","has coordinates,has disorder","225147","2020-10-21","18:00:00",""
"7156654","10.1412","0.0001","17.5089","0.0002","19.7319","0.0003","90","","90","","90","","3503.62","0.08","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 Cl3 N P -","- C42 H41 Cl3 N P -","- C168 H164 Cl12 N4 P4 -","4","1","","Mino, Takashi; Yamaguchi, Daiki; Masuda, Chihiro; Youda, Junpei; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Synthesis and application of P,olefin type axially chiral ligands with sec-alkyl groups.","Organic & biomolecular chemistry","2019","17","6","1455","1465","10.1039/c9ob00075e","","","1.54178","","","0.0392","0.0389","","","0.1006","0.1009","","","","","","1.045","","","","has coordinates","225147","2020-10-21","18:00:00",""
"7156655","6.299","0.004","11.213","0.007","12.297","0.008","92.294","0.008","92.253","0.009","96.879","0.008","860.8","0.9","298","","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C42 H40 O4 -","2","1","","Satpathi, Bishnupada; Dutta, Lona; Ramasastry, S. S. V.","Phosphine- and water-promoted pentannulative aldol reaction.","Organic & biomolecular chemistry","2019","17","6","1547","1551","10.1039/c8ob03106a","","","0.71073","MoKα","","0.0497","0.0391","","","0.1025","0.1119","","","","","","1.0631","","","","has coordinates","225145","2020-10-21","18:00:00",""
"7156656","16.0337","0.0016","12.9982","0.0013","14.006","0.0014","90","","99.941","0.003","90","","2875.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 B N2 O6 -","- C29 H35 B N2 O6 -","- C116 H140 B4 N8 O24 -","4","1","","Bi, Ya-Ping; Wang, He-Min; Qu, Hong-Yu; Liang, Xian-Chen; Zhou, Ying; Li, Xue-Ying; Xu, Defeng; Shen, Mei-Hua; Xu, Hua-Dong","Stereoselective synthesis of all-cis boryl tetrahydroquinolines via copper-catalyzed regioselective addition/cyclization of o-aldiminyl cinnamate with B<sub>2</sub>Pin<sub>2</sub>.","Organic & biomolecular chemistry","2019","17","6","1542","1546","10.1039/c8ob03195a","","","0.71073","MoKα","","0.0991","0.0606","","","0.168","0.1961","","","","","","1.046","","","","has coordinates","225149","2020-10-21","18:00:00",""
"7156657","31.9","0.004","9.7621","0.001","15.5417","0.0016","90","","107.394","0.014","90","","4618.5","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 B F4 N2 -","- C28 H19 B F4 N2 -","- C224 H152 B8 F32 N16 -","8","1","","Talukdar, Kangkan; Roy, Subhasish; Bag, Raghunath; Punniyamurthy, Tharmalingam","Rh-Catalyzed tandem C-C/C-N bond formation of quinoxalines with alkynes leading to heterocyclic ammonium salts.","Organic & biomolecular chemistry","2019","17","8","2148","2152","10.1039/c8ob03103g","","","0.71073","MoKα","","0.2352","0.1092","","","0.2628","0.3187","","","","","","1.349","","","","has coordinates","225089","2020-10-21","18:00:00",""
"7156658","10.9656","0.0008","14.167","0.0012","14.562","0.003","112.022","0.014","102.093","0.011","104.464","0.007","1911.4","0.5","108","1","108","1","","","","","","","","6","P -1","-P 1","2","","N-(trans-2-Iodocyclohexyl)-N-(phenylsulfonyl)benzenesulfonamide","","- C18 H20 I N O4 S2 -","- C18 H20 I N O4 S2 -","- C72 H80 I4 N4 O16 S8 -","4","2","","Lei, Bowen; Miao, Qi; Ma, Lifang; Fu, Ruoqi; Hu, Fangrong; Ni, Ni; Li, Ziyuan","Efficient metal-free aminoiodination of alkenes with N-fluorobenzenesulfonimide under mild conditions.","Organic & biomolecular chemistry","2019","17","8","2126","2133","10.1039/c8ob03019g","","x-ray","0.71073","MoKα","","0.0397","0.0329","","","0.0723","0.0766","","","","","","1.029","","","","has coordinates","225092","2020-10-21","18:00:00",""
"7156659","11.8316","0.0003","18.9651","0.0005","15.2168","0.0004","90","","101.139","0.001","90","","3350.14","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4.75 H3.38 Cl0.25 N0.13 O0.75 S0.13 -","- C4.75 H3.375 Cl0.25 N0.125 O0.75 S0.125 -","- C152 H108 Cl8 N4 O24 S4 -","32","8","","Deng, Zhi-Xiong; Xie, Zhen-Zhen; Zheng, Yu; Xiao, Jun-An; Wang, Rui-Jia; Xiang, Hao-Yue; Yang, Hua","Intramolecular hydrogen-bonding-assisted phosphine-catalysed [3 + 2] cyclisation of ynones with o-hydroxy/amino benzaldehydes.","Organic & biomolecular chemistry","2019","17","8","2187","2191","10.1039/c9ob00056a","","","0.71073","MoKα","","0.139","0.0999","","","0.3069","0.3436","","","","","","1.089","","","","has coordinates","225090","2020-10-21","18:00:00",""
"7156660","18.8452","0.0014","5.9542","0.0004","27.679","0.002","90","","103.868","0.002","90","","3015.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C136 H176 N16 O16 -","8","1","","Li, Bang; Mao, Qi; Zhou, Jia; Liu, Feng; Ye, Na","HFIP-promoted Michael reactions: direct para-selective C-H activation of anilines with maleimides.","Organic & biomolecular chemistry","2019","17","8","2242","2246","10.1039/c8ob03073a","","","0.71073","MoKα","","0.0632","0.0522","","","0.1608","0.1714","","","","","","1.028","","","","has coordinates","225088","2020-10-21","18:00:00",""
"7156661","6.7899","0.0004","16.6281","0.0011","18.1779","0.0016","90","","90","","90","","2052.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C96 H88 O16 S4 -","- C96 H88 O16 S4 -","- C96 H88 O16 S4 -","1","0.25","","Zehra, Syeda Tazeen; Zhang, Guoxiang; Yang, Shuang; Fang, Xinqiang","Kinetic resolution of β-ketoesters with quaternary stereocenters via a carbene-catalyzed benzoin reaction.","Organic & biomolecular chemistry","2019","17","8","2169","2173","10.1039/c8ob02468e","","","0.71073","MoKα","","0.0417","0.0402","","","0.1104","0.1122","","","","","","1.033","","","","has coordinates","225093","2020-10-21","18:00:00",""
"7156662","25.1245","0.0004","17.8586","0.0003","7.11686","0.0001","90","","90","","90","","3193.25","0.09","100","0.4","100","0.4","","","","","","","Marine Fungi","3","I b a 2","I 2 -2c","45","Versispiroketal A","(1'R,2R,7'S)-4,5',7'-trihydroxy-2',6,7'-trimethylspiro[benzo[d][1,3]dioxole-2,8'-bicyclo[3.2.1]octan]-2'-en-4'-one","","- C17 H20 O7 -","- C17 H20 O7 -","- C136 H160 O56 -","8","1","","Salendra, Limbadri; Luo, Xiaowei; Lin, Xiuping; Wang, Junfeng; Yang, Bin; Zhou, Xuefeng; Liu, Yonghong","Versispiroketal A, an unusual tetracyclic bridged spiroketal from the sponge-associated fungus Aspergillus versicolor SCSIO 41013.","Organic & biomolecular chemistry","2019","17","8","2182","2186","10.1039/c9ob00110g","","x-ray","1.54184","CuKα","","0.0363","0.0345","","","0.0897","0.091","","","","","","1.043","","","","has coordinates","225087","2020-10-21","18:00:00",""
"7156663","7.3505","0.0004","15.9493","0.0009","13.0154","0.0008","90","","95.358","0.003","90","","1519.2","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H9 Br F N O3 -","- C19 H9 Br F N O3 -","- C76 H36 Br4 F4 N4 O12 -","4","1","","Mphahlele, Malose J.; Mmonwa, Mmakwena M.","Vilsmeier-Haack reaction of 7-acetyl-2-arylindoles: a convenient method for the synthesis of 6-oxo-6H-pyrrolo[3,2,1-ij]quinoline-1,5-dicarbaldehydes.","Organic & biomolecular chemistry","2019","17","8","2204","2211","10.1039/c8ob03040e","","","0.56086","AgKα","","0.0599","0.0379","","","0.0739","0.081","","","","","","1.045","","","","has coordinates,has disorder","225083","2020-10-21","18:00:00",""
"7156664","36.5813","0.0018","6.2452","0.0003","13.6063","0.0007","90","","91.068","0.004","90","","3107.9","0.3","170","2","169.96","","","","","","","","","4","C 1 2 1","C 2y","5","Abinukitrine A","","","- C35 H49 N O4 -","- C35 H49 N O4 -","- C140 H196 N4 O16 -","4","1","","Li, Yong-Li; Xue, Li-Jun; Li, Jie; Chen, Li-Ming; Wu, Jian-Jun; Xu, Zhuo-Ni; Chen, Ying; Tian, Yu-Ping; Yang, Xian-Wen","Abinukitrine A, a unique 17,18-cyclolanostane triterpenoid from Abies nukiangensis.","Organic & biomolecular chemistry","2019","17","8","2107","2109","10.1039/c8ob03117g","","","1.34139","GaKα","","0.0373","0.0355","","","0.0892","0.0908","","","","","","1.052","","","","has coordinates","225084","2020-10-21","18:00:00",""
"7156665","16.3438","0.0002","12.83299","0.00016","10.54089","0.00014","90","","107.083","0.0014","90","","2113.3","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O4 S -","- C25 H21 N3 O4 S -","- C100 H84 N12 O16 S4 -","4","1","","Pang, Yadong; Liang, Guoduan; Xie, Fukai; Hu, Haibin; Du, Chuan; Zhang, Xinhang; Cheng, Maosheng; Lin, Bin; Liu, Yongxiang","N-Fluorobenzenesulfonimide as a highly effective Ag(i)-catalyst attenuator for tryptamine-derived ynesulfonamide cycloisomerization.","Organic & biomolecular chemistry","2019","17","8","2247","2257","10.1039/c9ob00059c","","","1.54184","CuKα","","0.0378","0.0343","","","0.0848","0.0879","","","","","","1.053","","","","has coordinates","225086","2020-10-21","18:00:00",""
"7156666","15.2261","0.0008","4.4752","0.0003","22.3479","0.0012","90","","102.846","0.006","90","","1484.67","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 F4 N4 S -","- C16 H8 F4 N4 S -","- C64 H32 F16 N16 S4 -","4","1","","Miao, Jiankang; Zhang, Yahui; Sang, Xiaoyan; Hao, Wenyan","A silver(i)-catalyzed cascade bicyclization strategy for synthesis of 5H-benzo[d]tetrazolo[5,1-b][1,3]thiazines.","Organic & biomolecular chemistry","2019","17","9","2336","2340","10.1039/c8ob03220c","","x-ray","0.71073","MoKα","","0.046","0.0396","","","0.0998","0.1048","","","","","","1.034","","","","has coordinates","225218","2020-10-21","18:00:00",""
"7156667","14.8813","0.0008","8.3305","0.0005","18.5422","0.0012","90","","90","","90","","2298.7","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H0.12 N4 S -","- C12 H10 N4 S -","- C96 H80 N32 S8 -","8","1","","Miao, Jiankang; Zhang, Yahui; Sang, Xiaoyan; Hao, Wenyan","A silver(i)-catalyzed cascade bicyclization strategy for synthesis of 5H-benzo[d]tetrazolo[5,1-b][1,3]thiazines.","Organic & biomolecular chemistry","2019","17","9","2336","2340","10.1039/c8ob03220c","","","0.71073","MoKα","","0.0932","0.0615","","","0.1565","0.1756","","","","","","1.053","","","","has coordinates","225218","2020-10-21","18:00:00",""
"7156668","8.9724","0.0003","17.884","0.0007","18.7581","0.0007","71.649","0.004","78.938","0.003","75.953","0.003","2749.6","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 Cl2 N4 O12 -","- C58 H64 Cl2 N4 O12 -","- C116 H128 Cl4 N8 O24 -","2","1","","Lewis, James E. M.","Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer.","Organic & biomolecular chemistry","2019","17","9","2442","2447","10.1039/c9ob00107g","","","1.54184","CuKα","","0.0751","0.0543","","","0.1458","0.1644","","","","","","1.018","","","","has coordinates,has disorder","225216","2020-10-21","18:00:00",""
"7156669","13.3255","0.0006","13.5278","0.0006","17.7443","0.0008","90.033","0.003","100.915","0.004","105.148","0.004","3027.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H78.5 N6 O20.25 -","- C58 H78 N6 O20.25 -","- C116 H156 N12 O40.5 -","2","1","","Lewis, James E. M.","Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer.","Organic & biomolecular chemistry","2019","17","9","2442","2447","10.1039/c9ob00107g","","","0.71073","MoKα","","0.0729","0.0468","","","0.0975","0.1109","","","","","","1.021","","","","has coordinates,has disorder","225216","2020-10-21","18:00:00",""
"7156670","28.3764","0.0009","22.9821","0.0008","26.0316","0.001","90","","110.512","0.004","90","","15900.2","1.1","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C75 H106 Ag F3 N6 O21 S -","- C59 H66 Ag F3 N6 O17 S -","- C472 H528 Ag8 F24 N48 O136 S8 -","8","1","","Lewis, James E. M.","Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer.","Organic & biomolecular chemistry","2019","17","9","2442","2447","10.1039/c9ob00107g","","","0.71073","MoKα","","0.0999","0.0751","","","0.2218","0.2435","","","","","","1.023","","","","has coordinates,has disorder","225216","2020-10-21","18:00:00",""
"7156671","11.4706","0.0001","12.9944","0.0001","17.0882","0.0001","90","","95.055","0.001","90","","2537.15","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3R,3aR,9bR)-3a-(2-oxo-2-phenylethyl)-3-phenyl-3,3a,4',5'-tetrahydro-1H,2'H-spiro[chromeno[4,3-b]pyrrole-2,3'-furan]-2',4(9bH)-dione","","- C29 H25 Cl2 N O5 -","- C29 H25 Cl2 N O5 -","- C116 H100 Cl8 N4 O20 -","4","2","","Kowalczyk-Dworak, Dorota; Albrecht, Łukasz","α,β-Unsaturated butenolides in an organocatalytic doubly annulative cascade for the preparation of 3,4-dihydrocoumarins.","Organic & biomolecular chemistry","2019","17","10","2624","2628","10.1039/c9ob00068b","","x-ray","1.54184","CuKα","","0.0319","0.0317","","","0.0866","0.0867","","","","","","0.907","","","","has coordinates","225041","2020-10-21","18:00:00",""
"7156672","5.4276","0.0004","9.6873","0.0007","10.8442","0.0008","69.319","0.006","82.283","0.006","83.399","0.005","527.2","0.07","230","2","230","2","","","","","","","","5","P -1","-P 1","2","2-phenylthieno[3,2-c]pyridine-4,6,7(5H)-trione","Compound 3","","- C13 H7 N O3 S -","- C13 H7 N O3 S -","- C26 H14 N2 O6 S2 -","2","1","","Tasker, Nikhil R.; Rastelli, Ettore J.; Blanco, Isabella K.; Burnett, James C.; Sharlow, Elizabeth R.; Lazo, John S.; Wipf, Peter","In-flow photooxygenation of aminothienopyridinones generates iminopyridinedione PTP4A3 phosphatase inhibitors.","Organic & biomolecular chemistry","2019","17","9","2448","2466","10.1039/c9ob00025a","","","1.54178","CuKα","","0.0621","0.0438","","","0.1068","0.1164","","","","","","1.034","","","","has coordinates","225219","2020-10-21","18:00:00",""
"7156673","11.8058","0.0008","12.6003","0.0011","19.4463","0.0012","90","","90","","90","","2892.8","0.4","108.2","0.14","108.2","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O10 -","- C31 H38 O10 -","- C124 H152 O40 -","4","1","","He, Jun; Xu, Jie-Kun; Zhang, Jia; Bai, Hong-Jin; Ma, Bing-Zhi; Cheng, Yung-Chi; Zhang, Wei-Ku","Fischeriana A, a meroterpenoid with an unusual 6/6/5/5/5/6/6 heptacyclic carbon skeleton from the roots of Euphorbia fischeriana.","Organic & biomolecular chemistry","2019","17","10","2721","2724","10.1039/c9ob00013e","","x-ray","1.54184","CuKα","","0.0398","0.0373","","","0.0944","0.0973","","","","","","1.024","","","","has coordinates","225051","2020-10-21","18:00:00",""
"7156674","9.8708","0.0004","40.1183","0.0017","9.9473","0.0005","90","","90","","90","","3939.1","0.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H14 Cl I N2 O S -","- C22 H14 Cl I N2 O S -","- C176 H112 Cl8 I8 N16 O8 S8 -","8","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Kumar, Shiv; Verma, Akhilesh K.","On water: iodine-mediated direct construction of 1,3-benzothiazines from ortho-alkynylanilines by regioselective 6-exo-dig cyclization.","Organic & biomolecular chemistry","2019","17","10","2657","2662","10.1039/c9ob00128j","","","0.71073","MoKα","","0.1807","0.0766","","","0.1418","0.1766","","","","","","1.026","","","","has coordinates","225043","2020-10-21","18:00:00",""
"7156675","10.7279","0.0004","9.5705","0.0003","14.6231","0.0005","90","","95.351","0.003","90","","1494.83","0.09","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 S -","- C17 H24 S -","- C68 H96 S4 -","4","1","","Urriolabeitia, Esteban P.; Ruiz, Sara","Ru(ii)-Catalysed synthesis of (1H)-isothiochromenes by oxidative coupling of benzylthioethers with internal alkynes.","Organic & biomolecular chemistry","2019","17","9","2542","2547","10.1039/c8ob03201g","","","0.71073","MoKα","","0.0858","0.0506","","","0.104","0.1243","","","","","","1.03","","","","has coordinates","225221","2020-10-21","18:00:00",""
"7156676","11.677","0.004","12.61","0.004","16.02","0.005","90","","99.578","0.013","90","","2326","1.3","100","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 I N4 O -","- C25 H31 I N4 O -","- C100 H124 I4 N16 O4 -","4","1","","Jaffett, Victor A.; Nerurkar, Alok; Cao, Xufeng; Guzei, Ilia A.; Golden, Jennifer E.","Telescoped synthesis of C3-functionalized (E)-arylamidines using Ugi-Mumm and regiospecific quinazolinone rearrangements.","Organic & biomolecular chemistry","2019","17","12","3118","3128","10.1039/c9ob00073a","","x-ray","0.71073","MoKα","","0.0219","0.0191","","","0.0494","0.0506","","","","","","1.031","","","","has coordinates","225302","2020-10-21","18:00:00",""
"7156677","5.7177","0.0005","7.7029","0.0006","35.315","0.003","90","","90","","90","","1555.4","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","1","","Sengoku, Tetsuya; Ikeda, Ikuhei; Ai, Keisuke; Takahashi, Masaki; Yoda, Hidemi","Indium- and zinc-catalyzed enantioselective amide propargylation of aldehydes with stannylated allenyl amides.","Organic & biomolecular chemistry","2019","17","10","2614","2618","10.1039/c9ob00040b","","","0.71075","MoKα","","0.0491","0.0461","","","0.1235","0.1286","","","","","","1.077","","","","has coordinates","225047","2020-10-21","18:00:00",""
"7156678","8.624","0.003","8.992","0.003","13.312","0.004","92.425","0.005","103.464","0.005","118.016","0.004","872.3","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C44 H34 N6 O2 -","2","1","","Hu, Fangpeng; Cui, Xinfeng; Ban, Zihui; Lu, Guoqiang; Luo, Nan; Huang, Guosheng","Synthesis of quinazolin-4(1H)-ones via amination and annulation of amidines and benzamides.","Organic & biomolecular chemistry","2019","17","9","2356","2360","10.1039/c9ob00020h","","","0.71073","MoKα","","0.0684","0.0484","","","0.1301","0.1463","","","","","","1","","","","has coordinates","225214","2020-10-21","18:00:00",""
"7156679","9.7345","0.0003","14.0642","0.0004","13.0475","0.0004","90","","91.839","0.003","90","","1785.39","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N2 O5 -","- C18 H17 Cl N2 O5 -","- C72 H68 Cl4 N8 O20 -","4","1","","Yan, Xuebin; Shao, Pei; Song, Xixi; Zhang, Chaofei; Lu, Chang; Liu, Songtao; Li, Yanli","Chemoselective syntheses of spirodihydrofuryl and spirocyclopropyl barbiturates via cascade reactions of barbiturate-based olefins and acetylacetone.","Organic & biomolecular chemistry","2019","17","10","2684","2690","10.1039/c9ob00004f","","x-ray","1.54184","CuKα","","0.0587","0.0484","","","0.1375","0.1493","","","","","","1.026","","","","has coordinates","225050","2020-10-21","18:00:00",""
"7156680","10.4959","0.0012","20.229","0.002","11.8444","0.0014","90","","96.215","0.002","90","","2500","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O5 -","- C30 H32 N2 O5 -","- C120 H128 N8 O20 -","4","1","","Pesquet, Anthony; Marzag, Hamid; Knorr, Michael; Strohmann, Carsten; Lawson, Ata Martin; Ghinet, Alina; Dubois, Joëlle; Amaury, Farce; Daïch, Adam; Othman, Mohamed","Access to 3-spiroindolizines containing an isoindole ring through intra-molecular arylation of spiro-N-acyliminium species: a new family of potent farnesyltransferase inhibitors.","Organic & biomolecular chemistry","2019","17","10","2798","2808","10.1039/c8ob02612b","","","0.71073","MoKα","","0.0579","0.0511","","","0.1246","0.1291","","","","","","1.067","","","","has coordinates","225052","2020-10-21","18:00:00",""
"7156681","9.6654","0.0018","5.3717","0.0012","17.065","0.003","90","","95.42","0.018","90","","882","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Br O3 -","- C19 H21 Br O3 -","- C38 H42 Br2 O6 -","2","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.1239","0.0709","","","","0.2044","","","","","","1.0588","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156682","8.2235","0.0006","15.8364","0.0013","17.2177","0.0013","90","","90","","90","","2242.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.0792","0.0551","","","","0.1265","","","","","","1.0707","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156683","9.3718","0.0009","5.8521","0.0004","16.3645","0.0014","90","","106.047","0.009","90","","862.54","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl O3 -","- C19 H21 Cl O3 -","- C38 H42 Cl2 O6 -","2","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.0846","0.0634","","","","0.1482","","","","","","1.0266","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156684","9.3173","0.0007","10.8597","0.0009","22.3122","0.0019","90","","90","","90","","2257.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.0696","0.0484","","","","0.0972","","","","","","1.0772","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156685","5.8561","0.0005","8.9674","0.0008","10.0618","0.0009","94.232","0.007","97.739","0.007","98.721","0.007","515.12","0.08","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H23 Br O3 -","- C24 H23 Br O3 -","- C24 H23 Br O3 -","1","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","MoKα","","0.0618","0.045","","","0.0997","0.1119","","","","","","1.089","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156686","8.8657","0.0009","10.5557","0.0009","18.97","0.002","90","","90","","90","","1775.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl O3 -","- C19 H21 Cl O3 -","- C76 H84 Cl4 O12 -","4","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.1129","0.0699","","","","0.2009","","","","","","0.9575","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156687","8.5827","0.0007","11.8639","0.001","12.5606","0.001","74.85","0.002","89.545","0.002","88.331","0.002","1234","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C52 H48 N16 O8 -","4","2","","Liu, Teng; Ji, Yi-Gang; Wu, Lei","tert-Butyl nitrite-mediated radical cyclization of tetrazole amines and alkynes toward tetrazolo[1,5-a]quinolines.","Organic & biomolecular chemistry","2019","17","10","2619","2623","10.1039/c9ob00169g","","","0.71073","MoKα","","0.0809","0.0523","","","0.1452","0.1645","","","","","","1.067","","","","has coordinates","225046","2020-10-21","18:00:00",""
"7156688","6.5026","0.0001","13.1145","0.0002","21.4093","0.0003","90","","90","","90","","1825.75","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O8 -","- C20 H24 O8 -","- C80 H96 O32 -","4","1","","Liu, Hong-Xin; Tan, Hai-Bo; Chen, Kai; Zhao, Li-Yun; Chen, Yu-Chan; Li, Sai-Ni; Li, Hao-Hua; Zhang, Wei-Min","Cytosporins A-D, novel benzophenone derivatives from the endophytic fungus Cytospora rhizophorae A761.","Organic & biomolecular chemistry","2019","17","9","2346","2350","10.1039/c8ob03223h","","x-ray","1.54184","CuKα","","0.0283","0.0275","","","0.0724","0.0729","","","","","","1.068","","","","has coordinates","225217","2020-10-21","18:00:00",""
"7156689","11.1279","0.0002","6.767","0.0001","29.5619","0.0004","90","","97.073","0.001","90","","2209.14","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N O6 S -","- C25 H27 N O5 S -","- C100 H108 N4 O20 S4 -","4","1","","Freeman, Jared L.; Brimble, Margaret A.; Furkert, Daniel P.","Convenient access to 5-membered cyclic iminium ions: evidence for a stepwise [4 + 2] cycloaddition mechanism.","Organic & biomolecular chemistry","2019","17","10","2705","2714","10.1039/c9ob00262f","","","1.54184","CuKα","","0.0361","0.0325","","","0.085","0.0874","","","","","","0.869","","","","has coordinates","225042","2020-10-21","18:00:00",""
"7156690","39.9997","0.0016","39.9997","0.0016","7.8237","0.0005","90","","90","","90","","12517.7","1.1","100","2","100","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","1,3-dimethyl-4,5-bis(2-methyl-5-(4-vinylphenyl)thiophen-3-yl)-1H-imidazol-3-ium hexafluorophosphate","","- C31.25 H29.5 Cl0.5 F6 N2 P S2 -","- C31.25 H29.5 Cl0.5 F6 N2 P S2 -","- C500 H472 Cl8 F96 N32 P16 S32 -","16","1","","Joo, Wontae; Bielawski, Christopher W.","Design, synthesis and study of a photochromic α,ω-diene: toward new classes of photoswitchable polymers.","Organic & biomolecular chemistry","2019","17","9","2486","2491","10.1039/c9ob00049f","","","1.54184","CuKα","","0.1024","0.0689","","","0.132","0.1477","","","","","","1.089","","","","has coordinates,has disorder","225220","2020-10-21","18:00:00",""
"7156691","7.613","0.003","15.188","0.005","17.464","0.006","77.323","0.005","84.333","0.004","89.849","0.005","1960.1","1.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O6 S -","- C20 H22 N2 O6 S -","- C80 H88 N8 O24 S4 -","4","2","","Gandi, Vasudeva Rao; Doan, Bao Nguyen Do; Kasinathan, Sivarajan; Bates, Roderick W.","Stereocontrol in the synthesis of cyclic amino acids: a new ligand for directed hydrogenation through hydrogen bonding.","Organic & biomolecular chemistry","2019","17","10","2753","2758","10.1039/c9ob00003h","","","0.71073","MoKα","","0.119","0.0954","","","0.2547","0.2687","","","","","","1.151","","","","has coordinates","225044","2020-10-21","18:00:00",""
"7156692","9.5182","0.0015","9.9604","0.0015","10.7803","0.0017","89.926","0.004","89.896","0.004","89.878","0.004","1022","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C42 H48 N4 O12 S2 -","2","1","","Gandi, Vasudeva Rao; Doan, Bao Nguyen Do; Kasinathan, Sivarajan; Bates, Roderick W.","Stereocontrol in the synthesis of cyclic amino acids: a new ligand for directed hydrogenation through hydrogen bonding.","Organic & biomolecular chemistry","2019","17","10","2753","2758","10.1039/c9ob00003h","","","0.71073","MoKα","","0.0761","0.0624","","","0.1522","0.1637","","","","","","0.947","","","","has coordinates","225044","2020-10-21","18:00:00",""
"7156693","8.9412","0.0015","11.6147","0.0019","11.727","0.002","92.06","0.005","111.91","0.005","102.119","0.005","1095.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O3 S -","- C24 H27 N O3 S -","- C48 H54 N2 O6 S2 -","2","1","","Yan, Fachao; Liang, Hanbing; Ai, Bing; Liang, Wenjing; Jiao, Luyang; Yao, Shuzhi; Zhao, Pingping; Liu, Qing; Dong, Yunhui; Liu, Hui","Palladium-catalyzed intermolecular [4 + 2] formal cycloaddition with (Z)-3-iodo allylic nucleophiles and allenamides.","Organic & biomolecular chemistry","2019","17","10","2651","2656","10.1039/c8ob03072c","","","0.71073","MoKα","","0.0904","0.0453","","","0.1017","0.12","","","","","","1.003","","","","has coordinates","225049","2020-10-21","18:00:00",""
"7156694","6.5334","0.0007","16.5353","0.0019","9.6045","0.0011","90","","99.396","0.004","90","","1023.7","0.2","297","2","297.05","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10.5 H10 N O3.5 -","- C10.5 H10 N O3.5 -","- C42 H40 N4 O14 -","4","2","","Yang, Mengchen; Chen, Chen; Yi, Xing; Li, Yuan; Wu, Xiaoqin; Li, Qingshan; Ban, Shurong","Thiosquaramide-catalysed asymmetric double Michael addition of 2-(3H)-furanones to nitroolefines.","Organic & biomolecular chemistry","2019","17","11","2883","2886","10.1039/c9ob00330d","","","0.71073","MoKα","","0.0678","0.0663","","","0.1825","0.1842","","","","","","1.071","","","","has coordinates,has disorder","225287","2020-10-21","18:00:00",""
"7156695","7.021","0.009","20.14","0.03","21.54","0.03","90","","95.79","0.02","90","","3030","7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C152 H120 N24 O24 -","8","2","","Guduru, Ravinder; Mangina, N. S. V. M. Rao; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold-catalyzed formation of aryl-fused pyrazolooxazepines via intramolecular regioselective 7-exo-dig cyclization.","Organic & biomolecular chemistry","2019","17","10","2809","2817","10.1039/c8ob03157f","","","0.71073","MoKα","","0.0586","0.0453","","","0.1109","0.1183","","","","","","1.021","","","","has coordinates","225048","2020-10-21","18:00:00",""
"7156696","15.43","0.003","8.5473","0.0014","20.666","0.003","90","","127.448","0.009","90","","2163.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 O2 P -","- C27 H21 O2 P -","- C108 H84 O8 P4 -","4","1","","Zhang, Ming; Jia, Xiaoyu; Zhu, Haowei; Fang, Xutong; Ji, Chenyi; Zhao, Sizhuo; Han, Li-Biao; Shen, Ruwei","Zinc-catalyzed regioselective C-P coupling of p-quinol ethers with secondary phosphine oxides to afford 2-phosphinylphenols.","Organic & biomolecular chemistry","2019","17","11","2972","2984","10.1039/c9ob00129h","","","0.71073","MoKα","","0.0962","0.0667","","","0.1966","0.2242","","","","","","1.054","","","","has coordinates","225288","2020-10-21","18:00:00",""
"7156697","11.624","0.002","16.463","0.003","10.9887","0.0018","90","","105.891","0.002","90","","2022.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 O3 P -","- C20 H33 O3 P -","- C80 H132 O12 P4 -","4","1","","Zhang, Ming; Jia, Xiaoyu; Zhu, Haowei; Fang, Xutong; Ji, Chenyi; Zhao, Sizhuo; Han, Li-Biao; Shen, Ruwei","Zinc-catalyzed regioselective C-P coupling of p-quinol ethers with secondary phosphine oxides to afford 2-phosphinylphenols.","Organic & biomolecular chemistry","2019","17","11","2972","2984","10.1039/c9ob00129h","","","0.71073","MoKα","","0.0575","0.0472","","","0.1318","0.1386","","","","","","1.08","","","","has coordinates","225288","2020-10-21","18:00:00",""
"7156698","16.8122","0.0006","5.9942","0.0002","21.1564","0.0007","90","","103.421","0.001","90","","2073.83","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O6 -","- C22 H27 N O6 -","- C88 H108 N4 O24 -","4","1","","Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos","Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.","Organic & biomolecular chemistry","2019","17","12","3167","3180","10.1039/c9ob00358d","","","1.54178","CuKα","","0.0491","0.0482","","","0.126","0.127","","","","","","1.054","","","","has coordinates","225300","2020-10-21","18:00:00",""
"7156699","6.873","0.0007","18.4289","0.0018","20.6056","0.0019","85.901","0.005","88.492","0.005","84.225","0.005","2589.6","0.4","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H84 O10 Si2 -","- C48 H84 O10 Si2 -","- C96 H168 O20 Si4 -","2","1","","Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos","Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.","Organic & biomolecular chemistry","2019","17","12","3167","3180","10.1039/c9ob00358d","","","1.54178","CuKα","","0.0553","0.0465","","","0.13","0.1368","","","","","","1.049","","","","has coordinates","225300","2020-10-21","18:00:00",""
"7156700","20.301","0.001","8.1121","0.0004","34.9928","0.0017","90","","90","","90","","5762.7","0.5","150","2","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H43 N O6 Si2 -","- C24 H43 N O6 Si2 -","- C192 H344 N8 O48 Si16 -","8","2","","Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos","Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.","Organic & biomolecular chemistry","2019","17","12","3167","3180","10.1039/c9ob00358d","","","1.54178","CuKα","","0.0819","0.0731","","","0.1834","0.1922","","","","","","1.088","","","","has coordinates","225300","2020-10-21","18:00:00",""
"7156701","12.4079","0.0007","12.825","0.0007","12.9266","0.0008","97.287","0.005","100.642","0.005","93.026","0.005","1999.2","0.2","298.84","0.1","298.84","0.1","","","","","","","","7","P 1","P 1","1","","","","- C25 H22 Br F3 N2 O5 S -","- C25 H22 Br F3 N2 O5 S -","- C75 H66 Br3 F9 N6 O15 S3 -","3","3","","Li, Boyu; Liu, Jikun; Gao, Fengyun; Sun, Mengmeng; Guo, Yifei; Zhou, Yuan; Wen, Dongwa; Deng, Yabo; Chen, Hui; Wang, Kairong; Yan, Wenjin","The asymmetric construction of CF<sub>3</sub>-containing spiro-thiazolone-pyrrolidine compounds via [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","11","2892","2895","10.1039/c9ob00325h","","x-ray","0.71073","MoKα","","0.1146","0.0553","","","0.0815","0.1032","","","","","","0.999","","","","has coordinates","225286","2020-10-21","18:00:00",""
"7156702","9.1355","0.0004","13.633","0.0005","18.2466","0.0007","90","","101.056","0.004","90","","2230.33","0.16","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N2 O2 -","- C28 H25 N2 O2 -","- C112 H100 N8 O8 -","4","1","","Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei","Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.","Organic & biomolecular chemistry","2019","17","12","3232","3238","10.1039/c9ob00179d","","x-ray","0.71073","MoKα","","0.0658","0.0536","","","0.1458","0.1548","","","","","","1.086","","","","has coordinates","225301","2020-10-21","18:00:00",""
"7156703","13.785","0.003","9.6814","0.0019","17.39","0.004","90","","106.75","0.03","90","","2222.4","0.9","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 O2 -","- C28 H24 N2 O2 -","- C112 H96 N8 O8 -","4","1","","Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei","Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.","Organic & biomolecular chemistry","2019","17","12","3232","3238","10.1039/c9ob00179d","","","0.71073","MoKα","","0.0929","0.0625","","","0.1468","0.1663","","","","","","0.995","","","","has coordinates","225301","2020-10-21","18:00:00",""
"7156704","10.4057","0.0005","10.8124","0.0008","13.1072","0.0008","103.696","0.006","104.327","0.005","102.121","0.005","1330.51","0.16","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O2 -","- C34 H28 N2 O2 -","- C68 H56 N4 O4 -","2","1","","Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei","Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.","Organic & biomolecular chemistry","2019","17","12","3232","3238","10.1039/c9ob00179d","","x-ray","0.71073","MoKα","","0.0689","0.0491","","","0.1154","0.1276","","","","","","1.051","","","","has coordinates","225301","2020-10-21","18:00:00",""
"7156705","12.5063","0.0003","13.3807","0.0002","16.7023","0.0003","68.356","0.002","80.275","0.002","62.538","0.002","2305.2","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C112 H96 N8 O8 -","4","2","","Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei","Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.","Organic & biomolecular chemistry","2019","17","12","3232","3238","10.1039/c9ob00179d","","x-ray","1.54184","CuKα","","0.0502","0.0479","","","0.1371","0.1395","","","","","","1.069","","","","has coordinates,has disorder","225301","2020-10-21","18:00:00",""
"7156706","9.8542","0.0002","10.4047","0.0002","11.6372","0.0002","112.543","0.001","94.288","0.001","106.465","0.001","1033.89","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N3 O -","- C27 H19 N3 O -","- C54 H38 N6 O2 -","2","1","","Guo, Tao; Fu, Xiang-Heng; Zhang, Miao; Li, Yu-Liu; Ma, Yong-Cheng","Catalyst-free direct cross-dehydrogenative coupling of imidazoheterocycles with glyoxal hydrates: an efficient approach to 1,2-diketones.","Organic & biomolecular chemistry","2019","17","12","3150","3158","10.1039/c9ob00095j","","","1.54178","","","0.0438","0.0378","","","0.0992","0.1053","","","","","","1.052","","","","has coordinates","225299","2020-10-21","18:00:00",""
"7156707","16.7865","0.0006","18.0322","0.0008","18.9289","0.0007","90","","99.888","0.001","90","","5644.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H47 B Cl2 F24 Se -","- C59 H47 B Cl2 F24 Se -","- C236 H188 B4 Cl8 F96 Se4 -","4","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","0.71073","MoKα","","0.0481","0.0326","","","0.0685","0.075","","","","","","1.043","","","","has coordinates,has disorder","225298","2020-10-21","18:00:00",""
"7156708","7.9846","0.0003","15.1323","0.0005","12.2645","0.0004","90","","90","","90","","1481.86","0.09","115","2","115","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H14 Br2 Se -","- C14 H14 Br2 Se -","- C56 H56 Br8 Se4 -","4","0.5","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","0.71073","MoKα","","0.0236","0.0187","","","0.0417","0.0434","","","","","","1.064","","","","has coordinates","225298","2020-10-21","18:00:00",""
"7156709","22.637","0.0013","8.9594","0.0005","18.7848","0.0011","90","","95.8","0.004","90","","3790.3","0.4","106","2","106","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Se -","- C23 H28 Se -","- C184 H224 Se8 -","8","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","1.54178","CuKα","","0.0568","0.0411","","","0.102","0.1092","","","","","","0.96","","","","has coordinates","225298","2020-10-21","18:00:00",""
"7156710","13.7859","0.0005","28.6706","0.001","14.2244","0.0005","90","","104.535","0.001","90","","5442.3","0.3","116","2","116","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H47 B F24 Se -","- C59 H47 B F24 Se -","- C236 H188 B4 F96 Se4 -","4","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","0.71073","MoKα","","0.0605","0.0418","","","0.0816","0.0878","","","","","","1.057","","","","has coordinates","225298","2020-10-21","18:00:00",""
"7156711","12.6757","0.0005","13.1647","0.0005","16.7688","0.0006","84.782","0.001","73.312","0.001","82.574","0.001","2653.63","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H49 B F24 Se -","- C56 H49 B F24.003 Se -","- C112 H98 B2 F48.006 Se2 -","2","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","1.54178","CuKα","","0.0381","0.0363","","","0.0907","0.0919","","","","","","1.025","","","","has coordinates,has disorder","225298","2020-10-21","18:00:00",""
"7156712","20.0832","0.0007","17.7513","0.0006","17.4707","0.0006","90","","114.811","0.001","90","","5653.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H47 B Cl2 F24 S -","- C59 H47 B Cl2 F24 S -","- C236 H188 B4 Cl8 F96 S4 -","4","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","1.54178","CuKα","","0.054","0.0459","","","0.1042","0.1092","","","","","","1.032","","","","has coordinates,has disorder","225298","2020-10-21","18:00:00",""
"7156713","10.141","0.0014","10.4626","0.0013","19.267","0.003","90","","90","","90","","2044.3","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl N -","- C26 H22 Cl N -","- C104 H88 Cl4 N4 -","4","1","","Uruvakili, Anasuyamma; Kumara Swamy, K. C.","Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.","Organic & biomolecular chemistry","2019","17","12","3275","3284","10.1039/c9ob00232d","","","0.71073","MoKα","","0.0363","0.0326","","","0.095","0.1037","","","","","","1.134","","","","has coordinates","225296","2020-10-21","18:00:00",""
"7156714","10.8507","0.0008","8.1358","0.0005","25.379","0.002","90","","93.054","0.003","90","","2237.3","0.3","300","2","300","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C28 H24 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Uruvakili, Anasuyamma; Kumara Swamy, K. C.","Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.","Organic & biomolecular chemistry","2019","17","12","3275","3284","10.1039/c9ob00232d","","","0.71073","MoKα","","0.0706","0.0612","","","0.1641","0.1712","","","","","","1.042","","","","has coordinates","225296","2020-10-21","18:00:00",""
"7156715","10.3117","0.0011","10.8487","0.0011","13.8774","0.0012","69.647","0.005","87.597","0.005","63.669","0.005","1292.8","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O4 -","- C32 H24 N2 O4 -","- C64 H48 N4 O8 -","2","1","","Uruvakili, Anasuyamma; Kumara Swamy, K. C.","Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.","Organic & biomolecular chemistry","2019","17","12","3275","3284","10.1039/c9ob00232d","","","0.71073","MoKα","","0.144","0.0595","","","0.1368","0.1618","","","","","","1.03","","","","has coordinates","225296","2020-10-21","18:00:00",""
"7156716","8.2333","0.0003","9.5236","0.0004","16.9935","0.0007","75.145","0.003","76.297","0.003","83.645","0.003","1249.51","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H27 N O2 -","- C33 H27 N O2 -","- C66 H54 N2 O4 -","2","1","","Uruvakili, Anasuyamma; Kumara Swamy, K. C.","Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.","Organic & biomolecular chemistry","2019","17","12","3275","3284","10.1039/c9ob00232d","","","0.71073","MoKα","","0.1159","0.0581","","","0.1174","0.1425","","","","","","0.979","","","","has coordinates","225296","2020-10-21","18:00:00",""
"7156717","5.0331","0.0003","12.9922","0.0008","17.1983","0.0011","90","","93.403","0.002","90","","1122.63","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Z)-5-(3,4-dimethoxybenzylidene)-2-((2-oxo-2-phenylethyl)selanyl)-3-phenyl-3,5-dihydro-4H-imidazol-4-one","","- C26 H22 N2 O4 Se -","- C26 H22 N2 O4 Se -","- C52 H44 N4 O8 Se2 -","2","1","","Haung, Jia-Yun; Barve, Indrajeet J.; Sun, Chung-Ming","One-pot synthesis of 4-arylidene imidazolin-5-ones by reaction of amino acid esters with isocyanates and α-bromoketones.","Organic & biomolecular chemistry","2019","17","11","3040","3047","10.1039/c8ob03111h","","","0.71073","MoKα","","0.0394","0.0335","","","0.0644","0.0658","","","","","","1.077","","","","has coordinates,has disorder","225289","2020-10-21","18:00:00",""
"7156718","14.9997","0.0015","8.0616","0.0007","20.034","0.002","90","","107.259","0.004","90","","2313.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(3,4-dimethoxybenzyl)-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-3,5-dihydro-4H-imidazol-4-one","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C104 H96 N8 O16 S4 -","4","1","","Haung, Jia-Yun; Barve, Indrajeet J.; Sun, Chung-Ming","One-pot synthesis of 4-arylidene imidazolin-5-ones by reaction of amino acid esters with isocyanates and α-bromoketones.","Organic & biomolecular chemistry","2019","17","11","3040","3047","10.1039/c8ob03111h","","","0.71073","MoKα","","0.0986","0.076","","","0.1852","0.2052","","","","","","1.01","","","","has coordinates","225289","2020-10-21","18:00:00",""
"7156719","6.8836","0.0003","7.0346","0.0003","13.579","0.0005","88.344","0.003","89.963","0.003","79.153","0.004","645.52","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 Br N S2 -","- C15 H8 Br N S2 -","- C30 H16 Br2 N2 S4 -","2","1","","Zhou, Peiqi; Huang, Yubing; Wu, Wanqing; Yu, Wentao; Li, Jianxiao; Zhu, Zhongzhi; Jiang, Huanfeng","Direct access to bis-S-heterocycles via copper-catalyzed three component tandem cyclization using S<sub>8</sub> as a sulfur source.","Organic & biomolecular chemistry","2019","17","13","3424","3432","10.1039/c9ob00377k","","x-ray","0.71073","MoKα","","0.0289","0.0268","","","0.0644","0.0657","","","","","","1.086","","","","has coordinates","225195","2020-10-21","18:00:00",""
"7156720","4.2674","0.0003","12.9135","0.0008","13.473","0.0008","77.893","0.005","87.653","0.005","86.789","0.005","724.48","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 F3 N S3 -","- C16 H8 F3 N S3 -","- C32 H16 F6 N2 S6 -","2","1","","Zhou, Peiqi; Huang, Yubing; Wu, Wanqing; Yu, Wentao; Li, Jianxiao; Zhu, Zhongzhi; Jiang, Huanfeng","Direct access to bis-S-heterocycles via copper-catalyzed three component tandem cyclization using S<sub>8</sub> as a sulfur source.","Organic & biomolecular chemistry","2019","17","13","3424","3432","10.1039/c9ob00377k","","x-ray","0.71073","MoKα","","0.0402","0.035","","","0.0812","0.0855","","","","","","1.055","","","","has coordinates","225195","2020-10-21","18:00:00",""
"7156721","8.9287","0.0018","19.324","0.004","9.833","0.002","90","","110.58","0.03","90","","1588.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N5 O2 -","- C16 H19 N5 O2 -","- C64 H76 N20 O8 -","4","1","","Zakharova, Elena A.; Shmatova, Olga I.; Kutovaya, Irina V.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of macrocyclic peptidomimetics via the Ugi-click-strategy.","Organic & biomolecular chemistry","2019","17","13","3433","3445","10.1039/c9ob00229d","","","0.9699","synchrotron","","0.1099","0.0825","","","0.1707","0.1881","","","","","","0.959","","","","has coordinates","225197","2020-10-21","18:00:00",""
"7156722","9.7321","0.0006","12.1142","0.0007","16.7703","0.001","85.618","0.002","85.655","0.002","70.199","0.002","1852.2","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5,10,15-tris(4'-methoxyphenyl)-5-(2''-pyrrolyl)isocorrole","","- C45 H37 Cl2 N5 O3 -","- C45 H37 Cl2 N5 O3 -","- C90 H74 Cl4 N10 O6 -","2","1","","Larsen, Simon; McCormick, Laura J.; Ghosh, Abhik","Rapid one-pot synthesis of pyrrole-appended isocorroles.","Organic & biomolecular chemistry","2019","17","12","3159","3166","10.1039/c9ob00168a","","","0.7749","synchrotron","","0.097","0.0814","","","0.1996","0.2088","","","","","","1.137","","","","has coordinates,has disorder","225297","2020-10-21","18:00:00",""
"7156723","11.1767","0.0016","11.631","0.0016","15.297","0.002","104.788","0.003","91.215","0.003","96.469","0.003","1907.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Copper(II) 5,10,15-tris(4'-methoxyphenyl)-10-(2''-pyrrolyl)isocorrole","","- C45 H34 Cl3 Cu N5 O3 -","- C44.9929 H33.9929 Cl2.9787 Cu N5 O3 -","- C89.9858 H67.9858 Cl5.9574 Cu2 N10 O6 -","2","1","","Larsen, Simon; McCormick, Laura J.; Ghosh, Abhik","Rapid one-pot synthesis of pyrrole-appended isocorroles.","Organic & biomolecular chemistry","2019","17","12","3159","3166","10.1039/c9ob00168a","","","0.7749","synchrotron","","0.0842","0.0698","","","0.1939","0.2105","","","","","","1.026","","","","has coordinates,has disorder","225297","2020-10-21","18:00:00",""
"7156724","8.4665","0.0008","9.9099","0.0008","20.0858","0.0016","94.466","0.007","93.734","0.007","95.165","0.007","1668.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N2 O6 S2 -","- C40 H30 N2 O6 S2 -","- C80 H60 N4 O12 S4 -","2","1","","Arupula, Sanjeeva Kumar; Gudimella, Santosh K.; Guin, Soumitra; Mobin, Shaikh M.; Samanta, Sampak","Chemoselective cyclization of N-sulfonyl ketimines with ethenesulfonyl fluorides: access to trans-cyclopropanes and fused-dihydropyrroles.","Organic & biomolecular chemistry","2019","17","13","3451","3461","10.1039/c9ob00433e","","","0.71073","MoKα","","0.1371","0.0664","","","0.1426","0.1849","","","","","","1.034","","","","has coordinates","225200","2020-10-21","18:00:00",""
"7156725","13.1858","0.0004","8.0088","0.0002","15.5088","0.0004","90","","107.498","0.003","90","","1561.98","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Arupula, Sanjeeva Kumar; Gudimella, Santosh K.; Guin, Soumitra; Mobin, Shaikh M.; Samanta, Sampak","Chemoselective cyclization of N-sulfonyl ketimines with ethenesulfonyl fluorides: access to trans-cyclopropanes and fused-dihydropyrroles.","Organic & biomolecular chemistry","2019","17","13","3451","3461","10.1039/c9ob00433e","","","0.71073","MoKα","","0.0955","0.0576","","","0.1391","0.1623","","","","","","1.063","","","","has coordinates","225200","2020-10-21","18:00:00",""
"7156726","13.2102","0.0005","11.1069","0.0003","15.6812","0.0006","90","","106.801","0.004","90","","2202.6","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24.75 H22.5 F2 N O4 S2 -","- C24 H20 F N O5 S2 -","- C96 H80 F4 N4 O20 S8 -","4","1","","Arupula, Sanjeeva Kumar; Gudimella, Santosh K.; Guin, Soumitra; Mobin, Shaikh M.; Samanta, Sampak","Chemoselective cyclization of N-sulfonyl ketimines with ethenesulfonyl fluorides: access to trans-cyclopropanes and fused-dihydropyrroles.","Organic & biomolecular chemistry","2019","17","13","3451","3461","10.1039/c9ob00433e","","","0.71073","MoKα","","0.0759","0.0534","","","0.14","0.1635","","","","","","1.059","","","","has coordinates","225200","2020-10-21","18:00:00",""
"7156727","7.8813","0.0004","9.4987","0.0005","13.5549","0.0007","95.706","0.004","92.226","0.004","91.5","0.004","1008.5","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H18 I N O2 S Se -","- C21 H18 I N O2 S Se -","- C42 H36 I2 N2 O4 S2 Se2 -","2","1","","Zeng, Xianghua; Chen, Lu","Organo-selenium mediated regio- and stereoselective iodoselenylation of alkynes in an aqueous medium: simple access to (E)-β-iodoalkenyl selenides.","Organic & biomolecular chemistry","2019","17","13","3338","3342","10.1039/c9ob00524b","","x-ray","0.71073","MoKα","","0.0387","0.0316","","","0.0653","0.0694","","","","","","1.018","","","","has coordinates","225201","2020-10-21","18:00:00",""
"7156728","9.8651","0.0004","18.4812","0.0009","11.3374","0.0006","90","","107.506","0.005","90","","1971.29","0.17","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 -","- C24 H22 N4 -","- C96 H88 N16 -","4","1","","Ren, Linning; Wang, Manman; Fang, Benyao; Yu, Wenquan; Chang, Junbiao","Iodine-mediated oxidative N-N coupling of secondary amines to hydrazines.","Organic & biomolecular chemistry","2019","17","13","3446","3450","10.1039/c9ob00279k","","x-ray","1.54184","CuKα","","0.0649","0.0487","","","0.1316","0.1474","","","","","","1.028","","","","has coordinates","225199","2020-10-21","18:00:00",""
"7156729","17.424","0.003","12.1","0.002","19.028","0.003","90","","101.189","0.004","90","","3935.4","1.1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl N O -","- C24 H22 Cl N O -","- C192 H176 Cl8 N8 O8 -","8","1","","Wu, Qiong; Li, Gui-Lin; Yang, Shuang; Shi, Xiao-Qin; Huang, Tian-Zi; Du, Xi-Hua; Chen, Yan","A chemo- and regioselective C6-functionalization of 2,3-disubstituted indoles: highly efficient synthesis of diarylindol-6-ylmethanes.","Organic & biomolecular chemistry","2019","17","13","3462","3470","10.1039/c9ob00283a","","","0.71073","MoKα","","0.1218","0.0478","","","0.1126","0.145","","","","","","1","","","","has coordinates,has disorder","225198","2020-10-21","18:00:00",""
"7156730","8.7751","0.0005","13.7237","0.0007","14.599","0.001","90","","101.524","0.006","90","","1722.67","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Zhou, Yuxiang; Li, Chenglong; Yuan, Xiaoyan; Zhang, Feiyan; Liu, Xiaozu; Liu, Peijun","Cobalt-catalyzed C2α-acyloxylation of 2-substituted indoles with tert-butyl peresters.","Organic & biomolecular chemistry","2019","17","13","3343","3347","10.1039/c9ob00159j","","x-ray","0.71073","MoKα","","0.0606","0.0464","","","0.0981","0.107","","","","","","1.056","","","","has coordinates","225196","2020-10-21","18:00:00",""
"7156731","8.8758","0.0008","14.7297","0.0012","11.9629","0.0011","90","","101.831","0.009","90","","1530.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C80 H60 N12 O8 -","4","1","","Zhou, Yuxiang; Li, Chenglong; Yuan, Xiaoyan; Zhang, Feiyan; Liu, Xiaozu; Liu, Peijun","Cobalt-catalyzed C2α-acyloxylation of 2-substituted indoles with tert-butyl peresters.","Organic & biomolecular chemistry","2019","17","13","3343","3347","10.1039/c9ob00159j","","x-ray","0.71073","MoKα","","0.062","0.0482","","","0.1047","0.1144","","","","","","1.029","","","","has coordinates","225196","2020-10-21","18:00:00",""
"7156732","8.209","0.002","9.719","0.003","12.587","0.005","111.424","0.006","104.496","0.007","96.556","0.004","881.2","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","1","1","","- C18 H6 B F5 N2 O0 S4 -","- C18 H6 B F5 N2 S4 -","- C36 H12 B2 F10 N4 S8 -","2","1","","Sun, Yijuan; Qu, Zhirong; Zhou, Zhikuan; Gai, Lizhi; Lu, Hua","Thieno[3,2-b]thiophene fused BODIPYs: synthesis, near-infrared luminescence and photosensitive properties.","Organic & biomolecular chemistry","2019","17","14","3617","3622","10.1039/c9ob00030e","","","0.71073","MoKα","","0.0804","0.0443","","","0.1154","0.1543","","","","","","1.095","","","","has coordinates","225203","2020-10-21","18:00:00",""
"7156733","5.103","0.0001","24.0246","0.0003","13.7034","0.0002","90","","98.635","0.001","90","","1660.96","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 F N2 O6 -","- C15 H19 F N2 O6 -","- C60 H76 F4 N8 O24 -","4","2","","Zhu, Liping; Xiong, Jiale; An, Junkai; Chen, Nannan; Xue, Jijun; Jiang, Xianxing","Highly efficient regio-selective ring-opening nucleophilic fluorination of aziridines and azetidines: access to β- or γ-fluorinated amino acid derivatives.","Organic & biomolecular chemistry","2019","17","15","3797","3804","10.1039/c9ob00172g","","x-ray","1.54184","CuKα","","0.0375","0.036","","","0.0933","0.0954","","","","","","1.054","","","","has coordinates,has disorder","225242","2020-10-21","18:00:00",""
"7156734","13.5721","0.0006","12.8938","0.0008","7.9189","0.0004","90","","106.101","0.005","90","","1331.42","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N S -","- C14 H10 F3 N S -","- C56 H40 F12 N4 S4 -","4","1","","Qiao, Mengjun; Zhang, Jinli; Chen, Ling; Zhou, Fengyi; Zhang, Yali; Zhou, Lingfei; Wu, Yangjie","Transition metal-free α-C<sub>sp<sup>3</sup></sub>-H oxidative sulfuration of benzyl thiosulfates with anilines to form N-aryl thioamides.","Organic & biomolecular chemistry","2019","17","15","3790","3796","10.1039/c9ob00336c","","x-ray","1.54184","CuKα","","0.0764","0.061","","","0.1697","0.1865","","","","","","1.047","","","","has coordinates,has disorder","225238","2020-10-21","18:00:00",""
"7156735","28.113","0.003","13.907","0.0015","20.473","0.002","90","","94.807","0.005","90","","7976.1","1.4","90","2","90","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 I3 N2 -","- C18 H19 I3 N2 -","- C288 H304 I48 N32 -","16","4","","Johnson, Lewis E.; Kingsbury, Jason S.; Elder, Delwin L.; Cattolico, Rose Ann; Latimer, Luke N.; Hardin, William; De Meulenaere, Evelien; Deodato, Chloe; Depotter, Griet; Madabushi, Sowmya; Bigelow, Nicholas W.; Smolarski, Brittany A.; Hougen, Trevor K.; Kaminsky, Werner; Clays, Koen; Robinson, Bruce H.","DANPY (dimethylaminonaphthylpyridinium): an economical and biocompatible fluorophore.","Organic & biomolecular chemistry","2019","17","15","3765","3780","10.1039/c8ob02536c","","x-ray","0.71073","MoKα","","0.1019","0.0559","","","0.1324","0.1481","","","","","","1.061","","","","has coordinates","225237","2020-10-21","18:00:00",""
"7156736","20.6684","0.0013","20.6684","0.0013","24.235","0.002","90","","90","","120","","8965.8","1.1","216","2","216","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C81 H110 N24 Ni6 O9 S12 -","- C81 H108 N24 Ni6 O9 S12 -","- C243 H324 N72 Ni18 O27 S36 -","3","0.166667","","Zhang, Meng-Juan; Li, Hong-Xi; Young, David J.; Li, Hai-Yan; Lang, Jian-Ping","Reaction condition controlled nickel(ii)-catalyzed C-C cross-coupling of alcohols.","Organic & biomolecular chemistry","2019","17","14","3567","3574","10.1039/c9ob00418a","","","0.71073","MoKα","","0.0798","0.0458","","","0.1163","0.1251","","","","","","1.001","","","","has coordinates","225202","2020-10-21","18:00:00",""
"7156737","16.3542","0.001","6.0255","0.0004","17.1246","0.0012","90","","98.854","0.002","90","","1667.39","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Cao, Bo; Wei, Yin; Shi, Min","Mitsunobu-initiated cascade cyclization of p-quinamines and 2-furanylmethanols: highly regio- and diastereoselective synthesis of functionalized hydrobenzo[c,d]indoles.","Organic & biomolecular chemistry","2019","17","15","3737","3740","10.1039/c9ob00585d","","","0.71073","MoKα","","0.053","0.0433","","","0.106","0.1143","","","","","","1.05","","","","has coordinates","225240","2020-10-21","18:00:00",""
"7156738","7.1904","0.0015","17.064","0.004","8.726","0.0019","90","","100.039","0.004","90","","1054.3","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H8 Cl2 O4 -","- C10 H8 Cl2 O4 -","- C40 H32 Cl8 O16 -","4","1","","Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne","Total synthesis of spiromastilactone A.","Organic & biomolecular chemistry","2019","17","15","3819","3824","10.1039/c9ob00547a","","x-ray","0.71073","MoKα","","0.0501","0.0388","","","0.0986","0.1066","","","","","","1.039","","","","has coordinates","225239","2020-10-21","18:00:00",""
"7156739","12.4339","0.0019","19.941","0.003","12.721","0.0019","90","","96.173","0.003","90","","3135.8","0.8","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H49 N O4 Si2 -","- C26 H49 N O4 Si2 -","- C104 H196 N4 O16 Si8 -","4","1","","Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne","Total synthesis of spiromastilactone A.","Organic & biomolecular chemistry","2019","17","15","3819","3824","10.1039/c9ob00547a","","x-ray","0.71073","MoKα","","0.1895","0.0786","","","0.1887","0.2425","","","","","","1.014","","","","has coordinates","225239","2020-10-21","18:00:00",""
"7156740","8.84318","0.00016","8.84318","0.00016","47.459","0.0011","90","","90","","90","","3711.38","0.13","297.71","0.1","297.71","0.1","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C160 H192 O56 -","8","1","","Yang, Xing; Yuan, Po; Shui, Feng; Zhou, Yuqin; Chen, Xiaochuan","A divergent strategy to synthesize gabosines featuring a switchable two-way aldol cyclization.","Organic & biomolecular chemistry","2019","17","16","4061","4072","10.1039/c9ob00469f","","x-ray","1.54184","CuKα","","0.078","0.0745","","","0.1895","0.1909","","","","","","1.115","","","","has coordinates","225168","2020-10-21","18:00:00",""
"7156741","15.7507","0.0018","9.3997","0.0011","12.8142","0.0015","90","","93.56","0.002","90","","1893.5","0.4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C84 H72 N8 O20 -","4","1","","Jin, Li-Wen; Jiang, Fei; Chen, Ke-Wei; Du, Bai-Xiang; Mei, Guang-Jian; Shi, Feng","Phosphine-catalyzed regiospecific (3 + 2) cyclization of 3-nitroindoles with allene esters.","Organic & biomolecular chemistry","2019","17","16","3894","3901","10.1039/c9ob00432g","","","0.71073","MoKα","","0.1139","0.0715","","","0.2062","0.2455","","","","","","1.024","","","","has coordinates","225164","2020-10-21","18:00:00",""
"7156742","23.3244","0.0007","9.7484","0.0003","23.6714","0.0007","90","","107.472","0.002","90","","5134","0.3","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Cl N4 O2 S -","- C28 H25 Cl N4 O2 S -","- C224 H200 Cl8 N32 O16 S8 -","8","2","","Mariappan, Arumugam; Rajaguru, Kandasamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","A facile one pot synthesis of thiazolo[3,2-a]benzimidazole and pyran fused polyheterocyclic scaffolds.","Organic & biomolecular chemistry","2019","17","17","4196","4199","10.1039/c9ob00300b","","","1.54178","CuKα","","0.0746","0.0549","","","0.1081","0.1168","","","","","","1.055","","","","has coordinates","225134","2020-10-21","18:00:00",""
"7156743","8.7437","0.0004","9.0981","0.0005","11.3532","0.0006","89.931","0.004","69.876","0.005","83.515","0.004","841.91","0.08","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br N O -","- C22 H16 Br N O -","- C44 H32 Br2 N2 O2 -","2","1","","Saini, Hitesh Kumar; Dhiman, Shiv; Nandwana, Nitesh Kumar; Krishnan, Rangan; Kumar, Anil","Copper and palladium-catalyzed sequential reactions: one-pot synthesis of isoindolo[2,1-b]isoquinolin-7(5H)-ones.","Organic & biomolecular chemistry","2019","17","17","4281","4290","10.1039/c9ob00440h","","x-ray","0.71073","MoKα","","0.0723","0.0469","","","0.0969","0.1055","","","","","","0.989","","","","has coordinates","225132","2020-10-21","18:00:00",""
"7156744","14.9969","0.0004","14.8584","0.0003","10.6249","0.0003","90","","110.575","0.003","90","","2216.53","0.11","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N O -","- C30 H21 N O -","- C120 H84 N4 O4 -","4","1","","Saini, Hitesh Kumar; Dhiman, Shiv; Nandwana, Nitesh Kumar; Krishnan, Rangan; Kumar, Anil","Copper and palladium-catalyzed sequential reactions: one-pot synthesis of isoindolo[2,1-b]isoquinolin-7(5H)-ones.","Organic & biomolecular chemistry","2019","17","17","4281","4290","10.1039/c9ob00440h","","x-ray","1.54184","CuKα","","0.0395","0.0379","","","0.0994","0.1006","","","","","","1.024","","","","has coordinates","225132","2020-10-21","18:00:00",""
"7156745","10.6454","0.001","15.8564","0.0011","9.6081","0.001","90","","112.912","0.012","90","","1493.9","0.3","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Saini, Hitesh Kumar; Dhiman, Shiv; Nandwana, Nitesh Kumar; Krishnan, Rangan; Kumar, Anil","Copper and palladium-catalyzed sequential reactions: one-pot synthesis of isoindolo[2,1-b]isoquinolin-7(5H)-ones.","Organic & biomolecular chemistry","2019","17","17","4281","4290","10.1039/c9ob00440h","","x-ray","0.71073","MoKα","","0.0885","0.0855","","","0.2156","0.2174","","","","","","1.058","","","","has coordinates","225132","2020-10-21","18:00:00",""
"7156746","7.0958","0.0006","8.4262","0.0007","11.316","0.0008","87.424","0.006","82.903","0.006","75.668","0.007","650.44","0.09","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","3-{[2-(Dimethylamino)ethyl]amino}-5-hydroxy-5-(trifluoromethyl)cyclohex-2-en-1-one","","- C11 H17 F3 N2 O2 -","- C11 H17 F3 N2 O2 -","- C22 H34 F6 N4 O4 -","2","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Khudina, Olga G.; Burgart, Yanina V.; Kudyakova, Yulia S.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Sadretdinova, Lilya Sh; Evstigneeva, Natalya P.; Gerasimova, Natalya A.; Saloutin, Victor I.","Autocatalyzed three-component cyclization of polyfluoroalkyl-3-oxo esters, methyl ketones and alkyl amines: a novel approach to 3-alkylamino-5-hydroxy-5-polyfluoroalkylcyclohex-2-en-1-ones.","Organic & biomolecular chemistry","2019","17","17","4273","4280","10.1039/c9ob00293f","","","0.71073","MoKα","","0.1146","0.0646","","","0.1552","0.2089","","","","","","1.002","","","","has coordinates","225137","2020-10-21","18:00:00",""
"7156747","9.1257","0.0009","21.064","0.002","8.9372","0.001","90","","117.891","0.014","90","","1518.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pyrrolidinium 5-Hydroxy-2-propyl-5-(trifluoromethyl)cyclohex-1-one-3-olate","","- C14 H22 F3 N O3 -","- C14 H22 F3 N O3 -","- C56 H88 F12 N4 O12 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Khudina, Olga G.; Burgart, Yanina V.; Kudyakova, Yulia S.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Sadretdinova, Lilya Sh; Evstigneeva, Natalya P.; Gerasimova, Natalya A.; Saloutin, Victor I.","Autocatalyzed three-component cyclization of polyfluoroalkyl-3-oxo esters, methyl ketones and alkyl amines: a novel approach to 3-alkylamino-5-hydroxy-5-polyfluoroalkylcyclohex-2-en-1-ones.","Organic & biomolecular chemistry","2019","17","17","4273","4280","10.1039/c9ob00293f","","","0.71073","MoKα","","0.1277","0.0666","","","0.1804","0.2429","","","","","","1.003","","","","has coordinates,has disorder","225137","2020-10-21","18:00:00",""
"7156748","19.3581","0.0002","25.0827","0.0003","6.72","0.0001","90","","90","","90","","3262.92","0.07","118.4","0.8","118.4","0.8","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H29 Br N2 O5 -","- C35 H29 Br N2 O5 -","- C140 H116 Br4 N8 O20 -","4","1","","Wang, Yichen; Chen, Yuzhen; Li, Xiaoping; Mao, Yukang; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai","Enantioselective synthesis of pyrano[2,3-c]pyrrole via an organocatalytic [4 + 2] cyclization reaction of dioxopyrrolidines and azlactones.","Organic & biomolecular chemistry","2019","17","16","3945","3950","10.1039/c9ob00419j","","x-ray","1.54184","CuKα","","0.0353","0.0304","","","0.0692","0.0758","","","","","","0.871","","","","has coordinates","225163","2020-10-21","18:00:00",""
"7156749","12.6579","0.0007","19.8384","0.0011","5.6765","0.0003","90","","90","","90","","1425.44","0.13","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C21 H16 -","- C21 H16 -","- C84 H64 -","4","1","","Mato, Mauro; Martín-Torres, Inmaculada; Herlé, Bart; Echavarren, Antonio M.","Cyclopropane-alkene metathesis by gold(i)-catalyzed decarbenation of persistent cyclopropanes.","Organic & biomolecular chemistry","2019","17","17","4216","4219","10.1039/c9ob00359b","","","0.71073","MoKα","","0.0475","0.0407","","","0.1078","0.1152","","","","","","1.055","","","","has coordinates","225136","2020-10-21","18:00:00",""
"7156750","13.27","0.003","5.3525","0.0011","20.691","0.004","90","","103.956","0.004","90","","1426.3","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O2 S -","- C18 H14 O2 S -","- C72 H56 O8 S4 -","4","1","","Shu, Wen-Ming; Wang, Shuai; Zhang, Xun-Fang; He, Jian-Xin; Wu, An-Xin","A cascade oxidation/[4 + 1] annulation of sulfonium salts for synthesis of polyfunctional furans: DMSO as one carbon source.","Organic & biomolecular chemistry","2019","17","17","4311","4316","10.1039/c9ob00443b","","","0.71073","MoKα","","0.0854","0.0502","","","0.1332","0.1574","","","","","","1.051","","","","has coordinates","225133","2020-10-21","18:00:00",""
"7156751","11.0875","0.0014","11.2228","0.0012","25.651","0.003","90","","98.141","0.004","90","","3159.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 N O5 -","- C41 H29 N O5 -","- C164 H116 N4 O20 -","4","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.135","0.0646","","","0.1513","0.1802","","","","","","1.016","","","","has coordinates","225171","2020-10-21","18:00:00",""
"7156752","8.851","0.003","9.689","0.004","19.549","0.007","95.91","0.012","96.198","0.01","100.149","0.011","1627.8","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H30 Cl N O6 -","- C39 H30 Cl N O6 -","- C78 H60 Cl2 N2 O12 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.0686","0.0461","","","0.1121","0.1233","","","","","","1.015","","","","has coordinates","225171","2020-10-21","18:00:00",""
"7156753","9.861","0.008","10.277","0.008","21.278","0.015","76.246","0.02","86.55","0.02","85.28","0.02","2086","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Cl3 N O6 -","- C42 H26 Cl3 N O6 -","- C84 H52 Cl6 N2 O12 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.3149","0.1476","","","0.3565","0.4562","","","","","","1.03","","","","has coordinates","225171","2020-10-21","18:00:00",""
"7156754","10.252","0.003","11.75","0.003","15.681","0.004","99.354","0.008","103.382","0.008","103.029","0.008","1743.8","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 F N O5 -","- C42 H30 F N O5 -","- C84 H60 F2 N2 O10 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.1367","0.0704","","","0.1748","0.2112","","","","","","1.019","","","","has coordinates","225171","2020-10-21","18:00:00",""
"7156755","8.936","0.001","11.8146","0.0014","14.0852","0.0015","88.678","0.004","73.876","0.003","86.577","0.004","1426","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H27 N5 O3 -","- C34 H27 N5 O3 -","- C68 H54 N10 O6 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.0808","0.05","","","0.1153","0.1307","","","","","","1.025","","","","has coordinates","225171","2020-10-21","18:00:00",""
"7156756","9.6947","0.0008","10.8845","0.0008","18.8025","0.0014","80.319","0.002","80.832","0.002","72.455","0.003","1852.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H31 N O6 -","- C43 H31 N O6 -","- C86 H62 N2 O12 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.1256","0.0719","","","0.1883","0.2058","","","","","","1.106","","","","has coordinates","225171","2020-10-21","18:00:00",""
"7156757","6.2201","0.0007","12.705","0.0014","35.317","0.004","90","","90","","90","","2791","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl N3 O3 -","- C34 H28 Cl N3 O3 -","- C136 H112 Cl4 N12 O12 -","4","1","","Hutskalova, Valeriia; Mykhailiuk, Pavel K.","Pd-Catalyzed directed CH-(hetero)arylation of cyclic α-amino acids: effects of substituents and the ring size.","Organic & biomolecular chemistry","2019","17","17","4342","4349","10.1039/c9ob00393b","","","0.71073","MoKα","","0.1045","0.0512","","","0.08","0.0956","","","","","","1.015","","","","has coordinates","225135","2020-10-21","18:00:00",""
"7156758","6.871","0.003","10.77","0.005","21.856","0.011","94.578","0.01","94.404","0.01","102.422","0.013","1567.1","1.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Cl N3 O9 -","- C33 H38 Cl N3 O9 -","- C66 H76 Cl2 N6 O18 -","2","1","","Hutskalova, Valeriia; Mykhailiuk, Pavel K.","Pd-Catalyzed directed CH-(hetero)arylation of cyclic α-amino acids: effects of substituents and the ring size.","Organic & biomolecular chemistry","2019","17","17","4342","4349","10.1039/c9ob00393b","","","0.71073","MoKα","","0.1566","0.0773","","","0.1769","0.2077","","","","","","1.02","","","","has coordinates,has disorder","225135","2020-10-21","18:00:00",""
"7156759","10.868","0.01","15.852","0.015","21.43","0.02","74.499","0.01","79.884","0.01","87.811","0.01","3502","6","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H56 B Cu2 F4 N8 O4 -","- C68 H56 B Cu2 F4 N8 O4 -","- C136 H112 B2 Cu4 F8 N16 O8 -","2","1","","Harada, Kentaro; Sekiya, Ryo; Maehara, Takeshi; Haino, Takeharu","Substituent-controlled racemization of dissymmetric coordination capsules.","Organic & biomolecular chemistry","2019","17","19","4729","4735","10.1039/c9ob00388f","","","0.71073","MoKα","","0.2041","0.1819","","","0.4678","0.4807","","","","","","1.873","","","","has coordinates","225156","2020-10-21","18:00:00",""
"7156760","7.92142","0.00004","7.19257","0.00004","11.36141","0.00005","90","","97.7125","0.0004","90","","641.465","0.006","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","2-((6aS,7S,10aR)-2-methoxy-6-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-7-yl)acetaldehyde","","- C16 H16 O4 -","- C16 H16 O4 -","- C32 H32 O8 -","2","1","","Albrecht, Anna; Bojanowski, Jan; Kot, Adrianna; Sieroń, Lesław","Decarboxylative, trienamine mediated cycloaddition for the synthesis of 3,4-dihydrocoumarin derivatives.","Organic & biomolecular chemistry","2019","17","17","4238","4242","10.1039/c9ob00386j","","x-ray","1.54184","CuKα","","0.0238","0.0237","","","0.0626","0.0626","","","","","","1.006","","","","has coordinates","225138","2020-10-21","18:00:00",""
"7156761","8.5399","0.0001","7.2817","0.0001","10.6201","0.0001","90","","105.546","0.001","90","","636.25","0.013","100","","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","2-((6aR,7R,10aS)-2-Methyl-6-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-7-yl)acetaldehyde","","- C16 H16 O3 -","- C16 H16 O3 -","- C32 H32 O6 -","2","1","","Albrecht, Anna; Bojanowski, Jan; Kot, Adrianna; Sieroń, Lesław","Decarboxylative, trienamine mediated cycloaddition for the synthesis of 3,4-dihydrocoumarin derivatives.","Organic & biomolecular chemistry","2019","17","17","4238","4242","10.1039/c9ob00386j","","x-ray","1.54184","CuKα","","0.0218","0.0217","","","0.0556","0.0556","","","","","","1.054","","","","has coordinates","225138","2020-10-21","18:00:00",""
"7156762","7.2227","0.0009","8.8688","0.0011","9.7985","0.0013","72.745","0.002","86.41","0.003","77","0.002","584.04","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl O2 S2 -","- C12 H9 Cl O2 S2 -","- C24 H18 Cl2 O4 S4 -","2","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0539","0.0422","","","0.1267","0.1387","","","","","","0.948","","","","has coordinates","225190","2020-10-21","18:00:00",""
"7156763","7.4647","0.0005","10.1476","0.0006","14.7974","0.0009","90","","97.68","0.001","90","","1110.83","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C48 H40 O8 S8 -","4","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0293","0.0266","","","0.0742","0.0764","","","","","","1.035","","","","has coordinates","225190","2020-10-21","18:00:00",""
"7156764","7.5548","0.0005","8.985","0.0006","11.3559","0.0007","75.451","0.001","79.463","0.001","65.962","0.001","678.58","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 O2 S2 -","- C15 H14 O2 S2 -","- C30 H28 O4 S4 -","2","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0408","0.0371","","","0.1001","0.1037","","","","","","1.042","","","","has coordinates,has disorder","225190","2020-10-21","18:00:00",""
"7156765","16.7044","0.0015","4.7039","0.0004","18.5969","0.0017","90","","90","","90","","1461.3","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C76 H56 N8 O12 -","4","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0444","0.0391","","","0.0962","0.1007","","","","","","1.012","","","","has coordinates","225190","2020-10-21","18:00:00",""
"7156766","7.522","0.002","9.502","0.003","26.913","0.008","86.186","0.005","89.331","0.005","69.408","0.005","1796.6","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N2 O3.5 -","- C23 H19 N2 O3.5 -","- C92 H76 N8 O14 -","4","2","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.1079","0.1027","","","0.2634","0.2668","","","","","","1.615","","","","has coordinates","225190","2020-10-21","18:00:00",""
"7156767","8.7979","0.0018","24.844","0.005","9.454","0.0019","90","","111.09","0.03","90","","1928","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O2 S2 -","- C21 H22 N2 O2 S2 -","- C84 H88 N8 O8 S8 -","4","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0483","0.0392","","","0.0977","0.1041","","","","","","1.029","","","","has coordinates","225190","2020-10-21","18:00:00",""
"7156768","16.1338","0.0003","8.5259","0.0001","14.364","0.0002","90","","114.544","0.0008","90","","1797.31","0.05","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 O3 S -","- C11 H8 O3 S -","- C88 H64 O24 S8 -","8","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0358","0.0312","","","0.0887","0.0924","","","","","","1.072","","","","has coordinates","225190","2020-10-21","18:00:00",""
"7156769","7.21212","0.00009","15.4816","0.0002","26.0416","0.0003","90","","90","","90","","2907.68","0.06","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","2","","Ghosh, Arnab; Hegde, Rajeev; Makane, Vitthal B.; Sridhar, Balasubramanian; Rode, Haridas B.; Patil, Siddappa A.; Dateer, Ramesh B.","Transition metal-free functionalized hydration of alkynes: one-pot synthesis of fluorinated β-keto-imidates using Selectfluor.","Organic & biomolecular chemistry","2019","17","18","4440","4445","10.1039/c9ob00527g","","","0.71073","MoKα","","0.1954","0.0757","","","0.1242","0.1564","","","","","","1.024","","","","has coordinates","225247","2020-10-21","18:00:00",""
"7156770","8.6622","0.0001","10.7712","0.0002","11.176","0.0002","102.418","0.0005","97.3598","0.0005","113.427","0.0004","907.48","0.03","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 F N O4 -","- C23 H18 F N O4 -","- C46 H36 F2 N2 O8 -","2","1","","Shinde, Sundar S.; Laha, Soumi; Tiwari, Dharmendra K.; Sridhar, B.; Likhar, Pravin R.","A multi-component reaction for the synthesis of pyrido [1,2-b] isoquinoline derivatives via the [3 + 2] cycloaddition reaction between alkynes and in situ generated isoquinolinium ylides.","Organic & biomolecular chemistry","2019","17","16","4121","4128","10.1039/c9ob00560a","","","0.71073","MoKα","","0.053","0.0457","","","0.1261","0.1321","","","","","","1.042","","","","has coordinates","225170","2020-10-21","18:00:00",""
"7156771","25.282","0.002","3.7619","0.0002","35.085","0.003","90","","92.481","0.007","90","","3333.7","0.4","293","","293","","","","","","","","synthesized","4","I 1 2/a 1","-I 2ya","15","","","","- C15 H11 F2 N5 -","- C15 H11 F2 N5 -","- C120 H88 F16 N40 -","8","1","","Kathuria, Deepika; Gupta, Pankaj; Chourasiya, Sumit S.; Sahoo, Subash C.; Beifuss, Uwe; Chakraborti, Asit K.; Bharatam, Prasad V.","An unprecedented intramolecular to intermolecular mechanistic switch in 1,1-diaminoazines leading to differential product formation during the I<sub>2</sub>-induced tandem oxidative transformation.","Organic & biomolecular chemistry","2019","17","16","4129","4138","10.1039/c9ob00610a","","x-ray","0.71073","MoKα","","0.2008","0.07","","","0.1632","0.2208","","","","","","0.9196","","","","has coordinates","225167","2020-10-21","18:00:00",""
"7156772","10.6086","0.0014","11.1096","0.0013","15.126","0.002","104.594","0.003","106.964","0.004","93.19","0.003","1634","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H37 N3 O9 -","- C37 H37 N3 O9 -","- C74 H74 N6 O18 -","2","1","","Arrata, Irene; Grison, Claire M.; Coubrough, Heather M.; Prabhakaran, Panchami; Little, Marc A.; Tomlinson, Darren C.; Webb, Michael E.; Wilson, Andrew J.","Control of conformation in α-helix mimicking aromatic oligoamide foldamers through interactions between adjacent side-chains.","Organic & biomolecular chemistry","2019","17","15","3861","3867","10.1039/c9ob00123a","","","0.71073","MoKα","","0.0735","0.0419","","","0.0872","0.0989","","","","","","1.007","","","","has coordinates","225241","2020-10-21","18:00:00",""
"7156773","11.156","0.005","11.456","0.005","13.201","0.006","100.51","0.02","108.58","0.02","100.45","0.02","1519.6","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 Cl2 N2 O4 -","- C35 H28 Cl2 N2 O4 -","- C70 H56 Cl4 N4 O8 -","2","1","","Tehri, Piyush; Peddinti, Rama Krishna","DBU-catalyzed [3 + 2] cycloaddition and Michael addition reactions of 3-benzylidene succinimides with 3-ylidene oxindoles and chalcones.","Organic & biomolecular chemistry","2019","17","16","3964","3970","10.1039/c9ob00385a","","","0.71073","MoKα","","0.1441","0.1081","","","0.3387","0.3861","","","","","","1.474","","","","has coordinates","225165","2020-10-21","18:00:00",""
"7156774","10.6788","0.0006","11.5046","0.0003","12.2981","0.0003","114.417","0.001","103.953","0.002","96.855","0.002","1293.5","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cl N O3 -","- C32 H24 Cl N O3 -","- C64 H48 Cl2 N2 O6 -","2","1","","Tehri, Piyush; Peddinti, Rama Krishna","DBU-catalyzed [3 + 2] cycloaddition and Michael addition reactions of 3-benzylidene succinimides with 3-ylidene oxindoles and chalcones.","Organic & biomolecular chemistry","2019","17","16","3964","3970","10.1039/c9ob00385a","","","0.71073","MoKα","","0.074","0.048","","","0.1407","0.1803","","","","","","1.052","","","","has coordinates","225165","2020-10-21","18:00:00",""
"7156775","8.5355","0.0003","9.9613","0.0003","17.9321","0.0005","90","","100.199","0.002","90","","1500.58","0.08","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","","Yan, Li-Qin; Cai, Xiaoting; He, Xinwei; Wang, Hui; Xie, Mengqing; Zuo, Youpeng; Shang, Yongjia","Synthesis of 4-styrylcoumarins via FeCl<sub>3</sub>-promoted cascade reactions of propargylamines with β-keto esters.","Organic & biomolecular chemistry","2019","17","16","4005","4013","10.1039/c9ob00323a","","","0.71073","MoKα","","0.0743","0.0544","","","0.1402","0.1582","","","","","","1.031","","","","has coordinates","225166","2020-10-21","18:00:00",""
"7156776","23.736","0.004","5.9771","0.0006","21.99","0.003","90","","90","","90","","3119.8","0.7","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H9 N O -","- C15 H9 N O -","- C180 H108 N12 O12 -","12","3","","Patil, Manoj D.; Liu, Rai-Shung","Direct access to benzofuro[2,3-b]quinoline and 6H-chromeno[3,4-b]quinoline cores through gold-catalyzed annulation of anthranils with arenoxyethynes and aryl propargyl ethers.","Organic & biomolecular chemistry","2019","17","18","4452","4455","10.1039/c9ob00468h","","","0.71073","MoKα","","0.2074","0.082","","","0.1809","0.2602","","","","","","1.013","","","","has coordinates,has disorder","225246","2020-10-21","18:00:00",""
"7156777","8.1844","0.0009","24.475","0.003","8.6835","0.0009","90","","106.736","0.006","90","","1665.7","0.3","294","2","294.21","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4.21 H3.79 F0.63 N0.21 O0.21 -","- C4.21053 H3.78947 F0.631579 N0.210526 O0.210526 -","- C80 H72 F12 N4 O4 -","19","4.75","","Guo, Jia; Xu, Cong; Wang, Ling; Huang, Wanqiao; Wang, Mang","Catalyst-free and selective trifluoromethylative cyclization of acryloanilides using PhICF<sub>3</sub>Cl.","Organic & biomolecular chemistry","2019","17","18","4593","4599","10.1039/c9ob00601j","","","1.54178","CuKα","","0.0664","0.052","","","0.1199","0.128","","","","","","1.05","","","","has coordinates","225243","2020-10-21","18:00:00",""
"7156778","12.285","0.0004","28.8977","0.0011","25.3483","0.0009","90","","103.049","0.001","90","","8766.5","0.5","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C95 H95.5 N6.5 O16 -","- C95 H101 N6.5 O16 -","- C380 H404 N26 O64 -","4","2","","Wang, Guo; Qiang, Hui; Guo, Yun-Zhe; Yang, Jie; Wen, Ke; Hu, Wei-Bo","Systematic rim cyano-functionalization of pillar[5]arene and corresponding host-guest property varieties.","Organic & biomolecular chemistry","2019","17","18","4600","4604","10.1039/c9ob00396g","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","225245","2020-10-21","18:00:00",""
"7156779","13.9003","0.0017","13.9234","0.0016","13.9234","0.0016","78.58","","63.598","0.002","63.598","0.002","2161.9","0.4","150","2","149.99","","","","","","","","","3","P -1","-P 1","2","","","","- C51 H29 N13 -","- C51 H29 N13 -","- C102 H58 N26 -","2","1","","Wang, Guo; Qiang, Hui; Guo, Yun-Zhe; Yang, Jie; Wen, Ke; Hu, Wei-Bo","Systematic rim cyano-functionalization of pillar[5]arene and corresponding host-guest property varieties.","Organic & biomolecular chemistry","2019","17","18","4600","4604","10.1039/c9ob00396g","","","0.71073","MoKα","","0.1494","0.0655","","","0.148","0.1715","","","","","","0.901","","","","has coordinates","225245","2020-10-21","18:00:00",""
"7156780","11.8381","0.0005","12.1136","0.0005","16.2757","0.0008","91.438","0.003","99.204","0.002","99.741","0.002","2267.44","0.18","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H35 Cl5 N6 O4 -","- C47 H35 Cl5 N6 O4 -","- C94 H70 Cl10 N12 O8 -","2","1","","Wang, Guo; Qiang, Hui; Guo, Yun-Zhe; Yang, Jie; Wen, Ke; Hu, Wei-Bo","Systematic rim cyano-functionalization of pillar[5]arene and corresponding host-guest property varieties.","Organic & biomolecular chemistry","2019","17","18","4600","4604","10.1039/c9ob00396g","","","0.71073","MoKα","","0.1953","0.1147","","","0.3011","0.36","","","","","","1.191","","","","has coordinates","225245","2020-10-21","18:00:00",""
"7156781","7.316","0.0002","19.1755","0.0005","12.7269","0.0005","90","","103.311","0.004","90","","1737.46","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O2 S -","- C20 H17 N3 O2 S -","- C80 H68 N12 O8 S4 -","4","1","","Zhao, Xue-Mei; Huang, En-Ling; Zhu, Yu-Shen; Li, Jing; Song, Bing; Zhu, Xinju; Hao, Xin-Qi","Oxidative sulfonamidomethylation of imidazopyridines utilizing methanol as the main C1 source.","Organic & biomolecular chemistry","2019","17","19","4869","4878","10.1039/c9ob00596j","","x-ray","1.54184","CuKα","","0.0971","0.0913","","","0.1988","0.2019","","","","","","1.015","","","","has coordinates,has disorder","225161","2020-10-21","18:00:00",""
"7156782","9.405","0.007","9.471","0.007","9.815","0.007","84.218","0.008","63.798","0.007","78.437","0.008","768.4","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C36 H30 N6 O2 -","2","1","","Chen, Jinpeng; Liang, Taoyuan; Zhao, He; Lin, Chuyuan; Chen, Lu; Zhang, Min","Silver-mediated three-component cycloaddition reaction for direct synthesis of 1-N-vinyl-substituted 1,2,3-triazoles.","Organic & biomolecular chemistry","2019","17","19","4843","4849","10.1039/c9ob00686a","","","0.71073","MoKα","","0.043","0.0395","","","0.1204","0.125","","","","","","1.032","","","","has coordinates","225159","2020-10-21","18:00:00",""
"7156783","9.1145","0.0005","18.1803","0.0017","18.6882","0.0017","115.886","0.009","99.779","0.006","99.493","0.006","2643.8","0.5","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H34 O2 -","- C20 H34 O2 -","- C120 H204 O12 -","6","3","","Chen, Song; Chen, Ting; Liu, Guanggen; Wang, Xiao; Zhu, Guili; Liu, Yongjiang; Fu, Shaomin; Liu, Bo","Total synthesis of (±)-epi-stemodan-13α,17-diol.","Organic & biomolecular chemistry","2019","17","19","4711","4714","10.1039/c9ob00661c","","x-ray","0.71073","MoKα","","0.1951","0.1359","","","0.3946","0.4337","","","","","","1.284","","","","has coordinates","225162","2020-10-21","18:00:00",""
"7156784","42.209","0.004","10.8705","0.0009","32.818","0.003","90","","124.056","0.003","90","","12475","2","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 N O3 -","- C40.605 H30.42 N2 O2.605 -","- C649.68 H486.72 N32 O41.68 -","16","2","","Purnachandar, Dalovai; Suneel, Kanaparthy; Balasubramanian, Sridhar; Karunakar, Galla V.","Gold-carbene assisted formation of tetraarylmethane derivatives: double X-H activation by gold.","Organic & biomolecular chemistry","2019","17","19","4856","4864","10.1039/c9ob00470j","","","0.71073","MoKα","","0.1098","0.0615","","","0.1504","0.1735","","","","","","1.027","","","","has coordinates","225155","2020-10-21","18:00:00",""
"7156785","8.217","0.0003","23.5453","0.0007","8.6771","0.0003","90","","96.908","0.004","90","","1666.59","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0554","0.047","","","0.1356","0.1463","","","","","","1.047","","","","has coordinates","225244","2020-10-21","18:00:00",""
"7156786","8.1912","0.0004","25.2962","0.0016","8.6202","0.0003","90","","94.497","0.004","90","","1780.66","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0736","0.0492","","","0.1321","0.1558","","","","","","1.026","","","","has coordinates","225244","2020-10-21","18:00:00",""
"7156787","12.2348","0.0012","6.8428","0.0007","23.447","0.002","90","","100.176","0.009","90","","1932.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.1232","0.0783","","","0.218","0.2779","","","","","","1.021","","","","has coordinates","225244","2020-10-21","18:00:00",""
"7156788","12.6928","0.0004","7.034","0.0003","21.7643","0.0008","90","","90","","90","","1943.14","0.13","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H17 Cl O2 -","- C24 H17 Cl O2 -","- C96 H68 Cl4 O8 -","4","0.5","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0932","0.0728","","","0.2076","0.2326","","","","","","1.054","","","","has coordinates,has disorder","225244","2020-10-21","18:00:00",""
"7156789","9.415","0.0006","10.3881","0.0007","11.1903","0.0007","78.293","0.006","85.937","0.005","65.446","0.006","974.66","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 O2 -","- C27 H18 O2 -","- C54 H36 O4 -","2","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0927","0.0531","","","0.139","0.1704","","","","","","1.018","","","","has coordinates","225244","2020-10-21","18:00:00",""
"7156790","10.4181","0.0005","9.807","0.0005","18.121","0.0007","90","","101.548","0.004","90","","1813.95","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 F O2 -","- C24 H17 F O2 -","- C96 H68 F4 O8 -","4","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0838","0.0586","","","0.1615","0.1846","","","","","","1.023","","","","has coordinates","225244","2020-10-21","18:00:00",""
"7156791","8.4865","0.0004","8.5936","0.0004","13.0039","0.0006","71.285","0.002","82.909","0.002","65.007","0.002","814.03","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C36 H36 O10 S2 -","2","1","","Chinta, Bhavani Shankar; Gandhi, Soniya; Baire, Beeraiah","Acid catalysed rearrangement of isobenzofurans to angularly fused phthalides.","Organic & biomolecular chemistry","2019","17","19","4715","4719","10.1039/c9ob00708c","","","0.71073","MoKα","","0.0548","0.0441","","","0.1038","0.1158","","","","","","1.033","","","","has coordinates","225151","2020-10-21","18:00:00",""
"7156792","11.9791","0.0002","13.0772","0.0002","22.8452","0.0004","90","","105.324","0.0007","90","","3451.54","0.1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N3 O5 S -","- C14.4 H19.2 N1.6 O1.6 S0.8 -","- C144 H192 N16 O16 S8 -","10","2.5","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","0.0912","0.0714","","","0.169","0.1839","","","","","","1.043","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156793","9.96514","0.00018","12.7027","0.0003","13.1411","0.0003","60.2937","0.0008","81.682","0.0009","81.684","0.0008","1424.48","0.05","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 F N3 O5 S -","- C14 H14.5 F0.5 N O2.5 S -","- C56 H58 F2 N4 O10 S4 -","4","2","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","","0.1185","","","","0.392","","","","","","1.535","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156794","6.0572","0.0003","12.5122","0.0005","24.3995","0.0009","90","","93.382","0.003","90","","1845.99","0.14","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N3 O5 S -","- C12.6667 H17.3333 N1.33333 O1.33333 S0.666667 -","- C76 H104 N8 O8 S4 -","6","1.5","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","0.0944","0.0731","","","0.166","0.1856","","","","","","1.097","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156795","12.202","0.0002","9.01705","0.00016","16.4287","0.0003","90","","103.693","0.001","90","","1756.21","0.05","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N3 O5 S -","- C13.3333 H14 N0.666667 O2 S0.666667 -","- C80 H84 N4 O12 S4 -","6","1.5","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","0.0465","0.0403","","","0.0999","0.1029","","","","","","1.049","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156796","6.13461","0.00018","13.8919","0.0005","10.4572","0.0004","90","","91.4472","0.0018","90","","890.89","0.05","296","","296","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H25 N2 O2 S -","- C18 H24 N2 O2 S -","- C36 H48 N4 O4 S2 -","2","1","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","","0.0446","","","","0.1357","","","","","","1.213","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156797","10.9913","0.0008","20.6489","0.0012","12.3839","0.0008","90","","99.075","0.006","90","","2775.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O9 S -","- C28 H26 N2 O9 S -","- C112 H104 N8 O36 S4 -","4","1","","Yi, Xiaofei; Chen, Kai; Chen, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Synthesis of cyclic gem-dinitro compounds via radical nitration of 1,6-diynes with Fe(NO<sub>3</sub>)<sub>3</sub>·9H<sub>2</sub>O.","Organic & biomolecular chemistry","2019","17","19","4725","4728","10.1039/c9ob00431a","","","0.71073","MoKα","","0.1144","0.0663","","","0.1751","0.2127","","","","","","1.014","","","","has coordinates","225157","2020-10-21","18:00:00",""
"7156798","16.5068","0.0007","12.2903","0.0006","29.5223","0.001","90","","90","","90","","5989.3","0.4","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H25 N3 O7 S -","- C33 H25 N3 O7 S -","- C264 H200 N24 O56 S8 -","8","1","","Yi, Xiaofei; Chen, Kai; Chen, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Synthesis of cyclic gem-dinitro compounds via radical nitration of 1,6-diynes with Fe(NO<sub>3</sub>)<sub>3</sub>·9H<sub>2</sub>O.","Organic & biomolecular chemistry","2019","17","19","4725","4728","10.1039/c9ob00431a","","","0.71073","MoKα","","0.0542","0.0382","","","0.0874","0.0973","","","","","","1.041","","","","has coordinates","225157","2020-10-21","18:00:00",""
"7156799","16.1433","0.0007","9.795","0.0004","16.3549","0.0007","90","","114.957","0.002","90","","2344.62","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N4 O9 S -","- C21 H20 N4 O9 S -","- C84 H80 N16 O36 S4 -","4","1","","Yi, Xiaofei; Chen, Kai; Chen, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Synthesis of cyclic gem-dinitro compounds via radical nitration of 1,6-diynes with Fe(NO<sub>3</sub>)<sub>3</sub>·9H<sub>2</sub>O.","Organic & biomolecular chemistry","2019","17","19","4725","4728","10.1039/c9ob00431a","","","0.71073","MoKα","","0.1113","0.0805","","","0.2259","0.2554","","","","","","1.101","","","","has coordinates","225157","2020-10-21","18:00:00",""
"7156800","20.4023","0.0013","16.0765","0.0013","11.2547","0.0007","90","","90","","90","","3691.5","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H14 N2 O0.07 -","- C13.1429 H9.71429 N1.71429 O0.571429 -","- C184 H136 N24 O8 -","14","3.5","","Bakthadoss, Manickam; Raman, Selvakumar; Mushaf, Mohammad","A rearrangement involving a solid-state melt reaction for the synthesis of multifunctional tetrasubstituted olefins.","Organic & biomolecular chemistry","2019","17","19","4767","4773","10.1039/c9ob00639g","","x-ray","0.71073","MoKα","","0.0945","0.0495","","","0.0987","0.1219","","","","","","1.025","","","","has coordinates","225153","2020-10-21","18:00:00",""
"7156801","12.0587","0.0008","15.518","0.0013","12.0126","0.0008","90","","117.134","0.002","90","","2000.5","0.3","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S2 -","- C23 H23 N O2 S2 -","- C92 H92 N4 O8 S8 -","4","1","","Liu, Caiyan; Shen, Yongli; Yuan, Kedong","Non-directed copper-catalyzed regioselective C-H sulfonylation of phenothiazines.","Organic & biomolecular chemistry","2019","17","20","5009","5013","10.1039/c9ob00705a","","x-ray","0.71073","MoKα","","0.0907","0.0579","","","0.1575","0.1804","","","","","","1.035","","","","has coordinates,has disorder","225186","2020-10-21","18:00:00",""
"7156802","12.5619","0.0002","19.642","0.0004","9.1574","0.0002","90","","100.832","0.002","90","","2219.25","0.08","299.83","0.1","299.83","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl0 N O S0.1 -","- C10 H8.8 N0.8 O0.8 S0.8 -","- C100 H88 N8 O8 S8 -","10","2.5","","Liu, Caiyan; Shen, Yongli; Yuan, Kedong","Non-directed copper-catalyzed regioselective C-H sulfonylation of phenothiazines.","Organic & biomolecular chemistry","2019","17","20","5009","5013","10.1039/c9ob00705a","","x-ray","1.54184","CuKα","","0.0599","0.0536","","","0.1551","0.1608","","","","","","1.082","","","","has coordinates","225186","2020-10-21","18:00:00",""
"7156803","7.6372","0.0006","7.6372","0.0006","23.721","0.002","90","","90","","120","","1198.21","0.17","293","2","293","2","","","","","","","","4","P 31","P 31","144","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C57 H48 N6 O9 -","3","1","","Wang, Xiaolong; Feng, Cancan; Yang, Fan; Wu, Yangjie","Pd(ii)-Catalyzed C8-H alkoxycarbonylmethylation of 1-naphthylamides with α-chloroalkyl esters.","Organic & biomolecular chemistry","2019","17","19","4865","4868","10.1039/c9ob00648f","","","1.54184","CuKα","","0.0477","0.0411","","","0.104","0.1119","","","","","","1.058","","","","has coordinates","225160","2020-10-21","18:00:00",""
"7156804","21.701","0.006","8.299","0.003","23.48","0.007","90","","115.537","0.004","90","","3816","2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H46 N2 O10 -","- C43 H46 N2 O10 -","- C172 H184 N8 O40 -","4","1","","Li, Kun-Ang; Wang, Zhuo; Xie, Chang-Dong; Chen, Tao; Qiang, Hui; Liu, Yahu A.; Jia, Xue-Shun; Hu, Wei-Bo; Wen, Ke","Unidirectional complexation of pillar[4]arene[1]benzoquinoneoxime with alkyl alcohols.","Organic & biomolecular chemistry","2019","17","20","4975","4978","10.1039/c9ob00665f","","","0.71073","MoKα","","0.1786","0.0831","","","0.2074","0.2594","","","","","","1.031","","","","has coordinates","225184","2020-10-21","18:00:00",""
"7156805","12.1968","0.0002","31.9446","0.0004","12.4129","0.0002","90","","119.137","0.002","90","","4224.34","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H54 N O11 -","- C47 H54 N O11 -","- C188 H216 N4 O44 -","4","1","","Li, Kun-Ang; Wang, Zhuo; Xie, Chang-Dong; Chen, Tao; Qiang, Hui; Liu, Yahu A.; Jia, Xue-Shun; Hu, Wei-Bo; Wen, Ke","Unidirectional complexation of pillar[4]arene[1]benzoquinoneoxime with alkyl alcohols.","Organic & biomolecular chemistry","2019","17","20","4975","4978","10.1039/c9ob00665f","","x-ray","1.54184","CuKα","","0.0714","0.0633","","","0.14","0.1441","","","","","","1.106","","","","has coordinates","225184","2020-10-21","18:00:00",""
"7156806","42.729","0.008","12.651","0.002","16.865","0.003","90","","95.628","0.008","90","","9073","3","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 N O12 -","- C47 H53 N O12 -","- C376 H424 N8 O96 -","8","1","","Li, Kun-Ang; Wang, Zhuo; Xie, Chang-Dong; Chen, Tao; Qiang, Hui; Liu, Yahu A.; Jia, Xue-Shun; Hu, Wei-Bo; Wen, Ke","Unidirectional complexation of pillar[4]arene[1]benzoquinoneoxime with alkyl alcohols.","Organic & biomolecular chemistry","2019","17","20","4975","4978","10.1039/c9ob00665f","","","0.71073","MoKα","","0.2285","0.131","","","0.3081","0.3451","","","","","","1.29","","","","has coordinates","225184","2020-10-21","18:00:00",""
"7156807","14.761","0.003","9.9736","0.0008","15.8257","0.0019","90","","90","","90","","2329.9","0.6","292.86","0.1","292.86","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","1","","Zhan, Zhenzhen; Ma, Haojie; Cui, Xinfeng; Jiang, Pengbo; Pu, Jinghong; Zhang, Yixin; Huang, Guosheng","Selective synthesis of (1H-benzo[d]imidazol-2-yl)(phenyl)methanone and quinoxaline from aromatic aldehyde and o-phenylenediamine.","Organic & biomolecular chemistry","2019","17","20","5148","5152","10.1039/c9ob00531e","","","0.71073","MoKα","","0.1334","0.068","","","0.1372","0.1848","","","","","","1.063","","","","has coordinates","225180","2020-10-21","18:00:00",""
"7156808","14.4474","0.0019","9.1512","0.001","9.2001","0.0012","90","","103.529","0.013","90","","1182.6","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl F3 N O -","- C11 H11 Cl F3 N O -","- C44 H44 Cl4 F12 N4 O4 -","4","1","","Huang, Yubing; Hong, Huanliang; Zou, Zirong; Liao, Chunshu; Lu, Jingjun; Qin, Yongwei; Li, Yibiao; Chen, Lu","Electrochemical vicinal aminotrifluoromethylation of alkenes: high regioselective acquisition of β-trifluoromethylamines.","Organic & biomolecular chemistry","2019","17","20","5014","5020","10.1039/c9ob00717b","","x-ray","0.71073","MoKα","","0.0646","0.0476","","","0.0988","0.1088","","","","","","1.071","","","","has coordinates","225188","2020-10-21","18:00:00",""
"7156809","12.47","0.003","11.66","0.002","16.913","0.004","90","","106.043","0.008","90","","2363.4","0.9","158","2","158","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O2 -","- C30 H28 N2 O2 -","- C120 H112 N8 O8 -","4","1","","Ali, Sk Asraf; Mondal, Suresh Kumar; Das, Tapas; Manna, Susanta Kumar; Bera, Anirban; Dafadar, Debabrata; Naskar, Sourenjit; Molla, Mijanur Rahaman; Samanta, Shubhankar","One-pot tandem cyclisation to pyrrolo[1,2-a][1,4]benzodiazepines: a modified approach to the Pictet-Spengler reaction.","Organic & biomolecular chemistry","2019","17","18","4652","4662","10.1039/c9ob00448c","","","0.71073","MoKα","","0.0751","0.0563","","","0.1389","0.1541","","","","","","1.033","","","","has coordinates","225248","2020-10-21","18:00:00",""
"7156810","7.6174","0.0003","26.721","0.0013","34.0314","0.0014","90","","90","","90","","6926.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 O2 S -","- C30 H24 O2 S -","- C360 H288 O24 S12 -","12","3","","Feng, Ze-Nan; Luo, Jin-Yun; Zhang, Yang; Du, Guang-Fen; He, Lin","N-Heterocyclic carbene-catalyzed diastereoselective synthesis of sulfenylated indanes via sulfa-Michael-Michael (aldol) cascade reactions.","Organic & biomolecular chemistry","2019","17","19","4700","4704","10.1039/c9ob00210c","","","0.71073","MoKα","","0.1403","0.0637","","","0.1007","0.1306","","","","","","1.031","","","","has coordinates","225152","2020-10-21","18:00:00",""
"7156811","10.3859","0.001","17.6141","0.001","22.8451","0.0019","90","","94.387","0.008","90","","4167","0.6","150","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dyad","","","- C56 H43 Fe N3 -","- C56 H43 Fe N3 -","- C224 H172 Fe4 N12 -","4","1","","Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli","Covalently linked meso-tetraaryl triphyrin(2.1.1)-ferrocene(s) conjugates: synthesis and properties.","Organic & biomolecular chemistry","2019","17","20","5066","5074","10.1039/c9ob00647h","","x-ray","0.71073","MoKα","","0.4362","0.1807","","","0.3922","0.5288","","","","","","1.106","","","","has coordinates","225179","2020-10-21","18:00:00",""
"7156812","12.3938","0.0004","14.5761","0.0008","18.8153","0.0011","79.216","0.005","89.365","0.004","75.485","0.004","3230.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N3 O S -","- C18 H17 N3 O S -","- C144 H136 N24 O8 S8 -","8","4","","Guo, Jun-Ru; Gong, Jun-Fang; Song, Mao-Ping","Nickel(ii)-catalyzed C(sp<sup>2</sup>)-H sulfuration/annulation with elemental sulfur: selective access to benzoisothiazolones.","Organic & biomolecular chemistry","2019","17","20","5029","5037","10.1039/c9ob00449a","","x-ray","1.54184","CuKα","","0.0959","0.0787","","","0.2182","0.2302","","","","","","1.096","","","","has coordinates","225181","2020-10-21","18:00:00",""
"7156813","15.5752","0.0005","15.9896","0.0008","43.3052","0.0015","90","","90","","90","","10784.8","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61 H79 B2 Li O4 -","- C61 H79 B2 Li O4 -","- C488 H632 B16 Li8 O32 -","8","1","","Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.","Organic & biomolecular chemistry","2019","17","20","5060","5065","10.1039/c9ob00618d","","","0.71073","MoKα","","0.1445","0.0788","","","0.1614","0.1864","","","","","","1.049","","","","has coordinates,has disorder","225187","2020-10-21","18:00:00",""
"7156814","5.7975","0.0006","21.031","0.0017","10.4761","0.0009","90","","93.583","0.007","90","","1274.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 B2 O4 -","- C30 H26 B2 O4 -","- C60 H52 B4 O8 -","2","0.5","","Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.","Organic & biomolecular chemistry","2019","17","20","5060","5065","10.1039/c9ob00618d","","","0.71073","MoKα","","0.0621","0.0483","","","0.1272","0.1351","","","","","","1.032","","","","has coordinates","265215","2021-05-14","09:24:14",""
"7156815","12.764","0.002","12.784","0.002","14.741","0.003","93.062","0.013","91.927","0.013","96.748","0.012","2383.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H66 B Li O4 -","- C58 H66 B Li O4 -","- C116 H132 B2 Li2 O8 -","2","1","","Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.","Organic & biomolecular chemistry","2019","17","20","5060","5065","10.1039/c9ob00618d","","","0.71073","MoKα","","0.1671","0.0881","","","0.167","0.1902","","","","","","1.162","","","","has coordinates,has disorder","225187","2020-10-21","18:00:00",""
"7156816","11.0838","0.0015","11.5129","0.0014","12.6492","0.0017","114.953","0.009","98.468","0.011","98.014","0.01","1410.5","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 B Cl3 O -","- C34 H24 B Cl3 O -","- C68 H48 B2 Cl6 O2 -","2","1","","Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.","Organic & biomolecular chemistry","2019","17","20","5060","5065","10.1039/c9ob00618d","","","0.71073","MoKα","","0.2127","0.0966","","","0.1969","0.2301","","","","","","1.08","","","","has coordinates","265215","2021-05-14","09:24:16",""
"7156817","7.4796","0.0007","8.7825","0.0008","14.3379","0.0014","79.991","0.008","78.903","0.008","89.752","0.007","909.76","0.15","152","1","152","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 F N2 O -","- C22 H21 F N2 O -","- C44 H42 F2 N4 O2 -","2","1","","Sawengngen, Nattawut; Chalikidi, Petrakis N.; Araby, Sara; Hampel, Frank; Gmeiner, Peter; Serdyuk, Olga V.","Synthesis of pyrazolylvinyl ketones from furan derivatives.","Organic & biomolecular chemistry","2019","17","19","4850","4855","10.1039/c9ob00701f","","x-ray","1.54184","CuKα","","0.063","0.0497","","","0.1258","0.1403","","","","","","1.036","","","","has coordinates","225158","2020-10-21","18:00:00",""
"7156818","4.84497","0.00009","20.0214","0.0004","15.7697","0.0003","90","","96.9103","0.0018","90","","1518.6","0.05","108.9","0.7","108.9","0.7","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Liu, Can; Zhu, Xianjin; Han, Yongzhen; Yang, Haijun; Zhu, Changjin; Fu, Hua","Superbase-promoted selective carbon-carbon bond cleavage driven by aromatization.","Organic & biomolecular chemistry","2019","17","20","4984","4989","10.1039/c9ob00606k","","x-ray","1.54184","CuKα","","0.0501","0.0406","","","0.101","0.1083","","","","","","1.017","","","","has coordinates","225183","2020-10-21","18:00:00",""
"7156819","10.4005","0.0015","17.879","0.003","22.883","0.003","90","","95.991","0.003","90","","4231.9","1.1","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 N4 O12 -","- C44 H48 N4 O12 -","- C176 H192 N16 O48 -","4","1","","Ma, Jiao-Xia; Fang, Xu; Xue, Min; Yang, Yong","Synthesis, structure, and anion binding of functional oxacalix[4]arenes.","Organic & biomolecular chemistry","2019","17","20","5075","5085","10.1039/c9ob00613c","","","0.71073","MoKα","","0.1327","0.0588","","","0.118","0.1501","","","","","","1.022","","","","has coordinates","225182","2020-10-21","18:00:00",""
"7156820","9.7079","0.0011","14.071","0.0018","20.822","0.003","90","","90","","90","","2844.3","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H16 N4 O16 -","- C28 H16 N4 O16 -","- C112 H64 N16 O64 -","4","1","","Ma, Jiao-Xia; Fang, Xu; Xue, Min; Yang, Yong","Synthesis, structure, and anion binding of functional oxacalix[4]arenes.","Organic & biomolecular chemistry","2019","17","20","5075","5085","10.1039/c9ob00613c","","","0.71073","MoKα","","0.0776","0.0374","","","0.0817","0.1031","","","","","","1.06","","","","has coordinates,has disorder","225182","2020-10-21","18:00:00",""
"7156821","8.71","0.004","11.844","0.006","13.132","0.006","94.145","0.009","105.695","0.004","103.095","0.009","1257.3","1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 N4 O16 -","- C48 H52 N4 O16 -","- C48 H52 N4 O16 -","1","0.5","","Ma, Jiao-Xia; Fang, Xu; Xue, Min; Yang, Yong","Synthesis, structure, and anion binding of functional oxacalix[4]arenes.","Organic & biomolecular chemistry","2019","17","20","5075","5085","10.1039/c9ob00613c","","","0.7107","MoKα","","0.0559","0.0384","","","0.0987","0.1068","","","","","","0.941","","","","has coordinates","225182","2020-10-21","18:00:00",""
"7156822","18.4591","0.0005","18.4591","0.0005","40.8718","0.0014","90","","90","","90","","13926.6","0.7","173","2","173.15","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C72 H51 B F24 Ir N2 P -","- C72 H51 B F24 Ir N2 P -","- C576 H408 B8 F192 Ir8 N16 P8 -","8","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","","0.71073","MoKα","","0.0734","0.0679","","","0.108","0.1095","","","","","","1.271","","","","has coordinates,has disorder","225189","2020-10-21","18:00:00",""
"7156823","12.8895","0.0001","18.6285","0.0002","13.366","0.0001","90","","93.067","0.001","90","","3204.74","0.05","170","0.1","170","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H51 B F24 Ir N2 P -","- C68 H51 B F24 Ir N2 P -","- C136 H102 B2 F48 Ir2 N4 P2 -","2","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","x-ray","0.71073","MoKα","","0.0281","0.0264","","","0.0671","0.0676","","","","","","1.03","","","","has coordinates","225189","2020-10-21","18:00:00",""
"7156824","9.18906","0.00005","17.8998","0.0001","11.33563","0.00006","90","","92.2391","0.0005","90","","1863.09","0.018","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","2","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","x-ray","1.54184","CuKα","","0.0364","0.0355","","","0.0931","0.0946","","","","","","1.034","","","","has coordinates","225189","2020-10-21","18:00:00",""
"7156825","7.6291","0.0001","10.743","0.0002","13.7168","0.0002","86.396","0.001","79.04","0.001","84.807","0.001","1097.99","0.03","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O2 S -","- C27 H24 N2 O2 S -","- C54 H48 N4 O4 S2 -","2","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","x-ray","0.71073","MoKα","","0.041","0.0362","","","0.103","0.1063","","","","","","1.071","","","","has coordinates","225189","2020-10-21","18:00:00",""
"7156826","18.457","0.003","18.457","0.003","41.453","0.008","90","","90","","90","","14121","4","173","2","173.15","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C72 H57 B F24 Ir N2 P -","- C72 H57 B F24 Ir N2 P -","- C576 H456 B8 F192 Ir8 N16 P8 -","8","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","","0.71073","MoKα","","0.0957","0.09","","","0.1633","0.1652","","","","","","1.303","","","","has coordinates,has disorder","225189","2020-10-21","18:00:00",""
"7156827","23.533","0.002","10.2022","0.0011","16.6772","0.0018","90","","120.507","0.006","90","","3449.7","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 B F2 N2 O -","- C19 H17 B F2 N2 O -","- C152 H136 B8 F16 N16 O8 -","8","1","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan","Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.","Organic & biomolecular chemistry","2019","17","20","5121","5128","10.1039/c9ob00927b","","","0.71073","MoKα","","0.0956","0.0609","","","0.1484","0.1661","","","","","","1.039","","","","has coordinates","291311","2024-04-22","12:38:04",""
"7156828","10.4898","0.001","13.5801","0.0013","20.312","0.002","101.032","0.001","98.314","0.001","96.277","0.001","2782.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 B F2 N2 O -","- C16 H11 B F2 N2 O -","- C128 H88 B8 F16 N16 O8 -","8","4","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan","Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.","Organic & biomolecular chemistry","2019","17","20","5121","5128","10.1039/c9ob00927b","","","0.71073","MoKα","","0.1492","0.0686","","","0.1333","0.1683","","","","","","0.987","","","","has coordinates","291311","2024-04-22","12:38:04",""
"7156829","10.5781","0.001","24.622","0.002","10.7523","0.0011","90","","103.295","0.001","90","","2725.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 B F2 N2 O2 -","- C32 H25 B F2 N2 O2 -","- C128 H100 B4 F8 N8 O8 -","4","1","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan","Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.","Organic & biomolecular chemistry","2019","17","20","5121","5128","10.1039/c9ob00927b","","","0.71073","MoKα","","0.0944","0.053","","","0.1272","0.1466","","","","","","1.038","","","","has coordinates","291311","2024-04-22","12:38:04",""
"7156830","12.522","0.003","15.93","0.004","13.262","0.003","90","","114.631","0.003","90","","2404.7","1","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2017","","- C1.69 H1.38 B0.12 F0.25 N0.25 -","- C1.6875 H1.375 B0.125 F0.25 N0.25 -","- C108 H88 B8 F16 N16 -","64","16","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan","Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.","Organic & biomolecular chemistry","2019","17","20","5121","5128","10.1039/c9ob00927b","","x-ray","0.71073","MoKα","","0.1884","0.0823","","","0.2292","0.2878","","","","","","0.887","","","","has coordinates","291311","2024-04-22","12:38:04",""
"7156831","8.5801","0.0005","10.7434","0.0008","19.1136","0.0012","90.562","0.006","95.92","0.005","97.534","0.006","1736.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C76 H76 N4 O12 S4 -","4","2","","Kramer, Philipp; Krieg, Sara-Cathrin; Kelm, Harald; Manolikakes, Georg","Manganese(iii) acetate-mediated direct C(sp<sup>2</sup>)-H-sulfonylation of enamides with sodium and lithium sulfinates.","Organic & biomolecular chemistry","2019","17","22","5538","5544","10.1039/c9ob00825j","","","1.54184","CuKα","","0.0646","0.045","","","0.1093","0.121","","","","","","1.015","","","","has coordinates","225054","2020-10-21","18:00:00",""
"7156832","10.1301","0.0002","6.6395","0.0001","23.1337","0.0005","90","","91.894","0.002","90","","1555.09","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Kramer, Philipp; Krieg, Sara-Cathrin; Kelm, Harald; Manolikakes, Georg","Manganese(iii) acetate-mediated direct C(sp<sup>2</sup>)-H-sulfonylation of enamides with sodium and lithium sulfinates.","Organic & biomolecular chemistry","2019","17","22","5538","5544","10.1039/c9ob00825j","","","1.54184","CuKα","","0.0376","0.0351","","","0.0946","0.0972","","","","","","1.052","","","","has coordinates","225054","2020-10-21","18:00:00",""
"7156833","11.164","0.012","12.003","0.013","17.508","0.018","90","","99.033","0.013","90","","2317","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H104 N8 O24 -","- C96 H104 N8 O24 -","- C96 H104 N8 O24 -","1","0.25","","Sun, Fang; Yin, Tingrui; Feng, Anni; Hu, Yong; Yu, Chenxia; Li, Tuanjie; Yao, Changsheng","Base-promoted regiodivergent allylation of N-acylhydrazones with Morita-Baylis-Hillman carbonates by tuning the catalyst.","Organic & biomolecular chemistry","2019","17","21","5283","5293","10.1039/c9ob00194h","","","0.71073","MoKα","","0.082","0.0531","","","0.1519","0.1744","","","","","","1.035","","","","has coordinates","225256","2020-10-21","18:00:00",""
"7156834","6.9301","0.0003","12.5301","0.0007","17.0571","0.001","85.888","0.005","88.194","0.004","79.004","0.004","1449.97","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O6 -","- C15 H15 N O6 -","- C60 H60 N4 O24 -","4","2","","Zhao, Jian-Qiang; Yang, Lei; You, Yong; Wang, Zhen-Hua; Xie, Ke-Xin; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Phosphine-catalyzed dearomative (3 + 2) annulation of 2-nitrobenzofurans and nitrobenzothiophenes with allenoates.","Organic & biomolecular chemistry","2019","17","21","5294","5304","10.1039/c9ob00775j","","x-ray","1.54184","CuKα","","0.0633","0.0496","","","0.1333","0.148","","","","","","1.039","","","","has coordinates,has disorder","225261","2020-10-21","18:00:00",""
"7156835","6.6617","0.0005","6.6834","0.0005","22.736","0.002","90","","95.148","0.006","90","","1008.19","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)formamide","","- C10 H10 F3 N O2 -","- C10 H10 F3 N O2 -","- C40 H40 F12 N4 O8 -","4","2","","Otevrel, Jan; Svestka, David; Bobal, Pavel","Bianthryl-based organocatalysts for the asymmetric Henry reaction of fluoroketones.","Organic & biomolecular chemistry","2019","17","21","5244","5248","10.1039/c9ob00884e","","","0.71073","MoKα","","0.0342","0.0315","","","0.0731","0.0748","","","","","","0.965","","","","has coordinates","225258","2020-10-21","18:00:00",""
"7156836","15.676","0.004","5.9027","0.0013","16.875","0.004","90","","104.625","0.007","90","","1510.9","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H41 N O4 -","- C36 H41 N O4 -","- C72 H82 N2 O8 -","2","1","","Jiang, Chunfeng; Liu, Quan; Liu, Jiaming; Liu, Kaixuan; Tian, Liangliang; Duan, Mingfei; Wang, Ying; Shen, Zhufang; Xu, Youjun","Selective synthesis of 3-deoxy-5-hydroxy-1-amino-carbasugars as potential α-glucosidase inhibitors.","Organic & biomolecular chemistry","2019","17","21","5381","5391","10.1039/c9ob00762h","","","0.71073","MoKα","","0.106","0.0555","","","0.1068","0.1326","","","","","","0.927","","","","has coordinates","225259","2020-10-21","18:00:00",""
"7156837","9.9148","0.0003","10.2958","0.0003","14.4151","0.0005","90","","109.169","0.002","90","","1389.92","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H23 Br F3 N4 O2 -","- C33 H23 Br F3 N4 O2 -","- C66 H46 Br2 F6 N8 O4 -","2","1","","Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin","The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2019","17","22","5514","5519","10.1039/c9ob00720b","","","1.54178","CuKα","","0.0275","0.0261","","","0.0595","0.0605","","","","","","1.002","","","","has coordinates","225053","2020-10-21","18:00:00",""
"7156838","10.1503","0.0006","7.5835","0.0004","17.626","0.001","90","","93.768","0.002","90","","1353.82","0.13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H23 Br F3 N4 O2 -","- C33 H23 Br F3 N4 O2 -","- C66 H46 Br2 F6 N8 O4 -","2","1","","Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin","The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2019","17","22","5514","5519","10.1039/c9ob00720b","","","1.54178","CuKα","","0.0282","0.027","","","0.0612","0.0621","","","","","","1","","","","has coordinates","225053","2020-10-21","18:00:00",""
"7156839","10.1089","0.0005","12.9197","0.0006","14.1096","0.0007","105.902","0.002","108.629","0.002","106.656","0.002","1531.34","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H23 Cl F3 N4 O2 -","- C33 H23 Cl F3 N4 O2 -","- C66 H46 Cl2 F6 N8 O4 -","2","1","","Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin","The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2019","17","22","5514","5519","10.1039/c9ob00720b","","","1.54178","CuKα","","0.0533","0.0474","","","0.1395","0.1455","","","","","","1.001","","","","has coordinates","225053","2020-10-21","18:00:00",""
"7156840","19.549","0.0016","9.8719","0.0008","10.8488","0.0008","90","","90","","90","","2093.7","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 I2 O P -","- C22 H19 I2 O P -","- C88 H76 I8 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0351","0.0347","","","0.1018","0.1021","","","","","","1.123","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156841","8.3026","0.0002","8.563","0.0002","30.125","0.0008","90","","90","","90","","2141.74","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 I N3 O2 P -","- C22 H19 I N3 O2 P -","- C88 H76 I4 N12 O8 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","1.54184","CuKα","","0.0488","0.0476","","","0.1251","0.1264","","","","","","1.03","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156842","8.209","0.003","16.624","0.007","15.715","0.006","90","","92.215","0.006","90","","2143","1.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 I N3 O P -","- C22 H19 I N3 O P -","- C88 H76 I4 N12 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0295","0.0268","","","0.0682","0.0698","","","","","","1.086","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156843","9.1543","0.0003","10.061","0.0004","22.0753","0.0009","90","","91.464","0.003","90","","2032.5","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 I N3 O P -","- C21 H17 I N3 O P -","- C84 H68 I4 N12 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","1.54184","CuKα","","0.0774","0.0726","","","0.19","0.1985","","","","","","1.027","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156844","8.9643","0.0004","11.6596","0.0006","14.2643","0.0007","69.832","0.002","71.872","0.002","79.193","0.002","1324.64","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 I N3 O P -","- C30 H25 I N3 O P -","- C60 H50 I2 N6 O2 P2 -","2","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0354","0.0293","","","0.079","0.0875","","","","","","1.137","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156845","8.2639","0.0011","8.504","0.0013","29.114","0.005","90","","96.974","0.005","90","","2030.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl F I O P -","- C21 H16 Cl F I O P -","- C84 H64 Cl4 F4 I4 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0918","0.0516","","","0.0947","0.1046","","","","","","1.061","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156846","8.2948","0.0019","26.144","0.006","14.533","0.003","90","","94.408","0.004","90","","3142.3","1.2","273","2","273","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H19 F I O2 P -","- C22 H19 F I O2 P -","- C132 H114 F6 I6 O12 P6 -","6","3","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0933","0.0715","","","0.17","0.1844","","","","","","0.948","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156847","16.7231","0.0017","7.852","0.0008","12.4005","0.0017","90","","103.7","0.013","90","","1582","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 F I O3 P -","- C14 H17 F I O3 P -","- C56 H68 F4 I4 O12 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0688","0.0536","","","0.1426","0.1714","","","","","","1.062","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156848","9.115","0.0007","10.399","0.001","19.1186","0.0018","90","","92.325","0.004","90","","1810.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 I2 O3 P -","- C15 H17 I2 O3 P -","- C60 H68 I8 O12 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.088","0.0869","","","0.26","0.2603","","","","","","1.195","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156849","29.548","0.004","8.3033","0.0008","8.5609","0.0011","90","","90","","90","","2100.4","0.4","297","2","297","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl I N3 O P -","- C21 H16 Cl I N3 O P -","- C84 H64 Cl4 I4 N12 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0974","0.078","","","0.2043","0.2136","","","","","","1.121","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156850","9.6921","0.0013","9.8549","0.0012","11.1815","0.0015","90","","107.996","0.004","90","","1015.7","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 F I O P -","- C22 H19 F I O P -","- C44 H38 F2 I2 O2 P2 -","2","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0319","0.0308","","","0.0935","0.0944","","","","","","1.142","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156851","8.0352","0.0017","12.627","0.003","33.738","0.01","90","","90","","90","","3423.1","1.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N3 -","- C23 H19 N3 -","- C184 H152 N24 -","8","1","","Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.","Organic & biomolecular chemistry","2019","17","22","5505","5508","10.1039/c9ob00740g","","","1.54178","CuKα","","0.0368","0.0321","","","0.0801","0.0828","","","","","","1.059","","","","has coordinates","225057","2020-10-21","18:00:00",""
"7156852","9.6209","0.0008","10.4364","0.0008","14.6138","0.0012","87.2358","0.0013","82.3312","0.0013","64.4367","0.0012","1311.79","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H26 Cl N3 O -","- C30.5 H26 Cl N3 O -","- C61 H52 Cl2 N6 O2 -","2","1","","Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.","Organic & biomolecular chemistry","2019","17","22","5505","5508","10.1039/c9ob00740g","","","0.71073","MoKα","","0.1104","0.0726","","","0.1863","0.2137","","","","","","1.049","","","","has coordinates,has disorder","225057","2020-10-21","18:00:00",""
"7156853","21.9776","0.0014","8.2312","0.0005","15.9421","0.0011","90","","94.9609","0.0012","90","","2873.2","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Br N3 O -","- C17 H12 Br N3 O -","- C136 H96 Br8 N24 O8 -","8","1","","Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.","Organic & biomolecular chemistry","2019","17","22","5505","5508","10.1039/c9ob00740g","","","0.71073","MoKα","","0.0639","0.0372","","","0.0774","0.086","","","","","","1.023","","","","has coordinates","225057","2020-10-21","18:00:00",""
"7156854","9.4665","0.001","10.3663","0.0011","12.9597","0.0014","101.761","0.003","90.841","0.003","113.945","0.003","1131.2","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 N3 O2 -","- C28 H23 N3 O2 -","- C56 H46 N6 O4 -","2","1","","Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.","Organic & biomolecular chemistry","2019","17","22","5505","5508","10.1039/c9ob00740g","","","0.71073","MoKα","","0.1169","0.0592","","","0.1261","0.1526","","","","","","1.008","","","","has coordinates","225057","2020-10-21","18:00:00",""
"7156855","8.1","0.001","9.6228","0.0012","14.778","0.0018","98.898","0.002","99.647","0.002","113.901","0.002","1006","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O2 S -","- C24 H21 N O2 S -","- C48 H42 N2 O4 S2 -","2","1","","Sunil, Komalla; Thummala, Yadagiri; Dalovai, Purnachandar; Balasubramanian, Sridhar; Karunakar, Galla V.","A gold-catalyzed facile intramolecular rearrangement and cyclization sequence for synthesis of 2,5-dihydrofurans.","Organic & biomolecular chemistry","2019","17","24","6015","6024","10.1039/c9ob00756c","","","0.71073","MoKα","","0.0923","0.0653","","","0.1523","0.1667","","","","","","1.105","","","","has coordinates","225040","2020-10-21","18:00:00",""
"7156856","10.6779","0.0002","10.889","0.0002","36.8908","0.0007","90","","90","","90","","4289.35","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H24 B N -","- C30 H24 B N -","- C240 H192 B8 N8 -","8","1","","Ando, Mikinori; Sakai, Mika; Ando, Naoki; Hirai, Masato; Yamaguchi, Shigehiro","Planarized B,N-phenylated dibenzoazaborine with a carbazole substructure: electronic impact of the structural constraint.","Organic & biomolecular chemistry","2019","17","22","5500","5504","10.1039/c9ob00934e","","","0.71073","MoKa","","0.0453","0.0416","","","0.1091","0.1119","","","","","","1.026","","","","has coordinates","225058","2020-10-21","18:00:00",""
"7156857","26.0787","0.0016","18.5482","0.0005","11.033","0.0005","90","","103.001","0.006","90","","5200","0.4","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 B Cl3 N -","- C31 H27 B Cl3 N -","- C248 H216 B8 Cl24 N8 -","8","2","","Ando, Mikinori; Sakai, Mika; Ando, Naoki; Hirai, Masato; Yamaguchi, Shigehiro","Planarized B,N-phenylated dibenzoazaborine with a carbazole substructure: electronic impact of the structural constraint.","Organic & biomolecular chemistry","2019","17","22","5500","5504","10.1039/c9ob00934e","","","0.71073","MoKa","","0.0636","0.045","","","0.1026","0.1112","","","","","","1.014","","","","has coordinates","225058","2020-10-21","18:00:00",""
"7156858","14.8017","0.0012","18.2064","0.0015","20.8364","0.0018","92.0893","0.0011","104.083","0.0011","111.301","0.001","5025.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C74.18 H83.2 N28 Na3.31 O37.45 S4 -","- C74.187 H83.205 N28 Na3.314 O37.447 S4 -","- C148.374 H166.41 N56 Na6.628 O74.894 S8 -","2","1","","Xue, Weijian; Zavalij, Peter Y.; Isaacs, Lyle","Triazole functionalized acyclic cucurbit[n]uril-type receptors: host·guest recognition properties.","Organic & biomolecular chemistry","2019","17","22","5561","5569","10.1039/c9ob00906j","","","0.71073","MoKα","","0.1519","0.1205","","","0.2253","0.2399","","","","","","1.094","","","","has coordinates,has disorder","225060","2020-10-21","18:00:00",""
"7156859","22.6003","0.0004","12.4998","0.0002","22.7021","0.0004","90","","104.127","0.001","90","","6219.37","0.19","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H82 Cu2 N4 O4 S2 -","- C64 H82 Cu2 N4 O4 S2 -","- C256 H328 Cu8 N16 O16 S8 -","4","1","","Jang, Won Jun; Kang, Byung-Nam; Lee, Ji Hun; Choi, Yoon Mi; Kim, Chong-Hyeak; Yun, Jaesook","NHC-copper-thiophene-2-carboxylate complex for the hydroboration of terminal alkynes.","Organic & biomolecular chemistry","2019","17","21","5249","5252","10.1039/c9ob00839j","","","0.71073","MoKα","","0.0596","0.0403","","","0.1129","0.1251","","","","","","1.052","","","","has coordinates,has disorder","225257","2020-10-21","18:00:00",""
"7156860","8.8036","0.0018","10.75","0.002","11.597","0.002","74.87","0.03","89.66","0.03","71.84","0.03","1003.3","0.4","153","2","153.15","","","","","","","","","6","P -1","-P 1","2","","(2'S,3R,3'S)-3'-(4-bromophenyl)-2''-phenyl-4''H-dispiro[indoline-3,1'-cyclopropane-2',5''-thiazole]-2,4''-dione","","- C24 H15 Br N2 O2 S -","- C24 H15 Br N2 O2 S -","- C48 H30 Br2 N4 O4 S2 -","2","1","","Song, Yong-Xing; Du, Da-Ming","Asymmetric synthesis of spirooxindole-fused spirothiazolones via squaramide-catalysed reaction of 3-chlorooxindoles with 5-alkenyl thiazolones.","Organic & biomolecular chemistry","2019","17","21","5375","5380","10.1039/c9ob00998a","","","0.71073","MoKα","","0.0421","0.0386","","","0.0916","0.0942","","","","","","1.05","","","","has coordinates","225260","2020-10-21","18:00:00",""
"7156861","6.8998","0.0002","11.7197","0.0003","26.4465","0.0006","90","","90","","90","","2138.56","0.1","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl F N2 O3 S -","- C23 H24 Cl F N2 O3 S -","- C92 H96 Cl4 F4 N8 O12 S4 -","4","1","","Panduwawala, Tharindi D.; Iqbal, Sarosh; Thompson, Amber L.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Liu, Shuang; Ebright, Richard H.; Howells, Alison; Maxwell, Anthony; Moloney, Mark G.","Functionalised bicyclic tetramates derived from cysteine as antibacterial agents.","Organic & biomolecular chemistry","2019","17","22","5615","5632","10.1039/c9ob01076a","","","1.5418","CuKα","","0.0263","0.0257","","0.0689","0.0681","0.0689","","","","","","1.0068","","","","has coordinates","225056","2020-10-21","18:00:00",""
"7156862","7.5793","0.0003","15.2528","0.0005","15.4509","0.0005","90","","90","","90","","1786.21","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O4 S -","- C21 H22 O4 S -","- C84 H88 O16 S4 -","4","1","","Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar","TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides.","Organic & biomolecular chemistry","2019","17","23","5749","5759","10.1039/c9ob00649d","","","0.71073","MoKα","","0.0357","0.0308","","","0.0818","0.0873","","","","","","1.099","","","","has coordinates,has disorder","225249","2020-10-21","18:00:00",""
"7156863","18.466","0.002","9.1472","0.0009","13.5472","0.0015","90","","90.909","0.004","90","","2288","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","1","","Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar","TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides.","Organic & biomolecular chemistry","2019","17","23","5749","5759","10.1039/c9ob00649d","","","0.71073","MoKα","","0.1001","0.0736","","","0.1245","0.134","","","","","","1.156","","","","has coordinates","225249","2020-10-21","18:00:00",""
"7156864","7.3474","0.0004","13.1574","0.0008","14.7373","0.0009","65.265","0.002","78.643","0.002","79.941","0.002","1261.82","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","2","","Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar","TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides.","Organic & biomolecular chemistry","2019","17","23","5749","5759","10.1039/c9ob00649d","","","0.71073","MoKα","","0.0479","0.0424","","","0.1094","0.1136","","","","","","1.056","","","","has coordinates","225249","2020-10-21","18:00:00",""
"7156865","11.638","0.004","14.774","0.006","14.105","0.005","90","","101.385","0.01","90","","2377.5","1.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N4 O3 S -","- C27 H22 N4 O3 S -","- C108 H88 N16 O12 S4 -","4","1","","Jana, Asim; Bhaumick, Prabhas; Panday, Anoop Kumar; Mishra, Richa; Choudhury, Lokman H.","I<sub>2</sub>/DMSO mediated multicomponent reaction for the synthesis of 2-arylbenzo[d]imidazo[2,1-b] thiazole derivatives.","Organic & biomolecular chemistry","2019","17","21","5316","5330","10.1039/c9ob00515c","","","0.71073","MoKα","","0.1627","0.0671","","","0.1318","0.1679","","","","","","1.023","","","","has coordinates","225255","2020-10-21","18:00:00",""
"7156866","10.9535","0.0005","7.9162","0.0003","11.9942","0.0005","90","","98.836","0.004","90","","1027.68","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H14 F2 O4 -","- C9 H14 F2 O4 -","- C36 H56 F8 O16 -","4","2","","Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno","Synthesis of vicinal dideoxy-difluorinated galactoses.","Organic & biomolecular chemistry","2019","17","21","5331","5340","10.1039/c9ob00707e","","x-ray","0.71073","MoKα","","0.0477","0.0404","","","0.0907","0.0943","","","","","","1.041","","","","has coordinates","225254","2020-10-21","18:00:00",""
"7156867","5.6134","0.0002","10.6394","0.0003","21.7983","0.0005","90","","90","","90","","1301.86","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F2 O3 -","- C6 H8 F2 O3 -","- C48 H64 F16 O24 -","8","2","","Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno","Synthesis of vicinal dideoxy-difluorinated galactoses.","Organic & biomolecular chemistry","2019","17","21","5331","5340","10.1039/c9ob00707e","","x-ray","0.71073","MoKα","","0.0297","0.0274","","","0.0666","0.0674","","","","","","1.069","","","","has coordinates","225254","2020-10-21","18:00:00",""
"7156868","8.3866","0.0002","8.4182","0.0002","10.232","0.0002","90","","90","","90","","722.38","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 F2 O4 -","- C6 H10 F2 O4 -","- C24 H40 F8 O16 -","4","1","","Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno","Synthesis of vicinal dideoxy-difluorinated galactoses.","Organic & biomolecular chemistry","2019","17","21","5331","5340","10.1039/c9ob00707e","","x-ray","0.71073","MoKα","","0.0223","0.0218","","","0.0606","0.0609","","","","","","1.065","","","","has coordinates","225254","2020-10-21","18:00:00",""
"7156869","21.893","0.002","16.15","0.001","20.433","0.001","90","","95.293","0.005","90","","7193.7","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C100 H35 O20 -","- C111 H58 O10 -","- C444 H232 O40 -","4","1","","Kraevaya, Ol'ga A.; Peregudov, Alexander S.; Troyanov, Sergey I.; Godovikov, Ivan; Fedorova, Natalya E.; Klimova, Regina R.; Sergeeva, Vasilina A.; Kameneva, Larisa V.; Ershova, Elizaveta S.; Martynenko, Vyacheslav M.; Claes, Sandra; Kushch, Alla A.; Kostyuk, Svetlana V.; Schols, Dominique; Shestakov, Alexander F.; Troshin, Pavel A.","Diversion of the Arbuzov reaction: alkylation of C-Cl instead of phosphonic ester formation on the fullerene cage.","Organic & biomolecular chemistry","2019","17","30","7155","7160","10.1039/c9ob00593e","","","0.895","synchrotron","","0.2316","0.1818","","","0.3751","0.3908","","","","","","1.011","","","","has coordinates","225228","2020-10-21","18:00:00",""
"7156870","9.164","0.0012","10.0512","0.0013","28.621","0.004","90","","90.278","0.005","90","","2636.2","0.6","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N O3 P -","- C31 H30 N O3 P -","- C124 H120 N4 O12 P4 -","4","1","","Boureghda, Chaima; Macé, Aurélie; Berrée, Fabienne; Roisnel, Thierry; Debache, Abdelmadjid; Carboni, Bertrand","Ene reactions of 2-borylated α-methylstyrenes: a practical route to 4-methylenechromanes and derivatives.","Organic & biomolecular chemistry","2019","17","23","5789","5800","10.1039/c9ob00963a","","x-ray","0.71073","MoKα","","0.1164","0.1019","","","0.2171","0.2239","","","","","","1.172","","","","has coordinates","225253","2020-10-21","18:00:00",""
"7156871","13.7694","0.0004","12.6853","0.0004","16.4364","0.0005","90","","107.839","0.003","90","","2732.9","0.15","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","1","","Wu, Mingchang; Yang, Junhang; Luo, Fang; Cheng, Cungui; Zhu, Gangguo","Iron-catalyzed domino Knoevenagel-hetero-Diels-Alder reaction: facile access to oxabicyclo[3.3.1]nonene derivatives.","Organic & biomolecular chemistry","2019","17","23","5684","5687","10.1039/c9ob00836e","","","0.71073","MoKα","","0.1042","0.0743","","","0.2455","0.2738","","","","","","1.879","","","","has coordinates","225251","2020-10-21","18:00:00",""
"7156872","8.1811","0.0005","12.0413","0.0009","12.5311","0.001","74.768","0.007","73.263","0.006","72.295","0.006","1105.21","0.15","150.02","0.1","150.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 B F4 O2 -","- C28 H21 B F4 O2 -","- C56 H42 B2 F8 O4 -","2","1","","Warner, Andrew J.; Enright, Kieron M.; Cole, John M.; Yuan, Kang; McGough, John S.; Ingleson, Michael J.","Borylative cyclisation of diynes using BCl<sub>3</sub> and borocations.","Organic & biomolecular chemistry","2019","17","22","5520","5525","10.1039/c9ob00991d","","","0.71073","MoKα","","0.0989","0.0587","","","0.1168","0.1433","","","","","","1.0502","","","","has coordinates","225055","2020-10-21","18:00:00",""
"7156873","9.8844","0.0008","11.0536","0.0008","12.8011","0.0009","72.871","0.007","85.108","0.006","75.762","0.007","1295.41","0.18","150.03","0.1","150.03","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 B Cl O4 -","- C30 H30 B Cl O4 -","- C60 H60 B2 Cl2 O8 -","2","1","","Warner, Andrew J.; Enright, Kieron M.; Cole, John M.; Yuan, Kang; McGough, John S.; Ingleson, Michael J.","Borylative cyclisation of diynes using BCl<sub>3</sub> and borocations.","Organic & biomolecular chemistry","2019","17","22","5520","5525","10.1039/c9ob00991d","","","0.71073","MoKα","","0.0786","0.0531","","","0.1183","0.1396","","","","","","1.0457","","","","has coordinates","225055","2020-10-21","18:00:00",""
"7156874","8.3581","0.0005","8.7357","0.0005","12.2791","0.0008","104.472","0.004","102.631","0.005","104.192","0.004","803.31","0.09","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H24 I N5 -","- C12 H24 I N5 -","- C24 H48 I2 N10 -","2","1","","Kocsis, Istvan Zsolt; Motloch, Petr; Guerreiro, Ana; Qiu Mexia De Azeredo, Carolina; Bernardes, Gonçalo J. L.; Hunter, Christopher Alexander","Triaminopyrimidine derivatives as transmembrane HCl transporters","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB00725C","","","1.54178","CuKα","","0.1119","0.0655","","","0.1337","0.1541","","","","","","1.037","","","","has coordinates,has disorder","215344","2020-10-21","18:00:00",""
"7156875","17.722","0.0006","17.722","0.0006","28.3433","0.0014","90","","90","","90","","8901.8","0.6","220","2","220","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C12 H25 Cl2 N5 -","- C12 H25 Cl2 N5 -","- C192 H400 Cl32 N80 -","16","","","Kocsis, Istvan Zsolt; Motloch, Petr; Guerreiro, Ana; Qiu Mexia De Azeredo, Carolina; Bernardes, Gonçalo J. L.; Hunter, Christopher Alexander","Triaminopyrimidine derivatives as transmembrane HCl transporters","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB00725C","","","1.54178","CuKα","","0.1176","0.074","","","0.1971","0.2281","","","","","","1.063","","","","has coordinates,has disorder","215344","2020-10-21","18:00:00",""
"7156876","6.495","0.003","17.713","0.008","21.586","0.01","90","","90","","90","","2483","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-methyl-3-(4-nitrophenyl)-5,6a-dihydroisothiazolo[5,4-d]isoxazol-6(3aH)-one 4,4-dioxide","","- C11 H9 N3 O6 S -","- C11 H9 N3 O6 S -","- C88 H72 N24 O48 S8 -","8","1","","Lin, Yifan; Zhang, Ke; Gao, Mingchun; Jiang, Zheyi; Liu, Jiajie; Ma, Yurui; Wang, Haoyu; Tan, Qitao; Xiao, Junjie; Xu, Bin","Copper nitrate-mediated synthesis of 3-aryl isoxazolines and isoxazoles from olefinic azlactones.","Organic & biomolecular chemistry","2019","17","22","5509","5513","10.1039/c9ob00857h","","","0.71073","MoKα","","0.0504","0.0374","","","0.1022","0.111","","","","","","1.031","","","","has coordinates","225059","2020-10-21","18:00:00",""
"7156877","12.8593","0.0008","14.1412","0.001","6.7109","0.0005","90","","90","","90","","1220.35","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Li, Ping-Gui; Zhu, Hao; Fan, Min; Yan, Cheng; Shi, Kai; Chi, Xi-Wen; Zou, Liang-Hua","Copper-catalyzed coupling of anthranils and α-keto acids: direct synthesis of α-ketoamides.","Organic & biomolecular chemistry","2019","17","24","5902","5907","10.1039/c9ob00822e","","","0.71073","MoKα","","0.0343","0.031","","","0.0792","0.0812","","","","","","1.097","","","","has coordinates","225037","2020-10-21","18:00:00",""
"7156878","11.3174","0.0002","13.2547","0.0003","7.8913","0.0002","90","","90","","90","","1183.76","0.05","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H16 B N O4 -","- C12 H16 B N O4 -","- C48 H64 B4 N4 O16 -","4","1","","Li, Kaicheng; Kelly, Michael A.; Gao, Jianmin","Biocompatible conjugation of Tris base to 2-acetyl and 2-formyl phenylboronic acid.","Organic & biomolecular chemistry","2019","17","24","5908","5912","10.1039/c9ob00726a","","","1.54178","CuKα","","0.0287","0.0276","","","0.0729","0.074","","","","","","1.066","","","","has coordinates","225036","2020-10-21","18:00:00",""
"7156879","13.3622","0.0006","9.2625","0.0004","8.695","0.0004","90","","94.734","0.002","90","","1072.49","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 B N O4 -","- C11 H14 B N O4 -","- C44 H56 B4 N4 O16 -","4","1","","Li, Kaicheng; Kelly, Michael A.; Gao, Jianmin","Biocompatible conjugation of Tris base to 2-acetyl and 2-formyl phenylboronic acid.","Organic & biomolecular chemistry","2019","17","24","5908","5912","10.1039/c9ob00726a","","","1.54178","CuKα","","0.0598","0.0543","","","0.1538","0.1598","","","","","","1.049","","","","has coordinates","225036","2020-10-21","18:00:00",""
"7156880","10.1546","0.0003","10.8743","0.0004","13.3084","0.0005","85.375","0.002","77.474","0.001","63.999","0.001","1289.22","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","WIN573","","","- C28 H21 Br F3 N O4 -","- C28 H21 Br F3 N O4 -","- C56 H42 Br2 F6 N2 O8 -","2","1","","Winter, Michael; Faust, Kirill; Himmelsbach, Markus; Waser, Mario","Synthesis of α-CF<sub>3</sub>-proline derivatives by means of a formal (3 + 2)-cyclisation between trifluoropyruvate imines and Michael acceptors.","Organic & biomolecular chemistry","2019","17","23","5731","5735","10.1039/c9ob01134j","","","0.71073","MoKα","","0.0881","0.0474","","","0.0911","0.1055","","","","","","1.125","","","","has coordinates","225252","2020-10-21","18:00:00",""
"7156881","19.9226","0.0004","12.6653","0.0003","18.9998","0.0004","90","","101.605","0.001","90","","4696.13","0.18","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N O6 -","- C24 H35 N O6 -","- C192 H280 N8 O48 -","8","2","","Antonova, Yulia A.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu; Ioffe, Sema L.; Tabolin, Andrey A.","Tandem double acylation/[3,3]-rearrangement of aliphatic nitro compounds: a route to α-oxygenated oxime derivatives.","Organic & biomolecular chemistry","2019","17","24","5997","6006","10.1039/c9ob01005j","","","1.54178","CuKα","","0.0381","0.033","","","0.0879","0.0923","","","","","","1.0336","","","","has coordinates","225035","2020-10-21","18:00:00",""
"7156882","7.7673","0.0002","8.9291","0.0003","12.6819","0.0004","99.235","0.002","90.839","0.002","93.211","0.002","866.54","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C38 H40 O12 -","2","1","","O'Boyle, Niamh M; Ana, Gloria; Kelly, Patrick M.; Nathwani, Seema M.; Noorani, Sara; Fayne, Darren; Bright, Sandra A.; Twamley, Brendan; Zisterer, Daniela M.; Meegan, Mary J.","Synthesis and evaluation of antiproliferative microtubule-destabilising combretastatin A-4 piperazine conjugates.","Organic & biomolecular chemistry","2019","17","25","6184","6200","10.1039/c9ob00558g","","x-ray","1.54178","CuKα","","0.0686","0.0518","","","0.138","0.1501","","","","","","1.06","","","","has coordinates","225178","2020-10-21","18:00:00",""
"7156883","7.943","0.005","8.981","0.005","22.131","0.005","90","0.005","96.657","0.005","90","0.005","1568.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl N2 O -","- C19 H13 Cl N2 O -","- C76 H52 Cl4 N8 O4 -","4","1","","Kumar, Ritush; Singh, Radhey M.","Metal-free POCl<sub>3</sub> promoted stereoselective hydrochlorination of ethynylated azaheterocycles.","Organic & biomolecular chemistry","2019","17","24","5990","5996","10.1039/c9ob00841a","","","0.71073","MoKα","","0.1461","0.0635","","","0.1325","0.1738","","","","","","0.994","","","","has coordinates","225039","2020-10-21","18:00:00",""
"7156884","9.6679","0.0009","9.2605","0.0009","20.717","0.002","90","","101.965","0.003","90","","1814.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Borra, Satheesh; Borkotoky, Lodsna; Newar, Uma Devi; Kalwar, Anshu; Das, Babulal; Maurya, Ram Awatar","Visible light triggered photo-decomposition of vinyl azides to (E)-stilbene derivatives via 1,2-acyl migration.","Organic & biomolecular chemistry","2019","17","24","5971","5981","10.1039/c9ob01035a","","","0.71073","MoKα","","0.0523","0.0397","","","0.0867","0.0965","","","","","","0.983","","","","has coordinates","225034","2020-10-21","18:00:00",""
"7156885","8.96","0.002","11.752","0.003","15.156","0.004","90.717","0.004","103.972","0.003","92.265","0.004","1547.1","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H74 O4 S4 -","- C74 H74 O4 S4 -","- C74 H74 O4 S4 -","1","0.5","","Hu, Jie-Ying; Sun, Yan-Qiong; Xiao, Ran; Cheng, Shengxian; He, Jun; Zeller, Matthias; Wong, Wai-Yeung; Xu, Zhengtao","Symmetrically backfolded molecules emulating the self-similar features of a Sierpinski triangle.","Organic & biomolecular chemistry","2019","17","24","6032","6037","10.1039/c9ob00958b","","","0.71073","MoKα","","0.0577","0.0438","","","0.1037","0.114","","","","","","1.033","","","","has coordinates","225038","2020-10-21","18:00:00",""
"7156886","36.646","0.002","36.646","0.002","17.5414","0.0013","90","","90","","120","","20401","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H40 Cl2 N4 O4 -","- C48 H40 Cl2 N4 O4 -","- C864 H720 Cl36 N72 O72 -","18","1","","Halder, Nyancy; Sangeetha, Mohandas; Usharani, Dandamudi; Rath, Harapriya","meso-Aryl substituted stable unorthodox 5,10-porphodimethenes with α,β and β,β-N-methyl pyrrole connectivities: synthesis and spectroscopic, solid state and theoretical characterization.","Organic & biomolecular chemistry","2019","17","25","6131","6135","10.1039/c9ob01062a","","","0.71073","MoKα","","0.1589","0.1119","","","0.2936","0.3293","","","","","","1.151","","","","has coordinates","225177","2020-10-21","18:00:00",""
"7156887","9.122","0.003","13.972","0.004","14.797","0.004","103.575","0.008","94.231","0.011","107.933","0.007","1722.3","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 Cl N4 -","- C46 H34 Cl N4 -","- C92 H68 Cl2 N8 -","2","1","","Halder, Nyancy; Sangeetha, Mohandas; Usharani, Dandamudi; Rath, Harapriya","meso-Aryl substituted stable unorthodox 5,10-porphodimethenes with α,β and β,β-N-methyl pyrrole connectivities: synthesis and spectroscopic, solid state and theoretical characterization.","Organic & biomolecular chemistry","2019","17","25","6131","6135","10.1039/c9ob01062a","","","0.71073","MoKα","","0.1477","0.0712","","","0.17","0.2151","","","","","","1","","","","has coordinates","225177","2020-10-21","18:00:00",""
"7156888","5.4441","0.0003","18.1287","0.0008","8.5243","0.0004","90","","95.698","0.003","90","","837.14","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C32 H42 N2 O12 -","2","1","","Kutaszewicz, Rafał; Grzeszczyk, Barbara; Górecki, Marcin; Staszewska-Krajewska, Olga; Furman, Bartłomiej; Chmielewski, Marek","Bypassing the stereoselectivity issue: transformations of Kinugasa adducts from chiral alkynes and non-chiral acyclic nitrones.","Organic & biomolecular chemistry","2019","17","25","6251","6268","10.1039/c9ob00940j","","","1.54178","CuKα","","0.0942","0.0645","","","0.1458","0.1886","","","","","","0.873","","","","has coordinates,has disorder","225172","2020-10-21","18:00:00",""
"7156889","11.6177","0.001","14.1889","0.0012","6.2178","0.0005","90","","91.299","0.002","90","","1024.69","0.15","293","0.2","293","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F N2 -","- C13 H9 F N2 -","- C52 H36 F4 N8 -","4","1","","Samanta, Surya Kanta; Bera, Mrinal K.","Iodine mediated oxidative cross coupling of 2-aminopyridine and aromatic terminal alkyne: a practical route to imidazo[1,2-a]pyridine derivatives.","Organic & biomolecular chemistry","2019","17","26","6441","6449","10.1039/c9ob00812h","","","0.71073","MoKα","","0.0835","0.0511","","","0.1107","0.1266","","","","","","1.033","","","","has coordinates","225118","2020-10-21","18:00:00",""
"7156890","11.4012","0.0008","24.6145","0.0017","21.8613","0.0017","90","","90.414","0.003","90","","6134.9","0.8","100","1","100","1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H15 N O4 S -","- C18 H15 N O4 S -","- C288 H240 N16 O64 S16 -","16","8","","Ghisu, Lorenza; Melis, Nicola; Serusi, Lorenzo; Luridiana, Alberto; Soddu, Francesco; Secci, Francesco; Caboni, Pierluigi; Guillot, Régis; Aitken, David J.; Frongia, Angelo","Synthesis of β-sulfinyl cyclobutane carboxylic amides via a formal α to β sulphoxide migration process.","Organic & biomolecular chemistry","2019","17","25","6143","6147","10.1039/c9ob00758j","","","0.71073","MoKα","","0.1308","0.0885","","","0.1714","0.1932","","","","","","1.032","","","","has coordinates","225174","2020-10-21","18:00:00",""
"7156891","7.0433","0.0004","11.562","0.0008","11.6118","0.0008","90","","90.857","0.005","90","","945.5","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 B F2 N O3 -","- C9 H8 B F2 N O3 -","- C36 H32 B4 F8 N4 O12 -","4","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","1.54184","CuKα","","0.1295","0.1201","","","0.3423","0.3485","","","","","","1.567","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156892","13.1705","0.0007","12.9185","0.0004","7.3648","0.0002","90","","97.809","0.003","90","","1241.45","0.08","293","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","RCS-21","","- C11 H12 B F2 N O3 -","- C11 H12 B F2 N O3 -","- C44 H48 B4 F8 N4 O12 -","4","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","","1.54184","CuKα","","0.118","0.0974","","","0.2898","0.3107","","","","","","1.2109","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156893","13.5273","0.0005","7.7581","0.0004","24.7812","0.0015","90","","90","","90","","2600.7","0.2","293","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","NKS_RCS_ALA","","- C12 H14 B F2 N O3 -","- C12 H14 B F2 N O3 -","- C96 H112 B8 F16 N8 O24 -","8","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","1.54184","CuKα","","0.1296","0.0922","","","0.2806","0.3336","","","","","","1.126","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156894","8.8495","0.0002","9.1023","0.0002","9.2653","0.0002","62.94","0.002","89.372","0.002","69.175","0.002","610.93","0.03","293","2","296","","","","","","","","","6","P -1","-P 1","2","","triclinic","","- C13 H11 B F2 N2 O -","- C13 H11 B F2 N2 O -","- C26 H22 B2 F4 N4 O2 -","2","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","","1.54184","CuKα","","0.0423","0.039","","","0.1006","0.1034","","","","","","1.1434","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156895","7.0792","0.0004","7.4313","0.0004","26.3653","0.0014","90","","96.772","0.005","90","","1377.34","0.13","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","RCS-48","","- C16 H11 B F2 N2 O -","- C16 H11 B F2 N2 O -","- C64 H44 B4 F8 N8 O4 -","4","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","0.71073","MoKα","","0.0443","0.0391","","","0.175","0.1867","","","","","","0.842","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156896","8.1582","0.0002","9.4094","0.0002","9.4305","0.0002","98.033","0.001","94.918","0.002","94.971","0.001","710.6","0.03","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H32 B2 F4 N2 O6 -","- C26 H32 B2 F4 N2 O6 -","- C26 H32 B2 F4 N2 O6 -","1","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","1.54184","CuKα","","0.0622","0.0604","","","0.1778","0.1813","","","","","","1.074","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156897","17.467","0.004","9.736","0.002","14.482","0.003","90","","90","","90","","2462.8","0.9","125","2","125","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H39 B N2 -","- C27 H39 B N2 -","- C108 H156 B4 N8 -","4","1","","Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.","Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.","Organic & biomolecular chemistry","2019","17","25","6158","6164","10.1039/c9ob01053j","","","0.71073","MoKα","","0.0681","0.044","","","0.0817","0.0914","","","","","","1.029","","","","has coordinates,has disorder","225175","2020-10-21","18:00:00",""
"7156898","6.2971","0.0015","10.739","0.003","18.714","0.005","92.24","0.003","91.774","0.003","94.792","0.003","1259.4","0.6","125","2","125","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H38 B Cl N2 -","- C27 H38 B Cl N2 -","- C54 H76 B2 Cl2 N4 -","2","2","","Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.","Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.","Organic & biomolecular chemistry","2019","17","25","6158","6164","10.1039/c9ob01053j","","","0.71073","MoKα","","0.1083","0.0643","","","0.119","0.1392","","","","","","0.993","","","","has coordinates","225175","2020-10-21","18:00:00",""
"7156899","17.3954","0.0017","9.9115","0.001","14.4462","0.0014","90","","90","","90","","2490.7","0.4","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H38 B F N2 -","- C27 H38 B F N2 -","- C108 H152 B4 F4 N8 -","4","1","","Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.","Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.","Organic & biomolecular chemistry","2019","17","25","6158","6164","10.1039/c9ob01053j","","","0.71073","MoKα","","0.0354","0.0324","","","0.0835","0.0857","","","","","","1.041","","","","has coordinates,has disorder","225175","2020-10-21","18:00:00",""
"7156900","15.9582","0.0005","9.1314","0.0003","10.7679","0.0003","90","","91.0981","0.0011","90","","1568.82","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","","Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.","How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.","Organic & biomolecular chemistry","2019","17","25","6293","6304","10.1039/c9ob00750d","","","0.71073","MoKα","","0.0677","0.038","","","0.076","0.0847","","","","","","1.027","","","","has coordinates","225173","2020-10-21","18:00:00",""
"7156901","19.185","0.002","5.7454","0.0007","29.323","0.003","90","","90","","90","","3232.1","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C152 H152 Br8 O16 -","8","2","","Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.","How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.","Organic & biomolecular chemistry","2019","17","25","6293","6304","10.1039/c9ob00750d","","","0.71073","MoKα","","0.096","0.0645","","","0.148","0.1637","","","","","","1.034","","","","has coordinates","225173","2020-10-21","18:00:00",""
"7156902","9.6819","0.001","9.8937","0.001","25.25","0.003","90","","97.704","0.003","90","","2396.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C114 H114 Br6 O12 -","6","3","","Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.","How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.","Organic & biomolecular chemistry","2019","17","25","6293","6304","10.1039/c9ob00750d","","","0.71073","MoKα","","0.1161","0.0635","","","0.1258","0.1496","","","","","","1.021","","","","has coordinates","225173","2020-10-21","18:00:00",""
"7156903","8.6931","0.00018","24.9324","0.0006","9.8261","0.0002","90","","90.438","0.002","90","","2129.65","0.08","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O3 -","- C25 H27 N3 O3 -","- C100 H108 N12 O12 -","4","1","","He, Yi; Wu, Danjun; Li, Zhenghua; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Erik V.","Facile construction of diverse polyheterocyclic scaffolds via gold-catalysed dearomative spirocyclization/1,6-addition cascade.","Organic & biomolecular chemistry","2019","17","25","6284","6292","10.1039/c9ob01299k","","x-ray","0.71073","MoKα","","0.0419","0.0396","","","0.097","0.0986","","","","","","1.084","","","","has coordinates","225176","2020-10-21","18:00:00",""
"7156904","9.2977","0.0008","9.9446","0.0011","13.8192","0.0011","83.641","0.008","73.868","0.007","74.132","0.009","1179.8","0.2","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N3 O3 -","- C28 H33 N3 O3 -","- C56 H66 N6 O6 -","2","1","","He, Yi; Wu, Danjun; Li, Zhenghua; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Erik V.","Facile construction of diverse polyheterocyclic scaffolds via gold-catalysed dearomative spirocyclization/1,6-addition cascade.","Organic & biomolecular chemistry","2019","17","25","6284","6292","10.1039/c9ob01299k","","x-ray","0.71073","MoKα","","0.0401","0.038","","","0.0927","0.0943","","","","","","1.061","","","","has coordinates","225176","2020-10-21","18:00:00",""
"7156905","8.9636","0.0003","10.3969","0.0004","13.4271","0.0005","90","","94.862","0.001","90","","1246.82","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Le, Thi Thu Huong; Youhei, Chitose; Le, Quy Hien; Nguyen, Thanh Binh; Mac, Dinh Hung","Convenient one-pot access to 2H-3-nitrothiochromenes from 2-bromobenzaldehydes, sodium sulfide and β-nitrostyrenes.","Organic & biomolecular chemistry","2019","17","26","6355","6358","10.1039/c9ob01060b","","","0.71073","MoKα","","0.0344","0.0296","","","0.0721","0.0747","","","","","","1.06","","","","has coordinates","225123","2020-10-21","18:00:00",""
"7156906","10.2529","0.0002","11.3156","0.0003","39.0323","0.0009","90","","90","","90","","4528.44","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H47 N O11 S -","- C37 H47 N O11 S -","- C148 H188 N4 O44 S4 -","4","1","","Wang, Kaiye; Xiang, Yanan; Shi, Zhujun; Wang, Hongyu; Li, Na; Tang, Bo","Asymmetric kinetic resolution of sulfides for the construction of unsymmetric sulfides and chiral 3,3-disubstituted oxindoles.","Organic & biomolecular chemistry","2019","17","26","6351","6354","10.1039/c9ob01065c","","","1.54184","CuKα","","0.0726","0.0664","","","0.174","0.1793","","","","","","1.047","","","","has coordinates","225124","2020-10-21","18:00:00",""
"7156907","8.2594","0.0011","24.311","0.002","20.696","0.002","90","","97.933","0.005","90","","4115.9","0.8","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 B Cl3 F5 N -","- C49 H36 B Cl3 F5 N -","- C196 H144 B4 Cl12 F20 N4 -","4","1","","Dong, Lei; Saraci, Felix; Yuan, Kang; Wang, Xiang; Wang, Suning","Push-pull isomers of indolizino[6,5,4,3-def]phenanthridine decorated with a triarylboron moiety.","Organic & biomolecular chemistry","2019","17","26","6470","6477","10.1039/c9ob00923j","","","0.71073","MoKα","","0.1391","0.0675","","","0.1587","0.203","","","","","","1.023","","","","has coordinates","225117","2020-10-21","18:00:00",""
"7156908","8.5885","0.0006","14.6907","0.0012","16.3399","0.0013","93.829","0.003","94.403","0.003","98.387","0.003","2027.2","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 B Cl3 F3 N2 -","- C49 H39 B Cl3 F3 N2 -","- C98 H78 B2 Cl6 F6 N4 -","2","1","","Dong, Lei; Saraci, Felix; Yuan, Kang; Wang, Xiang; Wang, Suning","Push-pull isomers of indolizino[6,5,4,3-def]phenanthridine decorated with a triarylboron moiety.","Organic & biomolecular chemistry","2019","17","26","6470","6477","10.1039/c9ob00923j","","","0.71073","MoKα","","0.2054","0.0806","","","0.1959","0.2983","","","","","","1.051","","","","has coordinates,has disorder","225117","2020-10-21","18:00:00",""
"7156909","8.0766","0.0008","9.1009","0.0009","33.009","0.004","90","","90","","90","","2426.3","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N O5 S -","- C27 H25 N O5 S -","- C108 H100 N4 O20 S4 -","4","1","","Zhao, Zi-Biao; Shi, Lei; Li, Yaming; Meng, Fan-Jie; Zhou, Yong-Gui","Facile synthesis of chiral ε-sultams via an organocatalytic aza-Friedel-Crafts reaction.","Organic & biomolecular chemistry","2019","17","26","6364","6368","10.1039/c9ob01158g","","","0.71073","MoKα","","0.0951","0.0503","","","0.0996","0.1215","","","","","","1.076","","","","has coordinates","225116","2020-10-21","18:00:00",""
"7156910","7.2163","0.0002","12.4415","0.0002","17.8306","0.0004","90","","96.925","0.001","90","","1589.18","0.06","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O7 S -","- C15 H17 N O7 S -","- C60 H68 N4 O28 S4 -","4","1","","Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias","Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.","Organic & biomolecular chemistry","2019","17","26","6489","6496","10.1039/c9ob01117j","","","0.71073","MoKα","","0.0569","0.0516","","","0.121","0.1231","","","","","","1.204","","","","has coordinates","225122","2020-10-21","18:00:00",""
"7156911","7.8544","0.0003","14.026","0.0006","9.9668","0.0004","90","","110.854","0.002","90","","1026.07","0.07","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","1","","Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias","Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.","Organic & biomolecular chemistry","2019","17","26","6489","6496","10.1039/c9ob01117j","","","0.71073","MoKα","","0.0486","0.0405","","","0.0893","0.0937","","","","","","1.115","","","","has coordinates","225122","2020-10-21","18:00:00",""
"7156912","7.6784","0.0005","7.8448","0.0005","9.1114","0.0006","91.933","0.004","101.72","0.002","105.491","0.004","515.61","0.06","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","1","","Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias","Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.","Organic & biomolecular chemistry","2019","17","26","6489","6496","10.1039/c9ob01117j","","","0.71073","MoKα","","0.0782","0.0586","","","0.1278","0.1377","","","","","","1.128","","","","has coordinates","225122","2020-10-21","18:00:00",""
"7156913","7.7698","0.0004","9.8328","0.0006","11.4487","0.0007","68.144","0.003","73.035","0.003","76.069","0.003","767.82","0.08","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O6 S -","- C15 H15 N O6 S -","- C30 H30 N2 O12 S2 -","2","1","","Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias","Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.","Organic & biomolecular chemistry","2019","17","26","6489","6496","10.1039/c9ob01117j","","","0.71073","MoKα","","0.0485","0.0407","","","0.0919","0.0985","","","","","","1.109","","","","has coordinates","225122","2020-10-21","18:00:00",""
"7156914","10.0026","0.0006","25.7449","0.0014","7.0051","0.0004","90","","103.519","0.002","90","","1753.94","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F2 O -","- C20 H22 F2 O -","- C80 H88 F8 O4 -","4","1","","Peng, Peng; Huang, Guo-Zhi; Sun, Ying-Xin; Wang, Xing; Wu, Jing-Jing; Wu, Fan-Hong","Copper-mediated cascade radical cyclization of olefins with naphthalenyl iododifluoromethyl ketones.","Organic & biomolecular chemistry","2019","17","26","6426","6431","10.1039/c9ob00916g","","","0.71073","MoKα","","0.1057","0.0747","","","0.2071","0.238","","","","","","1.033","","","","has coordinates,has disorder","225119","2020-10-21","18:00:00",""
"7156915","9.5734","0.0004","15.0468","0.0007","19.4977","0.0009","90","","92.992","0.003","90","","2804.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 F3 O4 P S -","- C31 H24 F3 O4 P S -","- C124 H96 F12 O16 P4 S4 -","4","1","","Neog, Kashmiri; Dutta, Dhiraj; Das, Babulal; Gogoi, Pranjal","Aryne insertion into the P[double bond, length as m-dash]O bond: one-pot synthesis of quaternary phosphonium triflates.","Organic & biomolecular chemistry","2019","17","26","6450","6460","10.1039/c9ob01157a","","","0.71073","MoKα","","0.11","0.0725","","","0.1785","0.2035","","","","","","0.982","","","","has coordinates","225125","2020-10-21","18:00:00",""
"7156916","9.1516","0.0002","5.26734","0.00013","17.986","0.0004","90","","94.683","0.002","90","","864.11","0.03","173.01","0.1","173.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C42 H42 N6 O2 -","2","1","","Peng, Fei; Tian, Hua; Zhang, Pengxiang; Yang, Haijun; Fu, Hua","Iridium-catalyzed intramolecular enantioselective allylation of quinazolin-4(3H)-one derivatives.","Organic & biomolecular chemistry","2019","17","26","6461","6464","10.1039/c9ob01057b","","x-ray","1.54184","CuKα","","0.0395","0.0363","","","0.0911","0.0936","","","","","","1.053","","","","has coordinates","225121","2020-10-21","18:00:00",""
"7156917","16.207","0.011","7.147","0.005","18.155","0.012","90","","109.83","0.03","90","","1978","2","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O3 -","- C25 H22 O3 -","- C100 H88 O12 -","4","1","","Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan","Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.","Organic & biomolecular chemistry","2019","17","27","6620","6628","10.1039/c9ob00732f","","","0.71073","MoKα","","0.0812","0.0615","","","0.1583","0.176","","","","","","1.119","","","","has coordinates","225068","2020-10-21","18:00:00",""
"7156918","11.9937","0.0005","11.8843","0.0004","30.2028","0.0011","90","","90","","90","","4305","0.3","223","0.1","223","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C208 H192 O32 -","8","1","","Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan","Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.","Organic & biomolecular chemistry","2019","17","27","6620","6628","10.1039/c9ob00732f","","","1.5418","CuKα","","0.0945","0.0611","","","0.1699","0.199","","","","","","1.108","","","","has coordinates,has disorder","225068","2020-10-21","18:00:00",""
"7156919","7.8923","0.0012","10.3082","0.0014","14.777","0.002","102.912","0.004","98.48","0.004","104.031","0.004","1110.7","0.3","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H24 O3 -","- C29 H24 O3 -","- C58 H48 O6 -","2","1","","Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan","Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.","Organic & biomolecular chemistry","2019","17","27","6620","6628","10.1039/c9ob00732f","","","0.71073","MoKα","","0.0993","0.067","","","0.1659","0.1852","","","","","","1.065","","","","has coordinates","225068","2020-10-21","18:00:00",""
"7156920","9.7186","0.0003","11.7583","0.0004","20.8375","0.0006","90","","96.0696","0.001","90","","2367.84","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-amino-5-isobutyl-1H-imidazole-4-carboxylate","","- C10 H17 N3 O2 -","- C10 H17 N3 O2 -","- C80 H136 N24 O16 -","8","2","","Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L.","Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles.","Organic & biomolecular chemistry","2019","17","27","6566","6569","10.1039/c9ob01100e","","","1.54178","CuKα","","0.0421","0.0396","","","0.1123","0.1153","","","","","","1.04","","","","has coordinates","225069","2020-10-21","18:00:00",""
"7156921","11.6022","0.0007","22.9041","0.0013","9.5733","0.0005","90","","90","","90","","2544","0.2","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Ethyl 2-amino-5-neopentyl-1H-imidazole-4-carboxylate","","- C11 H19 N3 O2 -","- C11 H19 N3 O2 -","- C88 H152 N24 O16 -","8","1","","Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L.","Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles.","Organic & biomolecular chemistry","2019","17","27","6566","6569","10.1039/c9ob01100e","","","1.54178","CuKα","","0.0697","0.069","","","0.1892","0.1896","","","","","","1.151","","","","has coordinates","225069","2020-10-21","18:00:00",""
"7156922","10.9129","0.0011","13.7709","0.0013","18.7714","0.0018","90","","102.244","0.001","90","","2756.8","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 N O5 S -","- C29 H33 N O5 S -","- C116 H132 N4 O20 S4 -","4","1","","Cheng, Yu-Chun; Wang, Cong-Shuai; Li, Tian-Zhen; Gao, Feng; Jiao, Yinchun; Shi, Feng","Organocatalytic [4 + 2] cyclizations of para-quinone methide derivatives with isocyanates.","Organic & biomolecular chemistry","2019","17","27","6662","6670","10.1039/c9ob00918c","","","0.71073","MoKα","","0.091","0.0626","","","0.1737","0.1973","","","","","","1.048","","","","has coordinates","225066","2020-10-21","18:00:00",""
"7156923","11.7435","0.0014","7.1127","0.0009","15.6205","0.0015","90","","95.141","0.009","90","","1299.5","0.3","294.15","","294.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Wu, Lingang; Hao, Yanan; Liu, Yuxiu; Wang, Qingmin","NIS-mediated oxidative arene C(sp<sup>2</sup>)-H amidation toward 3,4-dihydro-2(1H)-quinolinone, phenanthridone, and N-fused spirolactam derivatives.","Organic & biomolecular chemistry","2019","17","28","6762","6770","10.1039/c9ob01277j","","x-ray","0.71073","MoKα","","0.1112","0.0514","","","0.1214","0.1472","","","","","","1.016","","","","has coordinates","225027","2020-10-21","18:00:00",""
"7156924","11.507","0.004","4.843","0.0018","17.18","0.006","90","","100.591","0.009","90","","941.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Br N O3 -","- C9 H8 Br N O3 -","- C36 H32 Br4 N4 O12 -","4","1","","Jaiswal, Yogesh; Kumar, Yogesh; Kumar, Amit","The palladium(ii)-catalyzed regioselective ortho-C-H bromination/iodination of arylacetamides with in situ generated imidic acid as the directing group: mechanistic exploration.","Organic & biomolecular chemistry","2019","17","28","6809","6820","10.1039/c9ob01082c","","","0.71073","MoKα","","0.102","0.0485","","","0.0749","0.0894","","","","","","1.022","","","","has coordinates","225031","2020-10-21","18:00:00",""
"7156925","14.336","0.007","4.975","0.002","16.193","0.008","90","","106.346","0.013","90","","1108.2","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 I N O -","- C12 H10 I N O -","- C48 H40 I4 N4 O4 -","4","1","","Jaiswal, Yogesh; Kumar, Yogesh; Kumar, Amit","The palladium(ii)-catalyzed regioselective ortho-C-H bromination/iodination of arylacetamides with in situ generated imidic acid as the directing group: mechanistic exploration.","Organic & biomolecular chemistry","2019","17","28","6809","6820","10.1039/c9ob01082c","","","0.71073","MoKα","","0.1149","0.0533","","","0.1006","0.1204","","","","","","1.021","","","","has coordinates","225031","2020-10-21","18:00:00",""
"7156926","9.925","0.004","13.094","0.005","16.855","0.006","90","","105.017","0.012","90","","2115.6","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br N3 O2 -","- C25 H18 Br N3 O2 -","- C100 H72 Br4 N12 O8 -","4","1","","Balha, Megha; Mondal, Buddhadeb; Pan, Subhas Chandra","Organocatalytic asymmetric synthesis of dihydrofuran-spirooxindoles from benzylidene malononitriles and dioxindoles.","Organic & biomolecular chemistry","2019","17","27","6557","6561","10.1039/c9ob01199d","","","0.71073","MoKα","","0.0637","0.0391","","","0.1219","0.1437","","","","","","0.962","","","","has coordinates","225064","2020-10-21","18:00:00",""
"7156927","7.6371","0.0004","14.5261","0.0008","16.1757","0.0008","90","","90","","90","","1794.49","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","","Pilicer, Samantha L.; Mancinelli, Michele; Mazzanti, Andrea; Wolf, Christian","Predictive chirality sensing via Schiff base formation.","Organic & biomolecular chemistry","2019","17","27","6699","6705","10.1039/c9ob01265f","","","1.54178","CuKα","","0.0997","0.0553","","","0.1184","0.1383","","","","","","0.973","","","","has coordinates,has disorder","225065","2020-10-21","18:00:00",""
"7156928","6.691","0.002","7.895","0.003","15.59","0.006","85.482","0.015","85.127","0.014","68.851","0.013","764.3","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Salam, Abdus; Ray, Sayan; Zaid, Md Abu; Kumar, Dileep; Khan, Tabrez","Total syntheses of several iridolactones and the putative structure of noriridoid scholarein A: an intramolecular Pauson-Khand reaction based one-stop synthetic solution.","Organic & biomolecular chemistry","2019","17","28","6831","6842","10.1039/c9ob00855a","","","0.71073","MoKα","","0.0838","0.0581","","","0.1493","0.1722","","","","","","1.034","","","","has coordinates","225033","2020-10-21","18:00:00",""
"7156929","10.6941","0.0001","16.3625","0.0002","18.2683","0.0002","90","","90","","90","","3196.63","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35.51 N5 O7 S -","- C34 H35.5 N5 O7 S -","- C136 H142 N20 O28 S4 -","4","1","","Chen, Shuang; Wang, Guan-Lian; Xu, Sheng-Wen; Tian, Min-Yi; Zhang, Min; Liu, Xiong-Li; Yuan, Wei-Cheng","Regio- and stereoselective [3 + 2] cycloaddition reaction: access to isoxazole-dispirobisoxindoles featuring three contiguous stereocenters.","Organic & biomolecular chemistry","2019","17","27","6551","6556","10.1039/c9ob01203f","","x-ray","1.54184","CuKα","","0.039","0.0383","","","0.1012","0.102","","","","","","1.042","","","","has coordinates,has disorder","225067","2020-10-21","18:00:00",""
"7156930","11.1703","0.0002","15.8824","0.0003","18.1124","0.0003","90","","90","","90","","3213.34","0.1","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N5 O7 S -","- C33 H33 N5 O7 S -","- C132 H132 N20 O28 S4 -","4","1","","Chen, Shuang; Wang, Guan-Lian; Xu, Sheng-Wen; Tian, Min-Yi; Zhang, Min; Liu, Xiong-Li; Yuan, Wei-Cheng","Regio- and stereoselective [3 + 2] cycloaddition reaction: access to isoxazole-dispirobisoxindoles featuring three contiguous stereocenters.","Organic & biomolecular chemistry","2019","17","27","6551","6556","10.1039/c9ob01203f","","x-ray","1.54184","CuKα","","0.0386","0.0376","","","0.0971","0.098","","","","","","1.048","","","","has coordinates","225067","2020-10-21","18:00:00",""
"7156931","11.2685","0.0006","18.6581","0.0007","12.8795","0.0008","90","","111.426","0.007","90","","2520.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Br N O9 -","- C26 H22 Br N O9 -","- C104 H88 Br4 N4 O36 -","4","1","","Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.","[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.","Organic & biomolecular chemistry","2019","17","28","6821","6830","10.1039/c9ob01301f","","","0.71073","MoKα","","0.0592","0.0388","","","0.0764","0.0845","","","","","","1.03","","","","has coordinates","225028","2020-10-21","18:00:00",""
"7156932","9.6963","0.0003","12.8666","0.0003","18.3433","0.0006","90","","100.842","0.003","90","","2247.63","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Br N O10 -","- C22 H20 Br N O10 -","- C88 H80 Br4 N4 O40 -","4","1","","Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.","[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.","Organic & biomolecular chemistry","2019","17","28","6821","6830","10.1039/c9ob01301f","","","0.71073","MoKα","","0.0509","0.038","","","0.0743","0.079","","","","","","1.047","","","","has coordinates","225028","2020-10-21","18:00:00",""
"7156933","17.9781","0.0002","10.33117","0.00014","27.7978","0.0004","90","","93.5433","0.0012","90","","5153.15","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Br N2 O11 -","- C26 H21 Br N2 O11 -","- C208 H168 Br8 N16 O88 -","8","1","","Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.","[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.","Organic & biomolecular chemistry","2019","17","28","6821","6830","10.1039/c9ob01301f","","x-ray","1.54184","CuKα","","0.0356","0.0346","","","0.0979","0.0988","","","","","","1.064","","","","has coordinates","225028","2020-10-21","18:00:00",""
"7156934","11.6608","0.0001","15.2184","0.0001","13.2038","0.0001","90","","91.133","0.001","90","","2342.67","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Br N O9 -","- C23 H22 Br N O9 -","- C92 H88 Br4 N4 O36 -","4","1","","Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.","[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.","Organic & biomolecular chemistry","2019","17","28","6821","6830","10.1039/c9ob01301f","","x-ray","1.54184","CuKα","","0.0402","0.0398","","","0.1143","0.1147","","","","","","1.087","","","","has coordinates","225028","2020-10-21","18:00:00",""
"7156935","8.2994","0.0007","23.795","0.002","18.3273","0.0012","90","","93.367","0.003","90","","3613.1","0.5","298","0.1","298","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Br4 Cu F6 N4 P -","- C32 H28 Br4 Cu F6 N4 P -","- C128 H112 Br16 Cu4 F24 N16 P4 -","4","1","","Földesi, Tamás; Sipos, Gellért; Adamik, Réka; Nagy, Bálint; Tóth, Balázs L; Bényei, Attila; Szekeres, Krisztina J.; Láng, Győző G; Demeter, Attila; Peelen, Timothy J.; Novák, Zoltán","Design and application of diimine-based copper(i) complexes in photoredox catalysis.","Organic & biomolecular chemistry","2019","17","36","8343","8347","10.1039/c9ob01331h","","","0.71073","MoKα","","0.1364","0.0872","","","0.1667","0.1897","","","","","","1.183","","","","has coordinates","225262","2020-10-21","18:00:00",""
"7156936","17.6634","0.0005","8.6515","0.0002","9.4505","0.0003","90","","100.296","0.003","90","","1420.92","0.07","180","0.14","180","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","- C60 H76 N4 O16 -","2","0.5","","Homberg, Alexandre; Hrdina, Radim; Vishe, Mahesh; Guénée, Laure; Lacour, Jérôme","Stereoselective deconjugation of macrocyclic α,β-unsaturated esters by sequential amidation and olefin transposition: application to enantioselective phase-transfer catalysis.","Organic & biomolecular chemistry","2019","17","28","6905","6910","10.1039/c9ob01355e","","","1.54184","CuKα","","0.0367","0.0334","","","0.0871","0.0907","","","","","","1.031","","","","has coordinates","225025","2020-10-21","18:00:00",""
"7156937","18.8583","0.0007","19.3929","0.0005","19.5642","0.0007","90","","90","","90","","7155","0.4","180","2","180.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H58 B F24 N2 Na O8 -","- C72 H58 B F24 N2 Na O8 -","- C288 H232 B4 F96 N8 Na4 O32 -","4","1","","Homberg, Alexandre; Hrdina, Radim; Vishe, Mahesh; Guénée, Laure; Lacour, Jérôme","Stereoselective deconjugation of macrocyclic α,β-unsaturated esters by sequential amidation and olefin transposition: application to enantioselective phase-transfer catalysis.","Organic & biomolecular chemistry","2019","17","28","6905","6910","10.1039/c9ob01355e","","x-ray","1.54184","CuKα","","0.0993","0.0823","","","0.2183","0.2426","","","","","","1.051","","","","has coordinates,has disorder","225025","2020-10-21","18:00:00",""
"7156938","17.7333","0.0003","20.112","0.0003","18.2281","0.0003","90","","93.8737","0.0013","90","","6486.24","0.18","180.05","0.1","180.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H50 B F24 N2 Na O8 -","- C62 H50 B F24 N2 Na O8 -","- C248 H200 B4 F96 N8 Na4 O32 -","4","1","","Homberg, Alexandre; Hrdina, Radim; Vishe, Mahesh; Guénée, Laure; Lacour, Jérôme","Stereoselective deconjugation of macrocyclic α,β-unsaturated esters by sequential amidation and olefin transposition: application to enantioselective phase-transfer catalysis.","Organic & biomolecular chemistry","2019","17","28","6905","6910","10.1039/c9ob01355e","","x-ray","1.54184","CuKα","","0.082","0.0747","","","0.207","0.2163","","","","","","1.053","","","","has coordinates,has disorder","225025","2020-10-21","18:00:00",""
"7156939","5.6807","0.0005","11.3724","0.0009","11.9319","0.0009","90","","98.979","0.008","90","","761.39","0.11","190","2","190","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl O2 -","- C9 H7 Cl O2 -","- C36 H28 Cl4 O8 -","4","1","","Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.","The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.","Organic & biomolecular chemistry","2019","17","28","6790","6798","10.1039/c9ob01238a","","x-ray","0.71073","MoKα","","0.054","0.0407","","","0.0947","0.1063","","","","","","1.032","","","","has coordinates","225029","2020-10-21","18:00:00",""
"7156940","9.7132","0.0003","14.1931","0.0005","14.3361","0.0005","90","","90","","90","","1976.38","0.12","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","1","","Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.","The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.","Organic & biomolecular chemistry","2019","17","28","6790","6798","10.1039/c9ob01238a","","x-ray","1.54184","CuKα","","0.0415","0.0391","","","0.0962","0.0983","","","","","","1.069","","","","has coordinates","225029","2020-10-21","18:00:00",""
"7156941","14.926","0.001","6.8613","0.0004","17.143","0.001","90","","111.037","0.008","90","","1638.6","0.2","190","2","190","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Cl F3 N2 O3 -","- C17 H12 Cl F3 N2 O3 -","- C68 H48 Cl4 F12 N8 O12 -","4","1","","Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.","The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.","Organic & biomolecular chemistry","2019","17","28","6790","6798","10.1039/c9ob01238a","","x-ray","0.71073","MoKα","","0.0831","0.0626","","","0.1639","0.1823","","","","","","1.028","","","","has coordinates","225029","2020-10-21","18:00:00",""
"7156942","16.3369","0.0014","9.5786","0.0008","16.6878","0.0013","90","","98.9","0.009","90","","2579.9","0.4","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C112 H112 N32 O24 -","8","2","","Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.","The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.","Organic & biomolecular chemistry","2019","17","28","6790","6798","10.1039/c9ob01238a","","x-ray","0.71073","MoKα","","0.1021","0.0594","","","0.1015","0.1178","","","","","","1.027","","","","has coordinates","225029","2020-10-21","18:00:00",""
"7156943","11.499","0.0008","8.466","0.0006","31.3","0.002","90","","90","","90","","3047.1","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N2 O2 S2 -","- C15 H14 N2 O2 S2 -","- C120 H112 N16 O16 S16 -","8","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.0381","0.0338","","","0.0893","0.0919","","","","","","1.084","","","","has coordinates","225026","2020-10-21","18:00:00",""
"7156944","18.7734","0.0009","12.5873","0.0005","8.6595","0.0004","90","","95.548","0.002","90","","2036.71","0.16","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F3 N2 O2 S2 -","- C21 H15 F3 N2 O2 S2 -","- C84 H60 F12 N8 O8 S8 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.0572","0.0439","","","0.1115","0.1194","","","","","","1.036","","","","has coordinates","225026","2020-10-21","18:00:00",""
"7156945","14.5408","0.0007","10.038","0.0005","14.7642","0.0007","90","","112.918","0.002","90","","1984.88","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F3 N2 O2 S2 -","- C19 H19 F3 N2 O2 S2 -","- C76 H76 F12 N8 O8 S8 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.04","0.0364","","","0.1005","0.1046","","","","","","1.046","","","","has coordinates","225026","2020-10-21","18:00:00",""
"7156946","7.507","0.004","16.207","0.01","29.663","0.019","90","","90","","90","","3609","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O3 S2 -","- C19 H16 N2 O3 S2 -","- C152 H128 N16 O24 S16 -","8","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.1239","0.0722","","","0.1853","0.227","","","","","","1.051","","","","has coordinates","225026","2020-10-21","18:00:00",""
"7156947","12.557","0.002","18.579","0.002","13.015","0.002","90","","104.3","0.019","90","","2942.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 F2 N4 O6 S2 -","- C30 H26 F2 N4 O6 S2 -","- C120 H104 F8 N16 O24 S8 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","1.54184","CuKα","","0.2423","0.1065","","","0.2442","0.3647","","","","","","0.955","","","","has coordinates","225026","2020-10-21","18:00:00",""
"7156948","14.23986","0.0002","7.86116","0.00008","19.8448","0.0003","90","","98.1269","0.0012","90","","2199.15","0.05","160","2","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H37 Br2 N3 O11 -","- C42 H37 Br2 N3 O11 -","- C84 H74 Br4 N6 O22 -","2","1","","Wang, Ying; Ren, Jinwei; Li, Honghua; Pan, Yuanyuan; Liu, Xingzhong; Che, Yongsheng; Liu, Gang","The disruption of verM activates the production of gliocladiosin A and B in Clonostachys rogersoniana.","Organic & biomolecular chemistry","2019","17","28","6782","6785","10.1039/c9ob01102a","","","1.54184","CuKα","","0.0686","0.0662","","","0.1938","0.1988","","","","","","1.071","","","","has coordinates,has disorder","225030","2020-10-21","18:00:00",""
"7156949","6.2739","0.0008","20.464","0.003","23.723","0.003","90","","90","","90","","3045.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,3,4,4,5,5-hexafluoro-1,2-bis[2,3,5,6-tetrafluoro-4-(2-(4-methoxyphenyl)ethyn-1-yl)phenyl]cyclopentene","","- C35 H14 F14 O2 -","- C35 H14 F14 O2 -","- C140 H56 F56 O8 -","4","1","","Yamada, Shigeyuki; Nishizawa, Akito; Morita, Masato; Hosokai, Takuya; Okabayashi, Yusuke; Agou, Tomohiro; Hosoya, Takaaki; Kubota, Toshio; Konno, Tsutomu","Synthesis and characterization of bent fluorine-containing donor-π-acceptor molecules as intense luminophores with large Stokes shifts.","Organic & biomolecular chemistry","2019","17","28","6911","6919","10.1039/c9ob01300h","","","0.71073","MoKα","","0.2005","0.0816","","","0.1748","0.2656","","","","","","0.983","","","","has coordinates,has disorder","225032","2020-10-21","18:00:00",""
"7156950","7.6458","0.0004","7.7616","0.0003","31.5448","0.001","86.116","0.003","83.893","0.003","66.44","0.004","1705.55","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3,4,4,5,5-hexafluoro-1,2-bis[2,3,5,6-tetrafluoro-4-(2-(4-n-propoxyphenyl)ethyn-1-yl)phenyl]cyclopentene","","- C39 H22 F14 O2 -","- C39 H22 F14 O2 -","- C78 H44 F28 O4 -","2","1","","Yamada, Shigeyuki; Nishizawa, Akito; Morita, Masato; Hosokai, Takuya; Okabayashi, Yusuke; Agou, Tomohiro; Hosoya, Takaaki; Kubota, Toshio; Konno, Tsutomu","Synthesis and characterization of bent fluorine-containing donor-π-acceptor molecules as intense luminophores with large Stokes shifts.","Organic & biomolecular chemistry","2019","17","28","6911","6919","10.1039/c9ob01300h","","","0.71073","MoKα","","0.0681","0.0462","","","0.1108","0.126","","","","","","1.009","","","","has coordinates","225032","2020-10-21","18:00:00",""
"7156951","12.417","0.003","6.0979","0.0012","25.184","0.005","90","","101.93","0.03","90","","1865.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.17 H3.83 N0.17 O0.83 S0.17 -","- C3.16667 H3.83333 N0.166667 O0.833333 S0.166667 -","- C76 H92 N4 O20 S4 -","24","6","","Huang, Junmin; Hu, Xinwei; Chen, Fengjuan; Gui, Jiao; Zeng, Wei","Rhodium(i)-catalyzed vinylation/[2 + 1] carbocyclization of 1,6-enynes with α-diazocarbonyl compounds.","Organic & biomolecular chemistry","2019","17","29","7042","7054","10.1039/c9ob01028a","","","0.71073","MoKα","","0.035","0.033","","","0.0877","0.0895","","","","","","1.017","","","","has coordinates","225017","2020-10-21","18:00:00",""
"7156952","23.7456","0.0011","29.0274","0.0009","27.4514","0.0014","90","","101.549","0.004","90","","18538.4","1.4","119.97","0.11","119.97","0.11","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C122 H158 Cl6 N12 O24 -","- C122 H158 Cl6 N12 O24 -","- C488 H632 Cl24 N48 O96 -","4","1","","Kiesilä, Anniina; Beyeh, Ngong Kodiah; Moilanen, Jani O.; Puttreddy, Rakesh; Götz, Sven; Rissanen, Kari; Barran, Perdita; Lützen, Arne; Kalenius, Elina","Thermodynamically driven self-assembly of pyridinearene to hexameric capsules.","Organic & biomolecular chemistry","2019","17","29","6980","6984","10.1039/c9ob01383k","","x-ray","1.54178","CuKα","","0.2432","0.2056","","","0.4494","0.5139","","","","","","1.789","","","","has coordinates","225022","2020-10-21","18:00:00",""
"7156953","7.3603","0.0001","16.089","0.0002","16.5566","0.0002","90","","92.3726","0.0008","90","","1958.95","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","2","","Ryder, Greg M.; Wille, Uta; Willis, Anthony C.; Pyne, Stephen G.","1,2-Addition versus homoconjugate addition reactions of indoles and electron-rich arenes to α-cyclopropyl N-acyliminium ions: synthetic and computational studies.","Organic & biomolecular chemistry","2019","17","29","7025","7035","10.1039/c9ob01363f","","","1.54184","CuKα","","0.0324","0.0316","","0.082","0.0811","0.082","","","","","","1.0042","","","","has coordinates","225020","2020-10-21","18:00:00",""
"7156954","8.996","0.009","13.612","0.014","20.05","0.02","87.116","0.015","82.877","0.016","77.657","0.015","2379","4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H62 N8 O7 S -","- C48 H62 N8 O7 S -","- C96 H124 N16 O14 S2 -","2","1","","Isoda, Kyosuke; Matsuzaka, Mitsuru; Sugaya, Tomoaki; Yasuda, Takeshi; Tadokoro, Makoto","Synthesis and electrochromic behavior of a multi-electron redox-active N-heteroheptacenequinone.","Organic & biomolecular chemistry","2019","17","34","7884","7890","10.1039/c9ob01323g","","","0.71073","MoKα","","0.2268","0.0892","","","0.2121","0.2828","","","","","","0.853","","","","has coordinates,has disorder","225279","2020-10-21","18:00:00",""
"7156955","11.5057","0.0016","9.9709","0.0014","13.652","0.002","90","","105.1","0.004","90","","1512.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O4 S3 -","- C13 H10 N2 O4 S3 -","- C52 H40 N8 O16 S12 -","4","1","","Li, Chengqiu; Long, Pingliang; Wu, Haopeng; Yin, Hongquan; Chen, Fu-Xue","N-Thiocyanato-dibenzenesulfonimide: a new electrophilic thiocyanating reagent with enhanced reactivity.","Organic & biomolecular chemistry","2019","17","30","7131","7134","10.1039/c9ob01340g","","","0.71073","MoKα","","0.0258","0.0243","","","0.0651","0.0664","","","","","","1.053","","","","has coordinates","225223","2020-10-21","18:00:00",""
"7156956","19.1784","0.001","5.9217","0.0003","15.119","0.0009","90","","92.959","0.005","90","","1714.76","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C80 H72 N8 O8 S4 -","4","1","","Miao, Jiankang; Sang, Xiaoyan; Wang, Yi; Deng, Shufeng; Hao, Wenyan","Synthesis of thiazolo[2,3-b]quinazoline derivatives via base-promoted cascade bicyclization of o-alkenylphenyl isothiocyanates with propargylamines.","Organic & biomolecular chemistry","2019","17","29","6994","6997","10.1039/c9ob01098j","","x-ray","0.71073","MoKα","","0.0598","0.047","","","0.106","0.1125","","","","","","1.068","","","","has coordinates","225023","2020-10-21","18:00:00",""
"7156957","6.3411","0.0018","7.109","0.002","16.557","0.005","93.165","0.009","92.574","0.009","92.317","0.01","743.8","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 O -","- C18 H13 Cl N2 O -","- C36 H26 Cl2 N4 O2 -","2","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.0709","0.0463","","","0.112","0.1297","","","","","","1.061","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156958","4.73","0.01","10.2","0.02","16.8","0.02","77","0.1","86","0.1","77.3","0.1","770","2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Br N2 O S -","- C16 H11 Br N2 O S -","- C32 H22 Br2 N4 O2 S2 -","2","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.1723","0.0803","","","0.2162","0.2648","","","","","","1.048","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156959","6.192","0.005","7.311","0.002","16.718","0.003","87.67","0.02","85.16","0.03","86.34","0.02","752.1","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Br N2 O -","- C18 H13 Br N2 O -","- C36 H26 Br2 N4 O2 -","2","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.077","0.0623","","","0.1719","0.1831","","","","","","1.042","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156960","8.722","0.005","9.677","0.006","11.637","0.008","101.028","0.014","103.348","0.017","112.332","0.011","840.4","0.9","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 Br Cl2 N2 O -","- C18 H11 Br Cl2 N2 O -","- C36 H22 Br2 Cl4 N4 O2 -","2","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.0484","0.0346","","","0.0814","0.0869","","","","","","1.042","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156961","11.542","0.004","12.009","0.004","14.738","0.005","100.009","0.011","105.015","0.01","117.02","0.01","1653.8","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","2","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.1601","0.1032","","","0.293","0.3322","","","","","","1.054","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156962","11.5956","0.0017","5.0269","0.0007","33","0.005","90","","92.159","0.004","90","","1922.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C76 H60 Br4 N8 O4 -","4","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.123","0.054","","","0.1289","0.1448","","","","","","0.891","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156963","9.8735","0.001","11.1925","0.0013","16.3751","0.0018","104.559","0.003","102.943","0.003","102.875","0.003","1630.5","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C80 H64 N8 O12 -","4","2","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.1062","0.0658","","","0.1675","0.1904","","","","","","1.033","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156964","5.53","0.002","12.216","0.004","32.227","0.013","90","","90","","90","","2177.1","1.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C96 H100 N4 O24 -","4","1","","Luo, Jinghua; Chen, Rongshun; Fan, Xia; Gong, Junyu; Han, Jie; He, Zhengjie","Catalytic asymmetric (4 + 1) annulation of nitroalkenes with allylic acetates: stereoselective synthesis of isoxazoline N-oxides.","Organic & biomolecular chemistry","2019","17","29","6989","6993","10.1039/c9ob01058k","","","0.71073","MoKα","","0.0916","0.0585","","","0.106","0.1182","","","","","","1.164","","","","has coordinates","225019","2020-10-21","18:00:00",""
"7156965","6.4813","0.0013","16.177","0.003","21.944","0.004","90","","90","","90","","2300.8","0.8","153","2","153.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-3-((S)-4-((2-Bromophenyl)amino)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-3-fluoro-1-methylindolin-2-one","","- C25 H20 Br F N4 O2 -","- C25 H20 Br F N4 O2 -","- C100 H80 Br4 F4 N16 O8 -","4","1","","Zhang, Qing-Da; Zhao, Bo-Liang; Li, Bing-Yu; Du, Da-Ming","Squaramide-catalyzed asymmetric Mannich reactions between 3-fluorooxindoles and pyrazolinone ketimines.","Organic & biomolecular chemistry","2019","17","30","7182","7191","10.1039/c9ob01350d","","","0.71073","MoKα","","0.0435","0.04","","","0.0857","0.0877","","","","","","1.089","","","","has coordinates","225229","2020-10-21","18:00:00",""
"7156966","9.7264","0.0007","13.0927","0.0009","11.7193","0.0008","90","","109.924","0.002","90","","1403.07","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Shirley, Harry J.; Bray, Christopher D.","A biomimetic approach towards phorone sesterterpenoids.","Organic & biomolecular chemistry","2019","17","29","6985","6988","10.1039/c9ob00745h","","","0.71075","MoKα","","0.0582","0.044","","","0.1067","0.115","","","","","","1.055","","","","has coordinates","225024","2020-10-21","18:00:00",""
"7156967","12.6454","0.0009","6.3501","0.0004","18.3909","0.0013","90","","106.614","0.003","90","","1415.13","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Shirley, Harry J.; Bray, Christopher D.","A biomimetic approach towards phorone sesterterpenoids.","Organic & biomolecular chemistry","2019","17","29","6985","6988","10.1039/c9ob00745h","","","0.71075","MoKα","","0.1215","0.0673","","","0.1526","0.1809","","","","","","1.005","","","","has coordinates","225024","2020-10-21","18:00:00",""
"7156968","9.2333","0.0003","11.1033","0.0004","11.1547","0.0003","100.671","0.002","93.538","0.002","93.953","0.002","1117.89","0.06","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H21 N O6 -","- C25 H21 N O6 -","- C50 H42 N2 O12 -","2","2","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Catalytic enantioselective Michael addition of 2-substituted benzofuran-3-ones to 2-enoyl pyridines.","Organic & biomolecular chemistry","2019","17","30","7166","7171","10.1039/c9ob01069f","","","0.71073","MoKα","","0.0701","0.0387","","","0.0916","0.1099","","","","","","0.982","","","","has coordinates,has disorder","225222","2020-10-21","18:00:00",""
"7156969","14.1242","0.0003","14.398","0.0003","20.2906","0.0006","90","","90","","90","","4126.3","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H42 N6 O11 -","- C46 H42 N6 O11 -","- C184 H168 N24 O44 -","4","1","","Miao, Yu-Hang; Hua, Yuan-Zhao; Wang, Min-Can","Dinuclear zinc cooperative catalytic three-component reactions for highly enantioselective synthesis of 3,3'-dihydrofuran spirooxindoles.","Organic & biomolecular chemistry","2019","17","30","7172","7181","10.1039/c9ob01233h","","x-ray","1.54184","CuKα","","0.0613","0.0522","","","0.1394","0.1481","","","","","","1.046","","","","has coordinates","225225","2020-10-21","18:00:00",""
"7156970","7.9383","0.0002","8.9382","0.0002","16.392","0.0005","90","","90","","90","","1163.08","0.05","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 Cl N O4 -","- C10 H19 Cl N O4 -","- C40 H76 Cl4 N4 O16 -","4","1","","Foucart, Quentin; Shimadate, Yuna; Marrot, Jérôme; Kato, Atsushi; Désiré, Jérôme; Blériot, Yves","Synthesis and glycosidase inhibition of conformationally locked DNJ and DMJ derivatives exploiting a 2-oxo-C-allyl iminosugar.","Organic & biomolecular chemistry","2019","17","30","7204","7214","10.1039/c9ob01402k","","","0.71073","MoKα","","0.0244","0.023","","","0.0625","0.0637","","","","","","1.098","","","","has coordinates","225226","2020-10-21","18:00:00",""
"7156971","12.8311","0.0009","7.0802","0.0005","12.066","0.0008","90","","90.396","0.007","90","","1096.13","0.13","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 S -","- C13 H16 S -","- C52 H64 S4 -","4","1","","Luo, Xianglin; Li, Yibiao; Chen, Xiuwen; Song, Zhiyan; Liang, Junyi; Liao, Chunshu; Zhu, Zhongzhi; Chen, Lu","(Z)-Tetrahydrothiophene and (Z)-tetrahydrothiopyran synthesis through nucleophilic substitution and intramolecular cycloaddition of alkynyl halides and EtOCS<sub>2</sub>K.","Organic & biomolecular chemistry","2019","17","31","7315","7319","10.1039/c9ob01370a","","x-ray","0.71073","MoKα","","0.0528","0.0432","","","0.1006","0.1086","","","","","","1.051","","","","has coordinates","225236","2020-10-21","18:00:00",""
"7156972","8.2455","0.0012","11.3533","0.0016","13.652","0.002","90","","90","","90","","1278","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 N2 O2 -","- C17 H12 N2 O2 -","- C68 H48 N8 O8 -","4","1","","Ahire, Milind M.; Pol, Mahesh D.; Kavale, Dattatry S.; Gonnade, Rajesh G.; Mhaske, Santosh B.","Stereoselective construction of deoxy-cruciferane alkaloids by NHC-catalyzed intramolecular annulation of homoenolate with quinazolinone.","Organic & biomolecular chemistry","2019","17","30","7135","7139","10.1039/c9ob01243e","","","1.54178","CuKα","","0.0348","0.0334","","","0.0877","0.0914","","","","","","1.056","","","","has coordinates","225224","2020-10-21","18:00:00",""
"7156973","8.7557","0.0018","14.297","0.003","16.454","0.003","90","","90","","90","","2059.7","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C92 H92 N4 O24 -","4","1","","Shahrestani, Naeimeh; Khosravi, Hormoz; Jadidi, Khosrow; Notash, Behrouz; Naderi, Soheila","Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model.","Organic & biomolecular chemistry","2019","17","29","7013","7024","10.1039/c9ob01197h","","","0.71073","MoKα","","0.1376","0.0605","","","0.125","0.1513","","","","","","0.883","","","","has coordinates","225018","2020-10-21","18:00:00",""
"7156974","8.1876","0.0016","14.121","0.003","19.915","0.004","90","","90","","90","","2302.5","0.8","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Shahrestani, Naeimeh; Khosravi, Hormoz; Jadidi, Khosrow; Notash, Behrouz; Naderi, Soheila","Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model.","Organic & biomolecular chemistry","2019","17","29","7013","7024","10.1039/c9ob01197h","","","0.71073","MoKα","","0.1373","0.0795","","","0.1219","0.1384","","","","","","1.013","","","","has coordinates","225018","2020-10-21","18:00:00",""
"7156975","8.5232","0.0017","13.562","0.003","21.283","0.004","90","","90","","90","","2460.1","0.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Shahrestani, Naeimeh; Khosravi, Hormoz; Jadidi, Khosrow; Notash, Behrouz; Naderi, Soheila","Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model.","Organic & biomolecular chemistry","2019","17","29","7013","7024","10.1039/c9ob01197h","","","0.71073","MoKα","","0.1896","0.0968","","","0.1485","0.1779","","","","","","1.018","","","","has coordinates","225018","2020-10-21","18:00:00",""
"7156976","12.9425","0.0009","15.6165","0.0011","10.6618","0.0007","90","","101.551","0.003","90","","2111.3","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 Cl2 O6 -","- C23 H20 Cl2 O6 -","- C92 H80 Cl8 O24 -","4","0.5","","Han, Wenyong; Yang, Yihui; Zhu, Yingguang; Shi, Yian","A facile copper(i)-catalyzed homo-coupling of indanone derivatives using diaziridinone under mild conditions.","Organic & biomolecular chemistry","2019","17","29","6998","7001","10.1039/c9ob00901a","","","0.71073","MoKα","","0.0493","0.0387","","","0.0956","0.1028","","","","","","1.042","","","","has coordinates","225021","2020-10-21","18:00:00",""
"7156977","8.8734","0.0003","16.0071","0.0005","14.189","0.0005","90","","100.72","0.002","90","","1980.2","0.12","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O6 -","- C24 H22 O6 -","- C96 H88 O24 -","4","1","","Han, Wenyong; Yang, Yihui; Zhu, Yingguang; Shi, Yian","A facile copper(i)-catalyzed homo-coupling of indanone derivatives using diaziridinone under mild conditions.","Organic & biomolecular chemistry","2019","17","29","6998","7001","10.1039/c9ob00901a","","","0.71073","MoKα","","0.0499","0.0395","","","0.1048","0.1138","","","","","","1.067","","","","has coordinates","225021","2020-10-21","18:00:00",""
"7156978","9.751","0.0007","16.7972","0.0013","20.8431","0.0014","90","","90","","90","","3413.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diethyl 2,2-bis(2-((1R,5R,6S,7S,10S,11S)-1,10-epoxyguaia-3-ene-6,12-olid)methyl)malonate","","","- C37 H48 O10 -","- C37 H48 O10 -","- C148 H192 O40 -","4","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","0.71073","MoKα","","0.0958","0.0616","","","0.131","0.165","","","","","","1.06","","","","has coordinates","225235","2020-10-21","18:00:00",""
"7156979","8.8852","0.0001","10.6649","0.0001","31.4503","0.0002","90","","90","","90","","2980.22","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-((Diphenylphosphoryl)methyl)dihydrofuran-2(3H)-one","","","- C17 H17 O3 P -","- C17 H17 O3 P -","- C136 H136 O24 P8 -","8","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","1.54184","CuKα","","0.0654","0.0546","","","0.1295","0.1438","","","","","","1.145","","","","has coordinates","225235","2020-10-21","18:00:00",""
"7156980","10.1251","0.0006","10.1582","0.0007","17.4602","0.0011","90","","95.237","0.004","90","","1788.3","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Diethyl 2,2-bis((2-oxotetrahydrofuran-3-yl)methyl)malonate","","","- C17 H24 O8 -","- C17 H24 O8 -","- C68 H96 O32 -","4","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","0.71073","MoKα","","0.1338","0.0709","","","0.1693","0.2134","","","","","","1.108","","","","has coordinates","225235","2020-10-21","18:00:00",""
"7156981","6.0344","0.0002","31.7014","0.001","12.0302","0.0004","90","","90","","90","","2301.36","0.13","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1R,5R,6S,7S,10S,11S)-11-((diphenylphosphoryl)methyl)-1,10-epoxyguaia-3-ene-6,12-olid","","","- C27 H29 O4 P -","- C27 H29 O4 P -","- C108 H116 O16 P4 -","4","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","1.54184","CuKα","","0.0718","0.0576","","","0.1408","0.1614","","","","","","1.087","","","","has coordinates","225235","2020-10-21","18:00:00",""
"7156982","8.04807","0.00016","20.9106","0.0006","25.9109","0.0008","109.598","0.003","95.323","0.002","99.3812","0.0019","4001.7","0.2","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H43.25 B F2 N5 O8 S -","- C42 H43.25 B F2 N5 O8 S -","- C168 H173 B4 F8 N20 O32 S4 -","4","2","","Sirbu, D.; Zeng, L.; Waddell, P. G.; Benniston, A. C.","An unprecedented oxidised julolidine-BODIPY conjugate and its application in real-time ratiometric fluorescence sensing of sulfite.","Organic & biomolecular chemistry","2019","17","31","7360","7368","10.1039/c9ob01316d","","x-ray","1.54184","CuKα","","0.0619","0.047","","","0.1177","0.1289","","","","","","1.031","","","","has coordinates,has disorder","225231","2020-10-21","18:00:00",""
"7156983","9.1911","0.0011","10.2029","0.0014","10.5844","0.0014","105.786","0.004","112.987","0.004","97.227","0.004","848.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O -","- C20 H20 N4 O -","- C40 H40 N8 O2 -","2","1","","Shiva Kumar, K.; Naikawadi, Praveen Kumar; Jatoth, Ramanna; Dandela, Rambabu","Bimetallic Cu/Pd-catalyzed three-component azide-alkyne cycloaddition/isocyanide insertion: synthesis of fully decorated tricyclic triazoles.","Organic & biomolecular chemistry","2019","17","31","7320","7324","10.1039/c9ob01175g","","","0.71073","MoKα","","0.0942","0.067","","","0.1294","0.1388","","","","","","1.148","","","","has coordinates","225233","2020-10-21","18:00:00",""
"7156984","9.0962","0.0005","10.1454","0.0006","18.0969","0.001","90","","92.369","0.002","90","","1668.64","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","1","","Shiva Kumar, K.; Naikawadi, Praveen Kumar; Jatoth, Ramanna; Dandela, Rambabu","Bimetallic Cu/Pd-catalyzed three-component azide-alkyne cycloaddition/isocyanide insertion: synthesis of fully decorated tricyclic triazoles.","Organic & biomolecular chemistry","2019","17","31","7320","7324","10.1039/c9ob01175g","","","0.71073","MoKα","","0.0575","0.046","","","0.1212","0.1325","","","","","","1.11","","","","has coordinates","225233","2020-10-21","18:00:00",""
"7156985","16.076","0.004","8.828","0.003","11.834","0.003","90","","103.487","0.01","90","","1633.2","0.8","150","","150","","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","0.5","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.1441","0.0841","","","0.2021","0.234","","","","","","1.088","","","","has coordinates,has disorder","225076","2020-10-21","18:00:00",""
"7156986","8.6965","0.0007","10.6905","0.0007","18.5537","0.0014","90","","96.339","0.003","90","","1714.4","0.2","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C88 H68 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.0466","0.0408","","","0.1047","0.1096","","","","","","1.013","","","","has coordinates","225076","2020-10-21","18:00:00",""
"7156987","11.7123","0.0012","11.9264","0.0014","14.137","0.0015","88.483","0.004","70.167","0.004","75.429","0.004","1794.1","0.3","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","2","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.0493","0.0385","","","0.0824","0.0901","","","","","","0.817","","","","has coordinates","225076","2020-10-21","18:00:00",""
"7156988","10.9939","0.0018","10.325","0.0019","15.434","0.003","90","","98.239","0.006","90","","1733.9","0.5","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N2 O5 -","- C21 H14 N2 O5 -","- C84 H56 N8 O20 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.055","0.0411","","","0.1002","0.109","","","","","","1.018","","","","has coordinates","225076","2020-10-21","18:00:00",""
"7156989","13.455","0.002","10.3927","0.0013","13.4329","0.0019","90","","95.302","0.006","90","","1870.3","0.4","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N O3 -","- C25 H17 N O3 -","- C100 H68 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.0507","0.0401","","","0.0975","0.1042","","","","","","1.049","","","","has coordinates","225076","2020-10-21","18:00:00",""
"7156990","17.209","0.003","5.034","0.0008","19.434","0.003","90","","104.812","0.005","90","","1627.6","0.5","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Mohr, Lisa-Marie; Bauer, Andreas; Jandl, Christian; Bach, Thorsten","Visible light-mediated intermolecular [2 + 2] photocycloaddition of 1-aryl-2-nitroethenes and olefins.","Organic & biomolecular chemistry","2019","17","30","7192","7203","10.1039/c9ob01146c","","x-ray","0.71073","MoKα","","0.077","0.0505","","","0.1142","0.1259","","","","","","1.032","","","","has coordinates","225227","2020-10-21","18:00:00",""
"7156991","9.899","0.002","11.547","0.003","13.186","0.003","111.235","0.017","91.111","0.016","102.013","0.016","1366.7","0.6","296","0.2","296","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 N3 O4 -","- C31 H33 N3 O4 -","- C62 H66 N6 O8 -","2","1","","Hajra, Saumen; Maity, Subrata; Roy, Sayan; Das, Dhiraj","Controlling the regioselectivity of the ring opening of spiro-epoxyoxindoles for efficient synthesis of C(3)-N(1')-bisindoles and C(3)-N(1')-diindolylmethane.","Organic & biomolecular chemistry","2019","17","33","7747","7759","10.1039/c9ob01249d","","","0.71073","MoKα","","0.1856","0.0645","","","0.0898","0.1136","","","","","","0.938","","","","has coordinates","225097","2020-10-21","18:00:00",""
"7156992","11.2334","0.0008","9.4327","0.0006","23.5205","0.0018","90","","92","0.05","90","","2490.7","0.3","296","0.2","296","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Br2 N3 O5 -","- C25 H19 Br2 N3 O5 -","- C100 H76 Br8 N12 O20 -","4","1","","Hajra, Saumen; Maity, Subrata; Roy, Sayan; Das, Dhiraj","Controlling the regioselectivity of the ring opening of spiro-epoxyoxindoles for efficient synthesis of C(3)-N(1')-bisindoles and C(3)-N(1')-diindolylmethane.","Organic & biomolecular chemistry","2019","17","33","7747","7759","10.1039/c9ob01249d","","","0.71073","MoKα","","0.0905","0.0572","","","0.1362","0.1582","","","","","","0.972","","","","has coordinates","225097","2020-10-21","18:00:00",""
"7156993","7.2208","0.0004","16.3286","0.0009","27.1076","0.0012","90","","90","","90","","3196.1","0.3","150","2","150","2","","","","","","","synthesized by the authors","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 Br N2 O4 S -","- C35 H31 Br N2 O4 S -","- C140 H124 Br4 N8 O16 S4 -","4","1","","Franc, Michael; Urban, Michal; Císařová, Ivana; Veselý, Jan","Highly enantioselective addition of sulfur-containing heterocycles to isatin-derived ketimines.","Organic & biomolecular chemistry","2019","17","31","7309","7314","10.1039/c9ob01338e","","","0.71073","MoKα","","0.0578","0.0355","","","0.0661","0.0717","","","","","","1.036","","","","has coordinates","225232","2020-10-21","18:00:00",""
"7156994","10.485","0.004","6.832","0.003","21.082","0.008","90","","90","","90","","1510.2","1","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H12 Cl3 N3 -","- C15 H12 Cl3 N3 -","- C60 H48 Cl12 N12 -","4","0.5","","Jiang, Shaohua; Yang, Zhihai; Guo, Ziyin; Li, Yibiao; Chen, Lu; Zhu, Zhongzhi; Chen, Xiuwen","Transition metal-free α-methylation of 1,8-naphthyridine derivatives using DMSO as methylation reagent.","Organic & biomolecular chemistry","2019","17","31","7416","7424","10.1039/c9ob01490j","","","0.71073","MoKα","","0.0787","0.0653","","","0.1794","0.1961","","","","","","1.063","","","","has coordinates,has disorder","225234","2020-10-21","18:00:00",""
"7156995","5.574","0.0011","12.623","0.003","14.179","0.003","110.91","0.03","95.03","0.03","95.13","0.03","920.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br2 N2 O3 -","- C18 H16 Br2 N2 O3 -","- C36 H32 Br4 N4 O6 -","2","1","","Sun, Li; Liu, Yi; Wang, Yankai; Li, Yuanyuan; Liu, Zhiwen; Lu, Tao; Li, Wenhai","An efficient synthesis of oxazolines via a cascade reaction between azaoxyallyl cations and 1,2-benzisoxazoles.","Organic & biomolecular chemistry","2019","17","32","7526","7530","10.1039/c9ob01366k","","","0.71073","MoKα","","0.2092","0.1018","","","0.2194","0.2571","","","","","","1.216","","","","has coordinates","225075","2020-10-21","18:00:00",""
"7156996","9.231","0.003","9.999","0.003","11.902","0.004","113.249","0.004","91.355","0.004","107.746","0.003","948.2","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O4 S -","- C20 H18 N2 O4 S -","- C40 H36 N4 O8 S2 -","2","1","","Tian, Ting; Dong, An-Shun; Chen, Dan; Cao, Xian-Ting; Wang, Guannan","Regioselective C-C cross-coupling of 1,2,4-thiadiazoles with maleimides through iridium-catalyzed C-H activation.","Organic & biomolecular chemistry","2019","17","33","7664","7668","10.1039/c9ob01539f","","","0.71073","MoKα","","0.0647","0.046","","","0.1133","0.1258","","","","","","1.054","","","","has coordinates","225095","2020-10-21","18:00:00",""
"7156997","10.1856","0.0014","16.187","0.002","11.0278","0.0015","90","","91.519","0.005","90","","1817.6","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H28 Cu0.5 N O7 -","- C15 H28 Cu0.5 N O7 -","- C60 H112 Cu2 N4 O28 -","4","1","","Kirillova, Marina V.; Fernandes, Tiago A.; André, Vânia; Kirillov, Alexander M.","Mild C-H functionalization of alkanes catalyzed by bioinspired copper(ii) cores.","Organic & biomolecular chemistry","2019","17","33","7706","7714","10.1039/c9ob01442j","","","0.71069","MoKα","","0.1047","0.0767","","","0.211","0.2347","","","","","","1.061","","","","has coordinates","225096","2020-10-21","18:00:00",""
"7156998","10.6013","0.0006","25.155","0.0013","8.9311","0.0004","90","","109.342","0.002","90","","2247.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cu N O6 -","- C23 H31 Cu N O6 -","- C92 H124 Cu4 N4 O24 -","4","1","","Kirillova, Marina V.; Fernandes, Tiago A.; André, Vânia; Kirillov, Alexander M.","Mild C-H functionalization of alkanes catalyzed by bioinspired copper(ii) cores.","Organic & biomolecular chemistry","2019","17","33","7706","7714","10.1039/c9ob01442j","","","0.71069","MoKα","","0.1572","0.1015","","","0.1928","0.2197","","","","","","1.065","","","","has coordinates,has disorder","225096","2020-10-21","18:00:00",""
"7156999","16.608","0.002","11.434","0.004","16.771","0.004","90","","100.803","0.006","90","","3128.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cu2 N2 O8 -","- C30 H44 Cu2 N2 O8 -","- C120 H176 Cu8 N8 O32 -","4","1","","Kirillova, Marina V.; Fernandes, Tiago A.; André, Vânia; Kirillov, Alexander M.","Mild C-H functionalization of alkanes catalyzed by bioinspired copper(ii) cores.","Organic & biomolecular chemistry","2019","17","33","7706","7714","10.1039/c9ob01442j","","","0.71069","MoKα","","0.1286","0.0574","","","0.1368","0.1642","","","","","","0.9","","","","has coordinates","225096","2020-10-21","18:00:00",""
"7157000","11.1159","0.0001","13.1734","0.0001","28.2695","0.0003","90","","96.402","0.001","90","","4113.81","0.07","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H26 N2 S -","- C24 H26 N2 S -","- C192 H208 N16 S8 -","8","2","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0254","0.0253","","","0.0677","0.0678","","","","","","1.038","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157001","17.6143","0.0004","8.8624","0.00016","29.0155","0.0006","90","","98.484","0.002","90","","4479.9","0.16","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 S -","- C26 H30 N2 S -","- C208 H240 N16 S8 -","8","4","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0715","0.0514","","","0.1112","0.1208","","","","","","0.961","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157002","11.09166","0.00008","13.89141","0.00009","34.8221","0.0003","90","","90","","90","","5365.35","0.07","130","2","130","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H37 N3 O2 S -","- C28 H37 N3 O2 S -","- C224 H296 N24 O16 S8 -","8","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0376","0.0373","","","0.0852","0.0853","","","","","","1.161","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157003","9.16773","0.00005","14.33308","0.00008","15.08193","0.00008","90","","104.093","0.0005","90","","1922.15","0.019","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H44 N4 S2 -","- C46 H44 N4 S2 -","- C92 H88 N8 S4 -","2","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0271","0.0265","","","0.0677","0.0685","","","","","","1.019","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157004","8.73671","0.00017","8.73671","0.00017","56.4484","0.001","90","","90","","90","","4308.71","0.14","130","2","130","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C25 H28 N2 S -","- C25 H28 N2 S -","- C200 H224 N16 S8 -","8","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0365","0.0356","","","0.0841","0.0846","","","","","","1.065","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157005","9.6029","0.00007","10.57062","0.00006","23.0787","0.00013","90","","90","","90","","2342.69","0.03","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 S -","- C28 H32 N2 S -","- C112 H128 N8 S4 -","4","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0232","0.0231","","","0.0637","0.0638","","","","","","1.061","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157006","12.9053","0.0001","12.9053","0.0001","16.087","0.0001","90","","90","","90","","2679.24","0.03","130","2","130","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C11 H24 N2 S -","- C11 H24 N2 S -","- C88 H192 N16 S8 -","8","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0282","0.0272","","","0.0702","0.0711","","","","","","1.067","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157007","9.0135","0.0002","9.2173","0.0002","10.0939","0.0002","100.231","0.002","94.54","0.002","112.553","0.002","752.08","0.03","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H38 N4 S2 -","- C35 H38 N4 S2 -","- C35 H38 N4 S2 -","1","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0398","0.0397","","","0.1091","0.1093","","","","","","1.163","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157008","10.168","0.00005","14.93848","0.00008","16.29099","0.00008","90","","99.1361","0.0005","90","","2443.12","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N3 S2 -","- C27 H27 N3 S2 -","- C108 H108 N12 S8 -","4","2","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0308","0.0289","","","0.0733","0.0754","","","","","","1.045","","","","has coordinates,has disorder","225094","2020-10-21","18:00:00",""
"7157009","14.3834","0.0002","10.6941","0.0001","29.8026","0.0006","90","","98.643","0.002","90","","4532.1","0.12","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H30 N3 O0.5 S -","- C26 H29.84 N3 O0.4925 S -","- C208 H238.72 N24 O3.94 S8 -","8","2","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0614","0.0537","","","0.1446","0.1525","","","","","","1.068","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157010","8.81055","0.0001","20.08758","0.00017","9.52368","0.00011","90","","112.355","0.0013","90","","1558.85","0.03","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H38.32 N4 O0.16 S2 -","- C35 H38.324 N4 O0.162 S2 -","- C70 H76.648 N8 O0.324 S4 -","2","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0334","0.032","","","0.0829","0.0852","","","","","","1.037","","","","has coordinates,has disorder","225094","2020-10-21","18:00:00",""
"7157011","6.3862","0.0003","8.2346","0.0004","17.2255","0.0012","100.358","0.005","97.648","0.005","95.824","0.004","875.83","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C42 H44 O6 -","2","1","","Liang, Yi-En; Lu, Chia-Ling; Li, Wen-Tai","Pd-Catalyzed sequential hydroarylation and olefination reactions of 3-allylchromones.","Organic & biomolecular chemistry","2019","17","32","7569","7583","10.1039/c9ob01147a","","","0.71073","MoKα","","0.0861","0.0618","","","0.1916","0.2156","","","","","","1.329","","","","has coordinates","225074","2020-10-21","18:00:00",""
"7157012","25.978","0.002","16.4871","0.0015","16.06","0.0014","90","","94.502","0.001","90","","6857.3","1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H80 N2 O4 -","- C80 H80 N2 O4 -","- C320 H320 N8 O16 -","4","0.5","","Wang, Lijiao; Hao, Wei; Han, Yanbing; Shi, Yamei; Li, Shuzhou; Zhang, Chunfang; Xiao, Jinchong","Facile and versatile access to substituted hexabenzoovalene derivatives: characterization and optoelectronic properties.","Organic & biomolecular chemistry","2019","17","34","7964","7972","10.1039/c9ob01446b","","","0.71073","MoKα","","0.108","0.0571","","","0.1603","0.1792","","","","","","1.033","","","","has coordinates,has disorder","225285","2020-10-21","18:00:00",""
"7157013","13.351","0.004","25.715","0.007","5.749","0.0017","90","","90","","90","","1973.8","1","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H20 Br N O2 -","- C23 H20 Br N O2 -","- C92 H80 Br4 N4 O8 -","4","1","","Mondal, Buddhadeb; Balha, Megha; Pan, Subhas Chandra","Organocatalytic asymmetric spirocyclization reactions of cyclic 2,4-dienones with cyanoketones: synthesis of spiro-dihydropyrano cyclohexanones.","Organic & biomolecular chemistry","2019","17","34","7849","7853","10.1039/c9ob01415b","","","0.71073","MoKα","","0.1851","0.1147","","","0.234","0.2477","","","","","","1.88","","","","has coordinates","225284","2020-10-21","18:00:00",""
"7157014","17.2809","0.0013","16.3497","0.0012","16.6811","0.0013","90","","104.161","0.002","90","","4569.8","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Yoav333b (Hila)","","","- C48 H69 D2 N O3 Si2 -","- C48 H71 N O3 Si2 -","- C192 H284 N4 O12 Si8 -","4","1","","Toledo, Hila; Tumanskii, Boris; Sabirov, Denis Sh; Kaushansky, Alexander; Fridman, Natalia; Szpilman, Alex M.","First α-deuterium nitroxides; synthesis and EPR study.","Organic & biomolecular chemistry","2019","17","34","7900","7906","10.1039/c9ob01127g","","","0.71073","MoKα","","0.0789","0.0506","","","0.1347","0.1476","","","","","","1.056","","","","has coordinates,has disorder","225283","2020-10-21","18:00:00",""
"7157015","12.1351","0.0006","8.4982","0.0004","26.9828","0.0018","90","","95.024","0.004","90","","2772","0.3","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C31 H26 N2 O4 S -","- C31 H26 N2 O4 S -","- C124 H104 N8 O16 S4 -","4","1","","Hajra, Saumen; Bhosale, Suhas Shivajirao; Hazra, Atanu; Kanaujia, Nikhil","The one pot asymmetric synthesis of 3,3'-pyrrolidonyl spiroxindoles via a regio- and stereoselective domino reaction.","Organic & biomolecular chemistry","2019","17","35","8140","8148","10.1039/c9ob01570a","","","0.71073","MoKα","","0.0784","0.0528","","","0.1122","0.123","","","","","","0.944","","","","has coordinates","225271","2020-10-21","18:00:00",""
"7157016","9.5972","0.0006","11.9696","0.0008","14.6218","0.0009","104.321","0.002","91.69","0.002","113.084","0.002","1482.02","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 N4 O3 -","- C36 H32 N4 O3 -","- C72 H64 N8 O6 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1194","0.0608","","","0.1348","0.1584","","","","","","1.017","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157017","11.917","0.003","17.27","0.005","15.382","0.004","90","","92.563","0.009","90","","3162.6","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 N4 O3 -","- C36 H30 Cl2 N4 O3 -","- C144 H120 Cl8 N16 O12 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1209","0.0765","","","0.2138","0.2328","","","","","","1.098","","","","has coordinates,has disorder","225282","2020-10-21","18:00:00",""
"7157018","8.8593","0.0009","22.333","0.002","15.6805","0.0015","90","","98.73","0.003","90","","3066.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Br N3 O4 -","- C35 H28 Br N3 O4 -","- C140 H112 Br4 N12 O16 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.0983","0.079","","","0.2088","0.2362","","","","","","1.031","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157019","9.5329","0.0006","12.0116","0.0009","26.3133","0.0017","90","","92.348","0.002","90","","3010.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N5 O5 -","- C34 H25 N5 O5 -","- C136 H100 N20 O20 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1233","0.0762","","","0.1962","0.2196","","","","","","1.032","","","","has coordinates,has disorder","225282","2020-10-21","18:00:00",""
"7157020","9.539","0.0012","20.876","0.003","14.712","0.002","90","","108.212","0.005","90","","2782.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 N3 O3 -","- C36 H27 N3 O3 -","- C144 H108 N12 O12 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1255","0.0669","","","0.1336","0.1537","","","","","","1.061","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157021","7.792","0.0005","12.8131","0.0008","14.7154","0.0009","96.214","0.002","96.001","0.002","98.326","0.002","1434.32","0.16","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H29 N5 O2 -","- C36 H29 N5 O2 -","- C72 H58 N10 O4 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1027","0.0518","","","0.1087","0.1269","","","","","","1.012","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157022","7.9255","0.001","12.9254","0.0015","15.224","0.002","92.788","0.004","101.518","0.004","99.593","0.004","1501.3","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 Br Cl N5 O2 -","- C35 H25 Br Cl N5 O2 -","- C70 H50 Br2 Cl2 N10 O4 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1237","0.0724","","","0.171","0.2009","","","","","","1.02","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157023","7.9473","0.0008","12.8859","0.0014","15.2264","0.0016","93.496","0.003","101.326","0.003","98.939","0.003","1503.6","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Br N5 O2 -","- C36 H28 Br N5 O2 -","- C72 H56 Br2 N10 O4 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1003","0.0636","","","0.1687","0.1949","","","","","","1.016","","","","has coordinates,has disorder","225282","2020-10-21","18:00:00",""
"7157024","33.399","0.003","7.9839","0.0007","26.148","0.003","90","","110.495","0.003","90","","6531.1","1.1","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 Cl2 F N5 O3 -","- C37 H30 Cl2 F N5 O3 -","- C296 H240 Cl16 F8 N40 O24 -","8","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.0982","0.0643","","","0.1624","0.1833","","","","","","1.036","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157025","15.553","0.0009","8.7812","0.0006","22.8541","0.0013","90","","106.896","0.0017","90","","2986.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 Br N3 O4 -","- C35 H28 Br N3 O4 -","- C140 H112 Br4 N12 O16 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1433","0.0682","","","0.1639","0.1958","","","","","","1.03","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157026","11.932","0.002","7.8696","0.0017","16.941","0.004","90","","106.606","0.007","90","","1524.4","0.6","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H31 N5 O3 -","- C37 H31 N5 O3 -","- C74 H62 N10 O6 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1509","0.0816","","","0.2124","0.2581","","","","","","0.972","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157027","7.9066","0.0007","12.8759","0.0012","15.1112","0.0012","93.932","0.003","100.459","0.003","98.838","0.003","1487.5","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl N5 O2 -","- C36 H28 Cl N5 O2 -","- C72 H56 Cl2 N10 O4 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1593","0.0705","","","0.1395","0.1706","","","","","","1.016","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157028","9.696","0.004","24.284","0.009","12.449","0.005","90","","100.612","0.011","90","","2881","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N4 O3 -","- C36 H28 N4 O3 -","- C144 H112 N16 O12 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.2923","0.0925","","","0.1603","0.2236","","","","","","1.014","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157030","8.1478","0.0003","12.7979","0.0004","15.6927","0.0005","90","","101.559","0.001","90","","1603.17","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H40 Cl3 N O9 -","- C31 H40 Cl3 N O9 -","- C62 H80 Cl6 N2 O18 -","2","1","","Wang, Wen-Xuan; Cheng, Gui-Guang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Li, Jing; Feng, Tao; Liu, Ji-Kai","Curtachalasins, immunosuppressive agents from the endophytic fungus Xylaria cf. curta.","Organic & biomolecular chemistry","2019","17","34","7985","7994","10.1039/c9ob01552c","","","1.54178","CuKα","","0.0725","0.071","","","0.1882","0.19","","","","","","1.101","","","","has coordinates,has disorder","225280","2020-10-21","18:00:00",""
"7157031","10.9844","0.0004","12.425","0.0005","19.6238","0.0008","90","","90","","90","","2678.28","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N O7 -","- C30 H37 N O7 -","- C120 H148 N4 O28 -","4","1","","Wang, Wen-Xuan; Cheng, Gui-Guang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Li, Jing; Feng, Tao; Liu, Ji-Kai","Curtachalasins, immunosuppressive agents from the endophytic fungus Xylaria cf. curta.","Organic & biomolecular chemistry","2019","17","34","7985","7994","10.1039/c9ob01552c","","","1.54178","CuKα","","0.0325","0.0311","","","0.0772","0.0786","","","","","","1.034","","","","has coordinates","225280","2020-10-21","18:00:00",""
"7157032","11.2462","0.0014","16.3107","0.0019","25.345","0.003","90","","90","","90","","4649.1","1","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H45 N O13 -","- C47 H45 N O13 -","- C188 H180 N4 O52 -","4","1","","Lu, Kui; Li, Ming; Huang, Yuna; Sun, Yuanyuan; Gong, Zhi; Wei, Qijun; Zhao, Xia; Zhang, Yongmin; Yu, Peng","Total synthesis of wikstrol A and wikstrol B.","Organic & biomolecular chemistry","2019","17","35","8206","8213","10.1039/c9ob01219b","","","","","","0.105","","","","","","","","","","","","","","","has coordinates","225272","2020-10-21","18:00:00",""
"7157033","22.6531","0.001","11.2558","0.0004","20.1149","0.0009","90","","105.379","0.001","90","","4945.2","0.4","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 N O4 P -","- C29 H24 N O4 P -","- C232 H192 N8 O32 P8 -","8","1","","Hou, Hong; Xu, Yue; Yang, Haibo; Yan, Chaoguo; Shi, Yaocheng; Zhu, Shaoqun","Regioselective radical arylation: silver-mediated synthesis of 3-phosphorylated coumarins, quinolin-2(1H)-one and benzophosphole oxides.","Organic & biomolecular chemistry","2019","17","35","8175","8184","10.1039/c9ob01585j","","","0.71073","MoKα","","0.1032","0.0552","","","0.1239","0.1457","","","","","","1.0759","","","","has coordinates","225276","2020-10-21","18:00:00",""
"7157034","10.4035","0.0016","10.59","0.0016","13.0053","0.0019","89.785","0.005","77.673","0.005","69.24","0.004","1304.9","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 N O2 P -","- C31 H28 N O2 P -","- C62 H56 N2 O4 P2 -","2","1","","Hou, Hong; Xu, Yue; Yang, Haibo; Yan, Chaoguo; Shi, Yaocheng; Zhu, Shaoqun","Regioselective radical arylation: silver-mediated synthesis of 3-phosphorylated coumarins, quinolin-2(1H)-one and benzophosphole oxides.","Organic & biomolecular chemistry","2019","17","35","8175","8184","10.1039/c9ob01585j","","","0.71073","MoKα","","0.1853","0.0768","","","0.1396","0.1745","","","","","","1.0676","","","","has coordinates","225276","2020-10-21","18:00:00",""
"7157035","17.0617","0.0008","13.611","0.0006","11.3034","0.0006","90","","106.03","0.002","90","","2522.9","0.2","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 O3 P -","- C31 H27 O3 P -","- C124 H108 O12 P4 -","4","1","","Hou, Hong; Xu, Yue; Yang, Haibo; Yan, Chaoguo; Shi, Yaocheng; Zhu, Shaoqun","Regioselective radical arylation: silver-mediated synthesis of 3-phosphorylated coumarins, quinolin-2(1H)-one and benzophosphole oxides.","Organic & biomolecular chemistry","2019","17","35","8175","8184","10.1039/c9ob01585j","","","0.71073","MoKα","","0.0933","0.0565","","","0.1418","0.1596","","","","","","1.0516","","","","has coordinates","225276","2020-10-21","18:00:00",""
"7157036","13.387","0.0008","12.8591","0.0008","12.5553","0.0008","90","","90","","90","","2161.3","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H24 N2 O -","- C28 H24 N2 O -","- C112 H96 N8 O4 -","4","1","","Magyar, Christina L.; Wall, Tyler J.; Davies, Steven B.; Campbell, Molly V.; Barna, Haven A.; Smith, Sydney R.; Savich, Christopher J.; Mosey, R. Adam","Triflic anhydride mediated synthesis of 3,4-dihydroquinazolines: a three-component one-pot tandem procedure.","Organic & biomolecular chemistry","2019","17","34","7995","8000","10.1039/c9ob01596e","","","0.71073","MoKα","","0.0478","0.04","","","0.0967","0.1035","","","","","","1.055","","","","has coordinates","225281","2020-10-21","18:00:00",""
"7157037","9.97968","0.00004","10.81315","0.00005","27.7238","0.00012","90","","90","","90","","2991.72","0.02","283","9","283","9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 O6 -","- C31 H45 O6 -","- C124 H180 O24 -","4","1","","Duan, Yulin; Xie, Shuangshuang; Guo, Yi; Qiao, Yuben; Shi, Zhengyi; Tao, Li; Deng, Mengyi; Cao, Yunfang; Xue, Yongbo; Qi, Changxing; Zhang, Yonghui","Przewalcyrones A-F, epoxychromene-containing polycyclic polyprenylated acylphloroglucinols with immunosuppressive activity from Hypericum przewalskii Maxim.","Organic & biomolecular chemistry","2019","17","35","8234","8242","10.1039/c9ob01500k","","x-ray","1.54184","CuKα","","0.0419","0.0414","","","0.1248","0.1254","","","","","","1.03","","","","has coordinates","225278","2020-10-21","18:00:00",""
"7157038","17.483","0.005","8.483","0.005","24.544","0.005","90","0.005","97.103","0.005","90","0.005","3612","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 N O9 S -","- C39 H39 N O9 S -","- C156 H156 N4 O36 S4 -","4","1","","Verma, Kamal; Taily, Irshad Maajid; Banerjee, Prabal","Exploitation of donor-acceptor cyclopropanes and N-sulfonyl 1-azadienes towards the synthesis of spiro-cyclopentane benzofuran derivatives.","Organic & biomolecular chemistry","2019","17","35","8149","8152","10.1039/c9ob01369e","","","0.71073","MoKα","","0.1927","0.1027","","","0.1496","0.1748","","","","","","1.165","","","","has coordinates","225275","2020-10-21","18:00:00",""
"7157039","9.539","0.005","9.87","0.005","15.022","0.005","95.665","0.005","97.294","0.005","99.247","0.005","1374.4","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H30 O7 -","- C31 H30 O7 -","- C62 H60 O14 -","2","1","","Verma, Kamal; Taily, Irshad Maajid; Banerjee, Prabal","Exploitation of donor-acceptor cyclopropanes and N-sulfonyl 1-azadienes towards the synthesis of spiro-cyclopentane benzofuran derivatives.","Organic & biomolecular chemistry","2019","17","35","8149","8152","10.1039/c9ob01369e","","","0.71073","MoKα","","0.1477","0.0806","","","0.197","0.232","","","","","","1.037","","","","has coordinates","225275","2020-10-21","18:00:00",""
"7157040","9.0014","0.0013","9.5478","0.0013","23.864","0.003","91.65","0.002","95.15","0.002","113.925","0.002","1862.4","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H38 N2 O6 -","- C48 H38 N2 O6 -","- C96 H76 N4 O12 -","2","1","","Muthusamy, Sengodagounder; Prabu, Ammasi; Suresh, Eringathodi","Copper-catalyzed synthesis of spiro-indolofurobenzopyrans: tandem reactions of diazoamides and O-propargyl salicylaldehydes.","Organic & biomolecular chemistry","2019","17","35","8088","8093","10.1039/c9ob01275c","","","0.71073","MoKα","","0.052","0.0465","","","0.1249","0.1282","","","","","","1.099","","","","has coordinates","225273","2020-10-21","18:00:00",""
"7157041","14.4652","0.0012","15.665","0.003","8.435","0.002","90","","91.931","0.007","90","","1910.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3-(6,7-dihydro-5H-[1,2,3]triazolo[5',1':3,4][1,4]diazepino[1,2-a]indole-1-carbonyl)phenyl)acetamide","","- C22 H19 N5 O2 -","- C22 H19 N5 O2 -","- C88 H76 N20 O8 -","4","1","","Gour, Jitendra; Gatadi, Srikanth; Akunuri, Ravikumar; Yaddanapudi, Madhavi Venkata; Nengroo, Mushtaq Ahmad; Datta, Dipak; Chopra, Sidharth; Nanduri, Srinivas","Catalyst-free facile synthesis of polycyclic indole/pyrrole substituted-1,2,3-triazoles.","Organic & biomolecular chemistry","2019","17","35","8153","8165","10.1039/c9ob01560d","","","0.71073","MoKα","","0.0772","0.0533","","","0.1497","0.1703","","","","","","1.172","","","","has coordinates,has disorder","225274","2020-10-21","18:00:00",""
"7157042","10.4975","0.0002","14.8593","0.0004","7.2597","0.0002","90","","101.37","0.001","90","","1110.18","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","RSR-4e","","- C12 H6 Cl2 N2 O2 -","- C12 H6 Cl2 N2 O2 -","- C48 H24 Cl8 N8 O8 -","4","1","","Sreenivasa Rao, Ramana; Shajan, Femil Joseph; Reddy, D. Srinivasa","A route to access imidazol[1,5-a]indole-1,3-diones and pyrrolo[1,2-c]imidazole-1,3-diones.","Organic & biomolecular chemistry","2019","17","36","8384","8390","10.1039/c9ob01462d","","","0.71073","MoKα","","0.0544","0.0398","","","0.0753","0.0801","","","","","","1.071","","","","has coordinates,has disorder","225269","2020-10-21","18:00:00",""
"7157043","7","0.0003","10.6452","0.0005","18.2521","0.0008","90","","98.614","0.001","90","","1344.74","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br N2 -","- C18 H13 Br N2 -","- C72 H52 Br4 N8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.0367","0.0271","","","0.0645","0.0684","","","","","","1.022","","","","has coordinates","225277","2020-10-21","18:00:00",""
"7157044","7.50014","0.00011","16.7058","0.0002","22.9329","0.0003","90","","90","","90","","2873.4","0.07","100.03","0.1","100.03","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4,9,11-Tetraphenylquinazolino[7,8-h]quinazolinium perchlorate","","- C38 H25 Cl N4 O4 -","- C38 H25 Cl N4 O4 -","- C152 H100 Cl4 N16 O16 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","x-ray","1.54184","CuKα","","0.0423","0.0393","","","0.1024","0.1055","","","","","","1.055","","","","has coordinates,has disorder","225277","2020-10-21","18:00:00",""
"7157045","20.993","0.007","16.92","0.006","13.496","0.005","90","","119.796","0.006","90","","4160","3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 N5 O7 -","- C24 H15 N5 O7 -","- C192 H120 N40 O56 -","8","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.1716","0.0936","","","0.1478","0.1758","","","","","","1.075","","","","has coordinates,has disorder","225277","2020-10-21","18:00:00",""
"7157046","4.6952","0.001","20.135","0.004","14.864","0.003","90","","93.406","0.004","90","","1402.7","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Ethoxycarbamoylpyrido[2,3-e]acenaphthene","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.0991","0.085","","","0.1778","0.1877","","","","","","1.004","","","","has coordinates","225277","2020-10-21","18:00:00",""
"7157047","21.179","0.004","7.379","0.0015","22.305","0.004","90","","96.923","0.004","90","","3460.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C192 H144 N16 O8 -","8","2","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.1047","0.0663","","","0.1211","0.1296","","","","","","1.01","","","","has coordinates","225277","2020-10-21","18:00:00",""
"7157048","10.755","0.003","14.1162","0.0014","15.1222","0.0015","117.094","0.002","99.24","0.002","90.86","0.002","2007.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.67 N2 O1.33 -","- C18 H14.6667 N2 O1.33333 -","- C108 H88 N12 O8 -","6","3","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.1275","0.0523","","","0.0818","0.0998","","","","","","1.011","","","","has coordinates,has disorder","225277","2020-10-21","18:00:00",""
"7157049","10.238","0.0004","10.6914","0.0005","19.2761","0.0008","90","","90","","90","","2109.93","0.16","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Br N5 O3 -","- C22 H22 Br N5 O3 -","- C88 H88 Br4 N20 O12 -","4","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.0213","0.0196","","","0.0435","0.0441","","","","","","1.044","","","","has coordinates","225264","2020-10-21","18:00:00",""
"7157050","17.594","0.002","10.7941","0.0013","25.355","0.003","90","","90","","90","","4815.2","1","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 Br N5 O3 -","- C26 H24 Br N5 O3 -","- C208 H192 Br8 N40 O24 -","8","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.0565","0.0366","","","0.0747","0.0821","","","","","","1.018","","","","has coordinates","225264","2020-10-21","18:00:00",""
"7157051","20.5473","0.0009","10.6285","0.0004","22.3229","0.001","90","","108.475","0.001","90","","4623.8","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 Br N5 O3 -","- C23 H24 Br N5 O3 -","- C184 H192 Br8 N40 O24 -","8","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.0464","0.033","","","0.0757","0.0812","","","","","","1.027","","","","has coordinates","225264","2020-10-21","18:00:00",""
"7157052","11.1047","0.0006","9.546","0.0005","22.3027","0.0013","90","","102.179","0.001","90","","2311","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl N3 O3 -","- C26 H26 Cl N3 O3 -","- C104 H104 Cl4 N12 O12 -","4","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","1.54178","CuKα","","0.0332","0.0322","","","0.0782","0.0789","","","","","","1.051","","","","has coordinates","225264","2020-10-21","18:00:00",""
"7157053","9.7016","0.0006","11.8988","0.0007","12.2186","0.0007","65.813","0.002","85.063","0.002","89.505","0.002","1281.34","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Br N3 O3 -","- C30 H28 Br N3 O3 -","- C60 H56 Br2 N6 O6 -","2","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.033","0.0279","","","0.0663","0.0684","","","","","","1.041","","","","has coordinates","225264","2020-10-21","18:00:00",""
"7157054","8.1114","0.0012","35.404","0.003","9.9824","0.0015","90","","104.195","0.016","90","","2779.2","0.7","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Br N O6 -","- C33 H30 Br N O6 -","- C132 H120 Br4 N4 O24 -","4","1","","Zhang, Wen-Hui; Zhou, Yan-You; He, Xue-Wen; Gong, Yi; Liu, Xiong-Li; Zhou, Ying","An asymmetric iminium ion catalysis-enabled cascade cycloaddition reaction of chromone-oxindole synthons with enals: construction of a spirooxindole-hexahydroxanthone framework.","Organic & biomolecular chemistry","2019","17","36","8369","8373","10.1039/c9ob01670h","","x-ray","1.54184","CuKα","","0.1422","0.0809","","","0.1684","0.2052","","","","","","1.028","","","","has coordinates","225263","2020-10-21","18:00:00",""
"7157055","28.608","0.003","28.608","0.003","11.5472","0.0012","90","","90","","120","","8184.3","1.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C432 H396 N36 O18 -","18","1","","Xu, Shengbo; Qiao, Shanshan; Sun, Song; Yu, Jin-Tao; Cheng, Jiang","Rhodium-catalyzed C-H activation/annulation of amidines with 4-diazoisochroman-3-imines toward isochromeno[3,4-c]isoquinolines.","Organic & biomolecular chemistry","2019","17","36","8417","8424","10.1039/c9ob01612k","","","1.34139","GaKα","","0.072","0.0577","","","0.1626","0.1796","","","","","","1.028","","","","has coordinates","225266","2020-10-21","18:00:00",""
"7157056","10.416","0.0016","20.705","0.003","10.7592","0.0019","90","","98.861","0.013","90","","2292.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C120 H88 N8 O16 -","8","2","","Pan, Jin-Long; Liu, Tuan-Qing; Chen, Chao; Li, Quan-Zhe; Jiang, Wei; Ding, Tong-Mei; Yan, Zhi-Qiang; Zhu, Guo-Dong","Rhodium(iii)-catalysed cascade [3 + 2] annulation of N-aryloxyacetamides with 3-(hetero)arylpropiolic acids: synthesis of benzofuran-2(3H)-ones.","Organic & biomolecular chemistry","2019","17","37","8589","8600","10.1039/c9ob01553a","","","1.54178","CuKα","","0.0338","0.0309","","","0.0836","0.0872","","","","","","0.678","","","","has coordinates","225062","2020-10-21","18:00:00",""
"7157057","11.34869","0.00014","12.79403","0.00016","14.62274","0.00018","90","","90","","90","","2123.16","0.05","293","2","293","2","","","","","","","Emericella sp. XL029","3","P 21 21 21","P 2ac 2ab","19","","Emerone A","","- C22 H32 O8 -","- C9.77778 H13.3333 O4 -","- C88 H120 O36 -","9","2.25","","Chen, Heng-Ye; Liu, Ting-Kai; Yang, Jian; Yang, Xiao-Long","Emerones A-C: three novel merosesquiterpenoids with unprecedented skeletons from Emericella sp. XL029.","Organic & biomolecular chemistry","2019","17","36","8450","8455","10.1039/c9ob01788g","","","1.54184","CuKα","","0.0496","0.0491","","","0.1157","0.1163","","","","","","1.161","","","","has coordinates","225267","2020-10-21","18:00:00",""
"7157058","7.68291","0.00011","12.60214","0.00017","21.2697","0.0003","90","","90","","90","","2059.36","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Emerone B","","- C21 H30 O7 -","- C9.77778 H13.3333 O3.11111 -","- C88 H120 O28 -","9","2.25","","Chen, Heng-Ye; Liu, Ting-Kai; Yang, Jian; Yang, Xiao-Long","Emerones A-C: three novel merosesquiterpenoids with unprecedented skeletons from Emericella sp. XL029.","Organic & biomolecular chemistry","2019","17","36","8450","8455","10.1039/c9ob01788g","","","1.54184","CuKα","","0.0336","0.0329","","","0.0839","0.0848","","","","","","1.079","","","","has coordinates","225267","2020-10-21","18:00:00",""
"7157059","18.3522","0.0013","11.8099","0.0008","10.9691","0.0005","90","","97.346","0.006","90","","2357.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 F2 N4 S -","- C25 H28 F2 N4 S -","- C100 H112 F8 N16 S4 -","4","1","","Peng, Xiangjun; Qin, Feng; Xu, Mengyue; Zhu, Shaojie; Pan, Yingming; Tang, Haitao; Meng, Xiujin; Wang, Hengshan","Synthesis of imidazo[1,2-c]thiazoles through Pd-catalyzed bicyclization of tert-butyl isonitrile with thioamides.","Organic & biomolecular chemistry","2019","17","36","8403","8407","10.1039/c9ob01664c","","x-ray","1.54184","CuKα","","0.107","0.0844","","","0.3912","0.245","","","","","","1.076","","","","has coordinates","225265","2020-10-21","18:00:00",""
"7157060","8.7442","0.001","11.0021","0.0012","14.959","0.0016","95.314","0.001","106.955","0.001","109.24","0.001","1271","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl2 N2 O2 S -","- C26 H24 Cl2 N2 O2 S -","- C52 H48 Cl4 N4 O4 S2 -","2","1","","Wu, Hao; Liu, Yu; He, Ming-Xing; Wen, Hao; Cao, Wei; Chen, Ping; Tang, Yu","Preparation of isoquinazolines via metal-free [4 + 2] cycloaddition of ynamides with nitriles.","Organic & biomolecular chemistry","2019","17","36","8408","8416","10.1039/c9ob01395d","","","0.71073","MoKα","","0.0693","0.0439","","","0.1046","0.1168","","","","","","1.028","","","","has coordinates","225270","2020-10-21","18:00:00",""
"7157061","32.295","0.004","10.4015","0.0011","30.021","0.004","90","","102.706","0.003","90","","9838","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H21 N O2 S2 -","- C31 H21 N O2 S2 -","- C496 H336 N16 O32 S32 -","16","2","","Price, Jayden; Albright, Emily; Decken, Andreas; Eisler, Sara","Thioarylmaleimides: Accessible, tunable, and strongly emissive building blocks","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01741K","","x-ray","0.71073","MoKα","","0.045","0.0354","","","0.0877","0.0937","","","","","","1.02","","","","has coordinates","217954","2020-10-21","18:00:00",""
"7157062","9.3497","0.00018","9.15478","0.00016","21.8715","0.0004","90","","92.8985","0.0015","90","","1869.68","0.06","293.1","0.3","293.1","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Chen, Lian-Mei; Zhao, Juan; Xia, An-Jie; Guo, Xiao-Qiang; Gan, Ya; Zhou, Chuang; Yang, Zai-Jun; Yang, Jun; Kang, Tai-Ran","A base-promoted cascade reaction of α,β-unsaturated N-tosylhydrazones with o-hydroxybenzyl alcohols: highly regioselective synthesis of N-sec-alkylpyrazoles.","Organic & biomolecular chemistry","2019","17","37","8561","8570","10.1039/c9ob01780a","","x-ray","1.54184","CuKα","","0.0574","0.0505","","","0.1393","0.151","","","","","","1.027","","","","has coordinates","225061","2020-10-21","18:00:00",""
"7157063","8.94","0.0007","10.9431","0.0008","14.3252","0.0012","90","","101.51","0.008","90","","1373.27","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 F2 N2 O -","- C17 H12 F2 N2 O -","- C68 H48 F8 N8 O4 -","4","1","","Chen, Guojun; Li, Chenglong; Peng, Jianfeng; Yuan, Zeli; Liu, Peijun; Liu, Xiaozu","Silver-promoted decarboxylative radical addition/annulation of oxamic acids with gem-difluoroolefins: concise access to CF<sub>2</sub>-containing 3,4-dihydroquinolin-2-ones.","Organic & biomolecular chemistry","2019","17","37","8527","8532","10.1039/c9ob01236b","","x-ray","0.71073","MoKα","","0.0635","0.0482","","","0.1061","0.1152","","","","","","1.046","","","","has coordinates","225063","2020-10-21","18:00:00",""
"7157064","11.7613","0.001","7.26","0.0004","15.9064","0.0013","90","","101.506","0.004","90","","1330.91","0.17","296","2","296.58","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 F7 N3 O -","- C9 H12 F7 N3 O -","- C36 H48 F28 N12 O4 -","4","1","","Liu, Shulin; Wang, Rui; Zhu, Bo; Guan, Wei; Liang, Fushun","Photo- and dioxygen-enabled radical C(sp<sup>3</sup>)-N(sp<sup>2</sup>) cross-coupling between guanidines and perfluoroalkyl iodides.","Organic & biomolecular chemistry","2019","17","38","8695","8700","10.1039/c9ob01520e","","","0.71073","MoKα","","0.157","0.1231","","","0.3689","0.4095","","","","","","1.566","","","","has coordinates","225292","2020-10-21","18:00:00",""
"7157065","10.986","0.018","9.949","0.016","10.414","0.017","90","","98.87","0.02","90","","1125","3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 F7 N3 O -","- C7 H8 F7 N3 O -","- C28 H32 F28 N12 O4 -","4","1","","Liu, Shulin; Wang, Rui; Zhu, Bo; Guan, Wei; Liang, Fushun","Photo- and dioxygen-enabled radical C(sp<sup>3</sup>)-N(sp<sup>2</sup>) cross-coupling between guanidines and perfluoroalkyl iodides.","Organic & biomolecular chemistry","2019","17","38","8695","8700","10.1039/c9ob01520e","","","0.71073","MoKα","","0.1485","0.0681","","","0.1687","0.2164","","","","","","1.021","","","","has coordinates,has disorder","225292","2020-10-21","18:00:00",""
"7157066","7.6514","0.0003","11.634","0.0004","13.327","0.0005","76.022","0.002","79.269","0.002","86.003","0.002","1130.68","0.07","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O8 S -","- C23 H23 N O8 S -","- C46 H46 N2 O16 S2 -","2","1","","Liu, Yanfei; Wu, Jiaping; Qian, Baiyang; Shang, Yongjia","Controllable construction of isoquinolinedione and isocoumarin scaffolds via Rh<sup>III</sup>-catalyzed C-H annulation of N-tosylbenzamides with diazo compounds.","Organic & biomolecular chemistry","2019","17","38","8768","8777","10.1039/c9ob01789e","","","0.71073","MoKα","","0.0613","0.0465","","","0.1398","0.1566","","","","","","1.018","","","","has coordinates","225294","2020-10-21","18:00:00",""
"7157067","10.679","0.0007","12.0178","0.0008","11.2241","0.0007","90","","112.326","0.0014","90","","1332.5","0.15","123","0.1","123","0.1","","","","","","","dichloromethane/pentane","6","P 1 21 1","P 2yb","4","","","","- C25 H38 N O4 P S -","- C25 H38 N O4 P S -","- C50 H76 N2 O8 P2 S2 -","2","1","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.0273","0.0271","","","0.0709","0.0711","","","","","","1.034","","","","has coordinates","225295","2020-10-21","18:00:00",""
"7157068","10.584","0.0006","15.7917","0.0008","18.4493","0.001","90","","90","","90","","3083.6","0.3","253","0.1","253","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N O5 P S -","- C30 H44 N O5 P S -","- C120 H176 N4 O20 P4 S4 -","4","1","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.044","0.0437","","","0.1133","0.1137","","","","","","1.137","","","","has coordinates,has disorder","225295","2020-10-21","18:00:00",""
"7157069","16.0321","0.0005","6.1532","0.0002","9.7828","0.0003","90","","90","","90","","965.06","0.05","253","0.1","253","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br N -","- C10 H12 Br N -","- C40 H48 Br4 N4 -","4","1","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.0662","0.0656","","","0.1579","0.1582","","","","","","1.145","","","","has coordinates","225295","2020-10-21","18:00:00",""
"7157070","10.7127","0.0002","10.7127","0.0002","27.9476","0.0006","90","","90","","90","","3207.32","0.11","253","0.1","253","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C31 H42 Cl2 N2 O4 P2 -","- C31 H42 Cl2 N2 O4 P2 -","- C124 H168 Cl8 N8 O16 P8 -","4","0.5","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.028","0.0278","","","0.0741","0.0744","","","","","","1.054","","","","has coordinates,has disorder","225295","2020-10-21","18:00:00",""
"7157071","31.713","0.006","9.7","0.0019","18.993","0.004","90","","121.61","0.03","90","","4976","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","- C232 H224 N16 O32 -","8","1","","Zhu, Jindong; Fang, Shuaishuai; Jin, Shiyi; Ma, Rui; Lu, Tao; Du, Ding","Application of isatin-derived saturated esters in the synthesis of 3,3'-spirooxindole γ-butyrolactams.","Organic & biomolecular chemistry","2019","17","38","8745","8748","10.1039/c9ob01347d","","","0.71073","MoKα","","0.1426","0.0677","","","0.15","0.1898","","","","","","1.004","","","","has coordinates","225290","2020-10-21","18:00:00",""
"7157072","9.394","0.0019","10.781","0.002","13.904","0.003","90","","106.87","0.03","90","","1347.6","0.5","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C31 H29 N3 O5 -","- C31 H29 N3 O5 -","- C62 H58 N6 O10 -","2","1","","Zhu, Jindong; Fang, Shuaishuai; Jin, Shiyi; Ma, Rui; Lu, Tao; Du, Ding","Application of isatin-derived saturated esters in the synthesis of 3,3'-spirooxindole γ-butyrolactams.","Organic & biomolecular chemistry","2019","17","38","8745","8748","10.1039/c9ob01347d","","","0.71073","MoKα","","0.0931","0.0626","","","0.1457","0.1651","","","","","","1.003","","","","has coordinates","225290","2020-10-21","18:00:00",""
"7157073","11.7759","0.0006","8.847","0.0004","23.5375","0.0011","90","","90.994","0.002","90","","2451.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Br3 O4 -","- C27 H21 Br3 O4 -","- C108 H84 Br12 O16 -","4","1","","Neal, Taylor A.; Neal, Jennifer F.; Eippert, Allyson B.; Moore, Curtis; Allen, Heather C.; Badjić, Jovica D","An easily accessible isospiropyran switch.","Organic & biomolecular chemistry","2019","17","41","9124","9128","10.1039/c9ob01822k","","x-ray","0.71073","MoKα","","0.0404","0.0285","","","0.0643","0.069","","","","","","1.025","","","","has coordinates","225070","2020-10-21","18:00:00",""
"7157074","8.6085","0.0008","9.1123","0.0008","10.0471","0.001","74.183","0.003","80.293","0.003","85.184","0.003","746.83","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Br2 Cl O2 -","- C16 H11 Br2 Cl O2 -","- C32 H22 Br4 Cl2 O4 -","2","1","","Neal, Taylor A.; Neal, Jennifer F.; Eippert, Allyson B.; Moore, Curtis; Allen, Heather C.; Badjić, Jovica D","An easily accessible isospiropyran switch.","Organic & biomolecular chemistry","2019","17","41","9124","9128","10.1039/c9ob01822k","","x-ray","0.71073","MoKα","","0.0292","0.0217","","","0.0468","0.0491","","","","","","1.038","","","","has coordinates","225070","2020-10-21","18:00:00",""
"7157075","11.4092","0.0009","14.1314","0.001","15.9669","0.0012","109.501","0.002","99.298","0.003","101.718","0.002","2301.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H34 Br6 O9 S -","- C49 H34 Br6 O9 S -","- C98 H68 Br12 O18 S2 -","2","1","","Neal, Taylor A.; Neal, Jennifer F.; Eippert, Allyson B.; Moore, Curtis; Allen, Heather C.; Badjić, Jovica D","An easily accessible isospiropyran switch.","Organic & biomolecular chemistry","2019","17","41","9124","9128","10.1039/c9ob01822k","","x-ray","0.71073","MoKα","","0.0572","0.0386","","","0.0939","0.1028","","","","","","1.02","","","","has coordinates","225070","2020-10-21","18:00:00",""
"7157076","8.0552","0.0004","10.2825","0.0005","11.7512","0.0006","86.964","0.0012","71.0335","0.0012","70.4039","0.0012","865.45","0.08","298","2","297.99","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Cl3 N2 O3 -","- C16 H13 Cl3 N2 O3 -","- C32 H26 Cl6 N4 O6 -","2","1","","Gupta, Vijay; Sahu, Debashish; Jain, Shailja; Vanka, Kumar; Singh, Ravi P.","Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles.","Organic & biomolecular chemistry","2019","17","39","8853","8857","10.1039/c9ob01345h","","","0.71073","MoKα","","0.0627","0.0455","","","0.1173","0.1292","","","","","","1.044","","","","has coordinates","225114","2020-10-21","18:00:00",""
"7157077","15.3319","0.0009","6.1459","0.0004","13.6122","0.0008","90","","106.075","0.002","90","","1232.5","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","1","","Gupta, Vijay; Sahu, Debashish; Jain, Shailja; Vanka, Kumar; Singh, Ravi P.","Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles.","Organic & biomolecular chemistry","2019","17","39","8853","8857","10.1039/c9ob01345h","","","0.71073","MoKα","","0.0754","0.0565","","","0.147","0.1677","","","","","","0.956","","","","has coordinates","225114","2020-10-21","18:00:00",""
"7157078","7.6987","0.0004","11.0695","0.0005","16.7175","0.0008","90","","98.836","0.001","90","","1407.77","0.12","304","2","304","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Gupta, Vijay; Sahu, Debashish; Jain, Shailja; Vanka, Kumar; Singh, Ravi P.","Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles.","Organic & biomolecular chemistry","2019","17","39","8853","8857","10.1039/c9ob01345h","","","0.71073","MoKα","","0.1377","0.0794","","","0.2007","0.224","","","","","","1.452","","","","has coordinates","225114","2020-10-21","18:00:00",""
"7157079","8.8995","0.0004","12.8103","0.0006","13.9893","0.0006","90","","90","","90","","1594.85","0.12","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br O4 -","- C18 H13 Br O4 -","- C72 H52 Br4 O16 -","4","1","","Shi, Taoda; Teng, Shenghan; Gopi Krishna Reddy, Alavala; Guo, Xin; Zhang, Yueteng; Moore, Kohlson T.; Buckley, Thomas; Mason, Damian J.; Wang, Wei; Chapman, Eli; Hu, Wenhao","Catalytic asymmetric synthesis of 2,5-dihydrofurans using synergistic bifunctional Ag catalysis.","Organic & biomolecular chemistry","2019","17","38","8737","8744","10.1039/c9ob01903k","","","0.71073","MoKα","","0.0367","0.0297","","","0.0649","0.0679","","","","","","1.058","","","","has coordinates","225293","2020-10-21","18:00:00",""
"7157080","12.8963","0.0005","13.1501","0.0003","17.101","0.0005","92.305","0.002","111.817","0.003","103.594","0.003","2590.69","0.16","289","3","289","3","","","","","","","","4","P -1","-P 1","2","","","","- C50 H52 N4 O4 -","- C50 H52 N4 O4 -","- C100 H104 N8 O8 -","2","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","1.54184","CuKα","","0.0637","0.0537","","","0.1524","0.1603","","","","","","1.068","","","","has coordinates","225291","2020-10-21","18:00:00",""
"7157081","8.7924","0.0003","10.9272","0.0003","18.098","0.0007","90","","90","","90","","1738.79","0.1","296.93","0.13","296.93","0.13","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 F N2 O2 -","- C21 H17 F N2 O2 -","- C84 H68 F4 N8 O8 -","4","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","1.54184","CuKα","","0.0412","0.0334","","","0.0774","0.0822","","","","","","1.019","","","","has coordinates","225291","2020-10-21","18:00:00",""
"7157082","11.2543","0.0004","11.6498","0.0003","23.6897","0.0007","90","","90","","90","","3105.96","0.16","295.01","0.13","295.01","0.13","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","0.71073","MoKα","","0.0828","0.0522","","","0.1143","0.1336","","","","","","1.059","","","","has coordinates","225291","2020-10-21","18:00:00",""
"7157083","8.7087","0.0006","24.853","0.0016","10.406","0.0008","90","","110.876","0.008","90","","2104.4","0.3","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Br N2 O3 S -","- C23 H23 Br N2 O3 S -","- C92 H92 Br4 N8 O12 S4 -","4","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","0.71073","MoKα","","0.0532","0.0402","","","0.0884","0.0936","","","","","","1.056","","","","has coordinates","225291","2020-10-21","18:00:00",""
"7157084","11.5219","0.0011","11.4926","0.0009","15.5242","0.0014","90","","92.72","0.003","90","","2053.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C92 H104 N8 O8 -","4","1","","Amiri, Kamran; Khosravi, Hormoz; Balalaie, Saeed; Golmohammadi, Farhad; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Regio- and chemo-selective cyclization of allenic-Ugi products for the synthesis of 3-pyrroline skeletons.","Organic & biomolecular chemistry","2019","17","39","8858","8870","10.1039/c9ob01963d","","","0.71073","MoKα","","0.0875","0.0588","","","0.1456","0.1773","","","","","","1.067","","","","has coordinates","225110","2020-10-21","18:00:00",""
"7157085","16.0878","0.0015","7.3312","0.0008","19.996","0.002","90","","101.831","0.005","90","","2308.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Cl2 N2 O2 -","- C25 H26 Cl2 N2 O2 -","- C100 H104 Cl8 N8 O8 -","4","1","","Amiri, Kamran; Khosravi, Hormoz; Balalaie, Saeed; Golmohammadi, Farhad; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Regio- and chemo-selective cyclization of allenic-Ugi products for the synthesis of 3-pyrroline skeletons.","Organic & biomolecular chemistry","2019","17","39","8858","8870","10.1039/c9ob01963d","","","0.71073","MoKα","","0.0687","0.0457","","","0.1082","0.1252","","","","","","1.045","","","","has coordinates","225110","2020-10-21","18:00:00",""
"7157086","15.6522","0.001","13.6042","0.0007","12.4636","0.0008","90","","107.449","0.007","90","","2531.8","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O4 S -","- C31 H27 N O4 S -","- C124 H108 N4 O16 S4 -","4","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.083","0.056","","","0.1417","0.1878","","","","","","1.09","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157087","10.605","0.0004","16.0358","0.0005","16.1366","0.0005","69.467","0.003","72.006","0.003","89.666","0.003","2427.91","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 N2 O10 S2 -","- C56 H58 N2 O10 S2 -","- C112 H116 N4 O20 S4 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0811","0.0571","","","0.1296","0.1489","","","","","","1.044","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157088","9.2545","0.0007","9.0908","0.0005","32.563","0.003","90","","96.115","0.007","90","","2724","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 N O4 S -","- C33 H31 N O4 S -","- C132 H124 N4 O16 S4 -","4","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.1096","0.0709","","","0.1451","0.1715","","","","","","1.068","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157089","9.2331","0.0007","9.4073","0.0007","15.2033","0.0012","90","","91.611","0.007","90","","1320.01","0.17","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 N O4 S -","- C32 H29 N O4 S -","- C64 H58 N2 O8 S2 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0764","0.056","","","0.1297","0.1724","","","","","","1.097","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157090","9.1034","0.0002","9.5264","0.0003","15.9591","0.0004","90","","91.547","0.002","90","","1383.51","0.06","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N O5 S -","- C33 H31 N O5 S -","- C66 H62 N2 O10 S2 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0352","0.0324","","","0.0897","0.0933","","","","","","0.927","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157091","8.3119","0.0004","24.2166","0.0014","11.0613","0.0005","90","","93.864","0.005","90","","2221.4","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 N2 O8 S2 -","- C52 H50 N2 O8 S2 -","- C104 H100 N4 O16 S4 -","2","0.5","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0697","0.0503","","","0.1139","0.1321","","","","","","1.042","","","","has coordinates","225111","2020-10-21","18:00:00",""
"7157092","6.0337","0.0002","12.7989","0.0004","15.3967","0.0005","83.2254","0.0014","79.7254","0.0012","82.5173","0.0012","1154.49","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O5 -","- C27 H23 N O5 -","- C54 H46 N2 O10 -","2","1","","Kurian, Jais; M, Muraleedharan Kannoth","Synthesis of new cyclazines and 4,5-diaryl-1H-pyrrol-3(2H)-one units in discoipyrroles from indolizinone-DMAD cycloadducts.","Organic & biomolecular chemistry","2019","17","39","8832","8848","10.1039/c9ob01655d","","","0.71073","MoKα","","0.0592","0.0478","","","0.1204","0.1318","","","","","","1.026","","","","has coordinates","225113","2020-10-21","18:00:00",""
"7157093","11.6409","0.0014","11.8981","0.0011","12.5461","0.0014","67.133","0.005","76.352","0.005","89.759","0.005","1548.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N2 O4 -","- C36 H34 N2 O4 -","- C72 H68 N4 O8 -","2","1","","Kurian, Jais; M, Muraleedharan Kannoth","Synthesis of new cyclazines and 4,5-diaryl-1H-pyrrol-3(2H)-one units in discoipyrroles from indolizinone-DMAD cycloadducts.","Organic & biomolecular chemistry","2019","17","39","8832","8848","10.1039/c9ob01655d","","","0.71073","MoKα","","0.1481","0.0563","","","0.1161","0.158","","","","","","0.949","","","","has coordinates","225113","2020-10-21","18:00:00",""
"7157094","9.932","0.0003","12.9438","0.0004","18.2127","0.0004","90","","92.2716","0.0014","90","","2339.55","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C96 H116 N4 O24 -","4","1","","Kurian, Jais; M, Muraleedharan Kannoth","Synthesis of new cyclazines and 4,5-diaryl-1H-pyrrol-3(2H)-one units in discoipyrroles from indolizinone-DMAD cycloadducts.","Organic & biomolecular chemistry","2019","17","39","8832","8848","10.1039/c9ob01655d","","","0.71073","MoKα","","0.0758","0.049","","","0.1221","0.1384","","","","","","1.045","","","","has coordinates","225113","2020-10-21","18:00:00",""
"7157095","10.0137","0.0014","11.9245","0.0016","12.3604","0.0017","80.619","0.004","82.259","0.004","67.699","0.004","1343","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Cl N O4 -","- C35 H22 Cl N O4 -","- C70 H44 Cl2 N2 O8 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.0923","0.0499","","","0.1044","0.1204","","","","","","1.036","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157096","16.1126","0.0018","14.9541","0.0014","8.7949","0.0009","90","","104.805","0.004","90","","2048.8","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H15 Br O3 -","- C28 H15 Br O3 -","- C112 H60 Br4 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1238","0.0498","","","0.0852","0.105","","","","","","1.009","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157097","7.6023","0.0003","14.1593","0.0006","14.3949","0.0007","112.791","0.0013","94.3666","0.0014","96.6561","0.0014","1406.45","0.11","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H19 Cl O3 -","- C34 H19 Cl O3 -","- C68 H38 Cl2 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.0649","0.0468","","","0.1149","0.1237","","","","","","1.043","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157098","11.5199","0.0016","11.9192","0.0018","12.6746","0.0019","109.822","0.004","108.543","0.004","99.91","0.004","1473.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H27 Br N2 O3 -","- C37 H27 Br N2 O3 -","- C74 H54 Br2 N4 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.244","0.0815","","","0.1039","0.1395","","","","","","1.002","","","","has coordinates,has disorder","225193","2020-10-21","18:00:00",""
"7157099","12.672","0.002","14.322","0.003","15.13","0.003","80.53","0.005","89.793","0.005","68.279","0.005","2511.3","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H19 Br O3 -","- C34 H19 Br O3 -","- C136 H76 Br4 O12 -","4","2","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1518","0.0661","","","0.1311","0.1597","","","","","","1.015","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157100","11.465","0.002","11.89","0.003","12.656","0.003","110.391","0.007","108.863","0.006","98.617","0.007","1461.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H30 N2 O3 -","- C38 H30 N2 O3 -","- C76 H60 N4 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1425","0.0661","","","0.1454","0.1753","","","","","","1.01","","","","has coordinates,has disorder","225193","2020-10-21","18:00:00",""
"7157101","12.5801","0.0011","29.118","0.002","7.2563","0.0007","90","","98.229","0.003","90","","2630.7","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Br N O2 -","- C32 H18 Br N O2 -","- C128 H72 Br4 N4 O8 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1867","0.0784","","","0.1713","0.2118","","","","","","1.021","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157102","9.9903","0.0007","12.0129","0.0008","12.3878","0.0008","80.372","0.002","82.962","0.002","68.265","0.002","1358.56","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Br N O4 -","- C35 H22 Br N O4 -","- C70 H44 Br2 N2 O8 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.0809","0.0409","","","0.085","0.0981","","","","","","1.004","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157103","11.4707","0.0009","17.0265","0.0014","17.1384","0.0016","68.014","0.003","87.526","0.003","70.835","0.002","2919.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H52 Cl2 N2 O8 -","- C73 H52 Cl2 N2 O8 -","- C146 H104 Cl4 N4 O16 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.244","0.1287","","","0.3281","0.3991","","","","","","1.021","","","","has coordinates,has disorder","225193","2020-10-21","18:00:00",""
"7157104","6.8857","0.0002","16.5875","0.0005","24.9506","0.0007","90","","93.9567","0.0009","90","","2842.98","0.14","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H18 Cl4 O3 -","- C34 H18 Cl4 O3 -","- C136 H72 Cl16 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1192","0.0871","","","0.2267","0.2479","","","","","","1.082","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157105","14.3618","0.0006","16.8874","0.0008","19.6152","0.0009","77.2599","0.0014","71.5053","0.0014","73.2936","0.0015","4277.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H19 Br O3 -","- C34 H19 Br O3 -","- C204 H114 Br6 O18 -","6","3","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1346","0.0705","","","0.1642","0.193","","","","","","1.028","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157106","7.4625","0.0005","14.4575","0.001","14.4842","0.0009","111.262","0.0018","99.696","0.002","94.536","0.002","1418.71","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H22 O3 -","- C35 H22 O3 -","- C70 H44 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1126","0.0651","","","0.1636","0.1869","","","","","","1.025","","","","has coordinates","225193","2020-10-21","18:00:00",""
"7157107","44.64","0.002","6.5823","0.0003","11.7225","0.0007","90","","90","","90","","3444.5","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H46 B2 O4 Se2 Si2 -","- C26 H46 B2 O4 Se2 Si2 -","- C104 H184 B8 O16 Se8 Si8 -","4","1","","Hasegawa, Masashi; Kobayakawa, Kosuke; Nojima, Yuki; Mazaki, Yasuhiro","Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2'-biselenophene and [2.2]paracyclophane.","Organic & biomolecular chemistry","2019","17","39","8822","8826","10.1039/c9ob01907c","","x-ray","0.71073","MoKα","","0.0727","0.0524","","","0.1193","0.1271","","","","","","1.032","","","","has coordinates","225115","2020-10-21","18:00:00",""
"7157108","9.6143","0.0009","16.0071","0.0015","13.8424","0.0013","90","","94.363","0.001","90","","2124.1","0.3","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(Rp,Rp)-1","","- C49 H37 Cl3 Se4 -","- C49 H37 Cl3 Se4 -","- C98 H74 Cl6 Se8 -","2","1","","Hasegawa, Masashi; Kobayakawa, Kosuke; Nojima, Yuki; Mazaki, Yasuhiro","Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2'-biselenophene and [2.2]paracyclophane.","Organic & biomolecular chemistry","2019","17","39","8822","8826","10.1039/c9ob01907c","","","0.71073","MoKα","","0.0393","0.0335","","","0.081","0.0835","","","","","","1.043","","","","has coordinates","225115","2020-10-21","18:00:00",""
"7157109","9.4081","0.0004","14.8474","0.0006","20.854","0.0008","90","","90","","90","","2913","0.2","273","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Sp)-4","","- C30 H36 Se2 Si2 -","- C30 H36 Se2 Si2 -","- C120 H144 Se8 Si8 -","4","1","","Hasegawa, Masashi; Kobayakawa, Kosuke; Nojima, Yuki; Mazaki, Yasuhiro","Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2'-biselenophene and [2.2]paracyclophane.","Organic & biomolecular chemistry","2019","17","39","8822","8826","10.1039/c9ob01907c","","","0.71073","MoKα","","0.0257","0.0215","","","0.046","0.047","","","","","","0.941","","","","has coordinates","225115","2020-10-21","18:00:00",""
"7157110","15.3447","0.0004","10.116","0.0002","10.7205","0.0003","90","","109.892","0.001","90","","1564.82","0.07","170","2","169.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Su, Yiting; Huang, Gaofeng; Ye, Fu; Qiao, Panpan; Ye, Jinxiang; Gao, Yu; Chen, Haijun","Facile access to evodiakine enabled by aerobic copper-catalyzed oxidative rearrangement.","Organic & biomolecular chemistry","2019","17","39","8811","8815","10.1039/c9ob01832h","","","1.34139","GaKα","","0.0595","0.0447","","","0.1046","0.1137","","","","","","1.03","","","","has coordinates","225112","2020-10-21","18:00:00",""
"7157111","16.6547","0.0007","13.5081","0.0006","16.2182","0.0007","90","","117.968","0.001","90","","3222.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C152 H136 N24 O24 -","8","2","","Su, Yiting; Huang, Gaofeng; Ye, Fu; Qiao, Panpan; Ye, Jinxiang; Gao, Yu; Chen, Haijun","Facile access to evodiakine enabled by aerobic copper-catalyzed oxidative rearrangement.","Organic & biomolecular chemistry","2019","17","39","8811","8815","10.1039/c9ob01832h","","","0.71073","MoKα","","0.1184","0.0545","","","0.1119","0.1468","","","","","","1.026","","","","has coordinates","225112","2020-10-21","18:00:00",""
"7157112","11.896","0.0007","10.6048","0.0005","13.5243","0.0008","90","","109.984","0.006","90","","1603.42","0.17","125.3","","125.3","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H36 F2 N4 O4 S -","- C35 H36 F2 N4 O4 S -","- C70 H72 F4 N8 O8 S2 -","2","1","","Zhou, Yuxuan; Ma, Fanghui; Lu, Ping; Wang, Yanguang","Preparation of spiro[imidazolidine-4,3'-indolin]-2'-imines via copper(i)-catalyzed formal [2 + 2 + 1] cycloaddition of 3-diazoindolin-2-imines and triazines.","Organic & biomolecular chemistry","2019","17","39","8849","8852","10.1039/c9ob01767d","","","0.71073","MoKα","","0.0591","0.0518","","","0.1269","0.1349","","","","","","1.038","","","","has coordinates","225109","2020-10-21","18:00:00",""
"7157113","5.6468","0.0005","12.0159","0.001","14.1013","0.0013","81.991","0.005","89.552","0.005","82.145","0.005","938.51","0.14","150","","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Br N O -","- C10 H8 Br N O -","- C40 H32 Br4 N4 O4 -","4","2","","Xu, Kang; Yang, Ruiqi; Yang, Shuang; Jiang, Cheng; Ding, Zhenhua","Hypervalent iodane mediated reactions of N-acetyl enamines for the synthesis of oxazoles and imidazoles.","Organic & biomolecular chemistry","2019","17","40","8977","8981","10.1039/c9ob01895f","","","0.71073","MoKα","","0.082","0.0631","","","0.1577","0.1658","","","","","","1.182","","","","has coordinates","225191","2020-10-21","18:00:00",""
"7157114","9.93","0.003","9.524","0.003","24.977","0.008","90","","90","","90","","2362.2","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C96 H88 Br8 N16 O16 -","8","1","","Xu, Kang; Yang, Ruiqi; Yang, Shuang; Jiang, Cheng; Ding, Zhenhua","Hypervalent iodane mediated reactions of N-acetyl enamines for the synthesis of oxazoles and imidazoles.","Organic & biomolecular chemistry","2019","17","40","8977","8981","10.1039/c9ob01895f","","","0.71073","MoKα","","0.0829","0.0451","","","0.0978","0.1142","","","","","","1.058","","","","has coordinates","225191","2020-10-21","18:00:00",""
"7157115","11.026","0.002","15.703","0.003","12.684","0.003","90","","98.83","0.03","90","","2170.1","0.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C80 H96 N8 O24 S8 -","4","1","","Xu, Zhong-Qi; Wang, Wen-Bo; Zheng, Lin-Chuang; Li, Lin; Duan, Lili; Li, Yue-Ming","Iodine-mediated aminosulfonylation of alkenyl sulfonamides with sulfonyl hydrazides: synthesis of sulfonylmethyl piperidines, pyrrolidines and pyrazolines.","Organic & biomolecular chemistry","2019","17","40","9026","9038","10.1039/c9ob01847f","","","0.71073","MoKα","","0.0775","0.0644","","","0.1619","0.172","","","","","","1.084","","","","has coordinates","225194","2020-10-21","18:00:00",""
"7157116","10.622","0.002","10.722","0.002","11.698","0.002","78.63","0.03","78.84","0.03","67.46","0.03","1196.1","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 Cl N2 O4 S2 -","- C24 H23 Cl N2 O4 S2 -","- C48 H46 Cl2 N4 O8 S4 -","2","1","","Xu, Zhong-Qi; Wang, Wen-Bo; Zheng, Lin-Chuang; Li, Lin; Duan, Lili; Li, Yue-Ming","Iodine-mediated aminosulfonylation of alkenyl sulfonamides with sulfonyl hydrazides: synthesis of sulfonylmethyl piperidines, pyrrolidines and pyrazolines.","Organic & biomolecular chemistry","2019","17","40","9026","9038","10.1039/c9ob01847f","","","0.71073","MoKα","","0.057","0.0424","","","0.1104","0.119","","","","","","1.04","","","","has coordinates","225194","2020-10-21","18:00:00",""
"7157117","10.0311","0.0019","13.762","0.003","14.965","0.003","92.146","0.005","95.34","0.005","97.624","0.005","2036.1","0.7","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H64 N4 O7 -","- C38 H64 N4 O7 -","- C76 H128 N8 O14 -","2","2","","Veeresh, Kuruva; Singh, Manjeet; Gopi, Hosahudya N.","Impact of substituent effects on the design of β-sheet mimetics and β-double helices from (E)-vinylogous γ-amino acid oligomers.","Organic & biomolecular chemistry","2019","17","41","9226","9231","10.1039/c9ob01801h","","","0.71073","MoKα","","0.3634","0.136","","","0.2802","0.381","","","","","","0.977","","","","has coordinates","225073","2020-10-21","18:00:00",""
"7157118","15.784","0.004","15.892","0.004","21.646","0.005","72.44","0.006","76.389","0.006","61.814","0.006","4534.9","1.9","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H66 N4 O7 -","- C43 H66 N4 O7 -","- C172 H264 N16 O28 -","4","2","","Veeresh, Kuruva; Singh, Manjeet; Gopi, Hosahudya N.","Impact of substituent effects on the design of β-sheet mimetics and β-double helices from (E)-vinylogous γ-amino acid oligomers.","Organic & biomolecular chemistry","2019","17","41","9226","9231","10.1039/c9ob01801h","","","0.71073","MoKα","","0.2689","0.0904","","","0.2058","0.2864","","","","","","0.942","","","","has coordinates","225073","2020-10-21","18:00:00",""
"7157119","6.2833","0.00003","33.99155","0.00012","8.90762","0.00005","90","","107.114","0.0005","90","","1818.25","0.016","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H54 N2 O7 -","- C43 H54 N2 O7 -","- C86 H108 N4 O14 -","2","1","","Kiełczewska, Urszula; Morzycki, Jacek W.; Rárová, Lucie; Wojtkielewicz, Agnieszka","The synthesis of solasodine F-homo-analogues.","Organic & biomolecular chemistry","2019","17","40","9050","9058","10.1039/c9ob01888c","","x-ray","1.54184","CuKα","","0.0268","0.0262","","","0.0674","0.0679","","","","","","1.02","","","","has coordinates","225192","2020-10-21","18:00:00",""
"7157120","6.41147","0.00005","9.65864","0.00005","26.39665","0.00013","90","","91.6151","0.0006","90","","1633.99","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H49 N O6 S -","- C36 H49 N O6 S -","- C72 H98 N2 O12 S2 -","2","1","","Kiełczewska, Urszula; Morzycki, Jacek W.; Rárová, Lucie; Wojtkielewicz, Agnieszka","The synthesis of solasodine F-homo-analogues.","Organic & biomolecular chemistry","2019","17","40","9050","9058","10.1039/c9ob01888c","","x-ray","1.54184","CuKα","","0.034","0.0334","","","0.0902","0.0908","","","","","","1.042","","","","has coordinates","225192","2020-10-21","18:00:00",""
"7157121","8.5498","0.0006","9.8965","0.0008","10.498","0.0008","86.67","0.002","77.284","0.002","65.193","0.002","785.94","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C36 H30 N2 O6 S2 -","2","1","","Ansari, Monish Arbaz; Yadav, Dhananjay; Soni, Sonam; Singh, Maya Shankar","Phosphonium ylide catalysis: a divergent diastereoselective approach to synthesize cyclic ketene acetals [thia(zolidines/zinanes)] from β-ketothioamides and dihaloalkanes.","Organic & biomolecular chemistry","2019","17","41","9151","9162","10.1039/c9ob01948k","","","0.71073","MoKα","","0.0549","0.0418","","","0.1048","0.1136","","","","","","1.052","","","","has coordinates","225071","2020-10-21","18:00:00",""
"7157122","11.2395","0.0013","9.4816","0.0009","32.652","0.003","90","","90","","90","","3479.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H15 F3 N O S -","- C19 H16 F3 N O S -","- C152 H128 F24 N8 O8 S8 -","8","1","","Ansari, Monish Arbaz; Yadav, Dhananjay; Soni, Sonam; Singh, Maya Shankar","Phosphonium ylide catalysis: a divergent diastereoselective approach to synthesize cyclic ketene acetals [thia(zolidines/zinanes)] from β-ketothioamides and dihaloalkanes.","Organic & biomolecular chemistry","2019","17","41","9151","9162","10.1039/c9ob01948k","","","0.71073","MoKα","","0.0627","0.056","","","0.1417","0.1486","","","","","","0.991","","","","has coordinates","225071","2020-10-21","18:00:00",""
"7157123","7.5705","0.0005","11.9923","0.0007","27.772","0.002","90","","90","","90","","2521.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Cl N4 O -","- C28 H21 Cl N4 O -","- C112 H84 Cl4 N16 O4 -","4","1","","Ji, Yan-Ling; Li, He-Ping; Ai, Yue-Yan; Li, Guo; He, Xiang-Hong; Huang, Wei; Huang, Rui-Zhen; Han, Bo","Enantio- and diastereoselective synthesis of spiropyrazolones via an organocatalytic [1 + 2 + 3] multicomponent reaction.","Organic & biomolecular chemistry","2019","17","41","9217","9225","10.1039/c9ob01927h","","","1.54184","CuKα","","0.0605","0.0481","","","0.112","0.1235","","","","","","1.039","","","","has coordinates","225072","2020-10-21","18:00:00",""
"7157124","7.6734","0.0005","11.9044","0.0008","27.0141","0.0017","90","","90","","90","","2467.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Cl N4 O -","- C28 H21 Cl N4 O -","- C112 H84 Cl4 N16 O4 -","4","1","","Ji, Yan-Ling; Li, He-Ping; Ai, Yue-Yan; Li, Guo; He, Xiang-Hong; Huang, Wei; Huang, Rui-Zhen; Han, Bo","Enantio- and diastereoselective synthesis of spiropyrazolones via an organocatalytic [1 + 2 + 3] multicomponent reaction.","Organic & biomolecular chemistry","2019","17","41","9217","9225","10.1039/c9ob01927h","","","1.54184","CuKα","","0.1326","0.0785","","","0.1863","0.2507","","","","","","1.058","","","","has coordinates","225072","2020-10-21","18:00:00",""
"7157125","15.8495","0.0017","10.2381","0.0011","13.1866","0.0015","90","","104.544","0.012","90","","2071.2","0.4","295.54","0.1","295.54","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H9 F2 N3 O -","- C10 H9 F2 N3 O -","- C80 H72 F16 N24 O8 -","8","1","","You, Yi; Chen, Yueji; You, Chenhui; Wang, Junwen; Weng, Zhiqiang","Synthesis of 3-(tri/difluoromethyl)-1H-1,2,4-triazol-5(4H)-ones via the cyclization of hydrazinecarboxamides with tri/difluoroacetic anhydride.","Organic & biomolecular chemistry","2019","17","42","9343","9347","10.1039/c9ob01865d","","x-ray","0.71073","MoKα","","0.0547","0.0381","","","0.0988","0.1081","","","","","","1.044","","","","has coordinates","225106","2020-10-21","18:00:00",""
"7157126","8.042","0.004","10.654","0.005","20.098","0.009","84.402","0.006","81.612","0.007","85.682","0.007","1692.2","1.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 F9 N9 O3 -","- C30 H24 F9 N9 O3 -","- C60 H48 F18 N18 O6 -","2","1","","You, Yi; Chen, Yueji; You, Chenhui; Wang, Junwen; Weng, Zhiqiang","Synthesis of 3-(tri/difluoromethyl)-1H-1,2,4-triazol-5(4H)-ones via the cyclization of hydrazinecarboxamides with tri/difluoroacetic anhydride.","Organic & biomolecular chemistry","2019","17","42","9343","9347","10.1039/c9ob01865d","","","0.71073","MoKα","","0.1827","0.0816","","","0.1851","0.2402","","","","","","0.964","","","","has coordinates","225106","2020-10-21","18:00:00",""
"7157127","13.17","0.003","7.7111","0.0016","15.613","0.004","90","","105.44","0.01","90","","1528.4","0.6","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 B F Fe O2 -","- C16 H20 B F Fe O2 -","- C64 H80 B4 F4 Fe4 O8 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0638","0.051","","","0.1353","0.145","","","","","","0.997","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157128","19.502","0.003","11.7498","0.0014","13.23","0.0018","90","","107.235","0.005","90","","2895.5","0.7","295","","295","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br F Fe Si -","- C13 H16 Br F Fe Si -","- C104 H128 Br8 F8 Fe8 Si8 -","8","2","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0661","0.0352","","","0.0767","0.0916","","","","","","1.019","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157129","12.4583","0.0014","14.7599","0.0014","20.49","0.002","90","","90","","90","","3767.8","0.7","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C22 H21 B F Fe P -","- C22 H21 B F Fe P -","- C176 H168 B8 F8 Fe8 P8 -","8","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0545","0.0409","","","0.1055","0.1138","","","","","","1.053","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157130","7.2","0.0007","10.0755","0.0011","11.5617","0.0011","64.721","0.003","78.205","0.003","84.196","0.004","742.31","0.13","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C16 H12 F Fe I S -","- C16 H12 F Fe I S -","- C32 H24 F2 Fe2 I2 S2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.022","0.0205","","","0.0488","0.0496","","","","","","1.139","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157131","6.5459","0.001","10.4479","0.0017","15.037","0.002","90","","91.505","0.006","90","","1028","0.3","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br Cl F Fe -","- C10 H7 Br Cl F Fe -","- C40 H28 Br4 Cl4 F4 Fe4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0382","0.0313","","","0.0787","0.0829","","","","","","1.057","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157132","12.21","0.0009","28.6668","0.0018","6.6319","0.0005","90","","100.875","0.003","90","","2279.6","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 F Fe I2 -","- C10 H7 F Fe I2 -","- C80 H56 F8 Fe8 I16 -","8","2","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0366","0.0334","","","0.0683","0.0692","","","","","","1.275","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157133","8.8626","0.0014","11.0153","0.0019","20.456","0.003","90","","98.537","0.005","90","","1974.9","0.5","150","","150","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 F Fe I S Si -","- C19 H20 F Fe I S Si -","- C76 H80 F4 Fe4 I4 S4 Si4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0386","0.0345","","","0.0765","0.0782","","","","","","1.184","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157134","6.7304","0.001","13.738","0.003","17.564","0.003","90","","100.433","0.005","90","","1597.2","0.5","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 F Fe I O2 Si -","- C14 H16 F Fe I O2 Si -","- C56 H64 F4 Fe4 I4 O8 Si4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0355","0.0322","","","0.0799","0.0817","","","","","","1.53","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157135","8.1302","0.0013","10.5516","0.0014","14.7688","0.0019","107.406","0.004","93.634","0.005","98.033","0.005","1189.6","0.3","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C26 H26 F Fe I O Si -","- C26 H26 F Fe I O Si -","- C52 H52 F2 Fe2 I2 O2 Si2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0276","0.0231","","","0.0556","0.0582","","","","","","1.068","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157136","6.6845","0.0013","15.913","0.004","10.315","0.002","90","","99.375","0.008","90","","1082.6","0.4","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cl F Fe I -","- C10 H7 Cl F Fe I -","- C40 H28 Cl4 F4 Fe4 I4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.033","0.0294","","","0.0735","0.0754","","","","","","1.122","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157137","17.276","0.004","6.8553","0.0017","12.095","0.003","90","","100.988","0.008","90","","1406.2","0.6","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br F Fe Si -","- C13 H16 Br F Fe Si -","- C52 H64 Br4 F4 Fe4 Si4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0764","0.0665","","","0.1523","0.1566","","","","","","1.226","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157138","8.514","0.002","10.875","0.003","11.472","0.003","86.069","0.008","84.834","0.009","82.271","0.008","1046.5","0.5","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C21 H24 F Fe I O2 Si -","- C21 H24 F Fe I O2 Si -","- C42 H48 F2 Fe2 I2 O4 Si2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0281","0.0253","","","0.0582","0.0602","","","","","","1.07","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157139","8.1007","0.001","10.7372","0.0015","14.989","0.002","108.19","0.005","93.055","0.004","97.786","0.004","1220.8","0.3","150","","150","","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C25 H25 F Fe I O P Si -","- C25 H25 F Fe I O P Si -","- C50 H50 F2 Fe2 I2 O2 P2 Si2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0379","0.0293","","","0.0669","0.072","","","","","","0.988","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157140","6.7234","0.0005","12.3647","0.0009","18.5635","0.0014","90","","91.338","0.003","90","","1542.8","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 F Fe I O Si -","- C14 H16 F Fe I O Si -","- C56 H64 F4 Fe4 I4 O4 Si4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0493","0.0382","","","0.0729","0.0759","","","","","","1.121","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157141","7.148","0.0008","9.9469","0.0013","15.3417","0.0019","108.069","0.004","97.069","0.004","91.763","0.004","1026.4","0.2","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C20 H20 F Fe I O S Si -","- C20 H20 F Fe I O S Si -","- C40 H40 F2 Fe2 I2 O2 S2 Si2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0292","0.0238","","","0.0653","0.0679","","","","","","1.16","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157142","19.0038","0.0006","7.304","0.0002","25.2096","0.0007","90","","108.964","0.003","90","","3309.26","0.18","99.97","0.1","99.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 F N3 O3 -","- C19 H18 F N3 O3 -","- C152 H144 F8 N24 O24 -","8","2","","Rao, Madhuri P.; Gunaga, Shubha S.; Zuegg, Johannes; Pamarthi, Rambabu; Ganesh, Madhu","Highly regio- and diastereoselective [3 + 2]-cycloadditions involving indolediones and α,β-disubstituted nitroethylenes.","Organic & biomolecular chemistry","2019","17","42","9390","9402","10.1039/c9ob01429b","","","0.71073","MoKα","","0.0639","0.0464","","","0.0959","0.1068","","","","","","1.036","","","","has coordinates","225105","2020-10-21","18:00:00",""
"7157143","15.516","0.005","9.876","0.004","23.035","0.007","90","","104.61","0.02","90","","3416","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Br2 N6 O6 -","- C36 H32 Br2 N6 O6 -","- C144 H128 Br8 N24 O24 -","4","1","","Rao, Madhuri P.; Gunaga, Shubha S.; Zuegg, Johannes; Pamarthi, Rambabu; Ganesh, Madhu","Highly regio- and diastereoselective [3 + 2]-cycloadditions involving indolediones and α,β-disubstituted nitroethylenes.","Organic & biomolecular chemistry","2019","17","42","9390","9402","10.1039/c9ob01429b","","","0.71073","MoKα","","0.0991","0.0498","","","0.1058","0.1222","","","","","","1.011","","","","has coordinates","225105","2020-10-21","18:00:00",""
"7157144","24.8162","0.0005","11.0757","0.0002","34.2851","0.0007","90","","100.28","0.002","90","","9272.2","0.3","100.03","0.11","100.03","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H45 Br2 N6 O6 -","- C46 H45 Br2 N6 O6 -","- C368 H360 Br16 N48 O48 -","8","1","","Rao, Madhuri P.; Gunaga, Shubha S.; Zuegg, Johannes; Pamarthi, Rambabu; Ganesh, Madhu","Highly regio- and diastereoselective [3 + 2]-cycloadditions involving indolediones and α,β-disubstituted nitroethylenes.","Organic & biomolecular chemistry","2019","17","42","9390","9402","10.1039/c9ob01429b","","","0.71073","MoKα","","0.0604","0.0512","","","0.1577","0.1653","","","","","","1.077","","","","has coordinates,has disorder","225105","2020-10-21","18:00:00",""
"7157145","8.5917","0.0013","13.421","0.002","21.279","0.003","90","","90","","90","","2453.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N2 O5 S -","- C27 H24 N2 O5 S -","- C108 H96 N8 O20 S4 -","4","1","","Lu, Min; Li, Hong; Zou, Chuncheng; Li, Jianchang; Liu, Chengyu; Sun, Maolin; Ma, Yueyue; Cheng, Ruihua; Ye, Jinxing","Primary amine catalyzed diastereo- and enantioselective Michael reaction of thiazolones and α,β-unsaturated ketones.","Organic & biomolecular chemistry","2019","17","42","9305","9312","10.1039/c9ob02067e","","","0.71073","MoKα","","0.0522","0.0433","","","0.1057","0.1114","","","","","","1.043","","","","has coordinates","225108","2020-10-21","18:00:00",""
"7157146","9.869","0.005","11.897","0.005","13.181","0.005","113.322","0.017","109.14","0.02","90.79","0.02","1324.1","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N O3.5 S3 -","- C26 H32 N O3.5 S3 -","- C52 H64 N2 O7 S6 -","2","1","","Heron, Bernard Mark; Aiken, Stuart; Gabbutt, Christopher; Rice, Craig; Zonidis, Dimitrios","Synthesis and Photochromism of Some Mono and Bis(Thienyl) Substituted Oxathiine 2,2-dioxides","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02128K","","","0.71073","MoKα","","0.0778","0.0519","","","0.1309","0.1481","","","","","","1.027","","","","has coordinates,has disorder","219310","2020-10-21","18:00:00",""
"7157147","9.0518","0.0004","12.1315","0.0005","18.9731","0.0008","90","","90","","90","","2083.47","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","28","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Luo, Shao-Xiong; Liu, Yanzhou; Lambrecht, Michael J.; Ortwine, Daniel F.; DiPasquale, Antonio G.; Liang, Jun; Wang, Xiaojing; Zbieg, Jason R.; Li, Jun","cis-Selective synthesis of 1,3-disubstituted tetrahydro-β-carbolines from N-sulfonyl N,S-acetals.","Organic & biomolecular chemistry","2019","17","43","9510","","10.1039/c9ob01796h","","","0.71073","MoKα","","0.0472","0.0403","","","0.0889","0.0922","","","","","","1.081","","","","has coordinates","225313","2020-10-21","18:00:00",""
"7157148","9.2149","0.0003","11.3488","0.0004","19.7251","0.0007","90","","90","","90","","2062.81","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","14","","- C23 H26 N2 O3 S -","- C23 H26 N2 O3 S -","- C92 H104 N8 O12 S4 -","4","1","","Luo, Shao-Xiong; Liu, Yanzhou; Lambrecht, Michael J.; Ortwine, Daniel F.; DiPasquale, Antonio G.; Liang, Jun; Wang, Xiaojing; Zbieg, Jason R.; Li, Jun","cis-Selective synthesis of 1,3-disubstituted tetrahydro-β-carbolines from N-sulfonyl N,S-acetals.","Organic & biomolecular chemistry","2019","17","43","9510","","10.1039/c9ob01796h","","","0.71073","MoKα","","0.0364","0.0342","","","0.0826","0.0843","","","","","","1.063","","","","has coordinates","225313","2020-10-21","18:00:00",""
"7157149","9.6081","0.0003","15.136","0.0004","11.7745","0.0003","90","","101.041","0.003","90","","1680.65","0.08","199.94","0.12","199.94","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 S -","- C22 H16 N2 S -","- C88 H64 N8 S4 -","4","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","","1.54184","CuKα","","0.0829","0.073","","","0.1773","0.1856","","","","","","1.021","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157150","13.0978","0.0006","8.4281","0.0004","21.7783","0.0009","90","","103.164","0.004","90","","2340.92","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 O4 S -","- C28 H20 N4 O4 S -","- C112 H80 N16 O16 S4 -","4","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","","1.54184","CuKα","","0.1047","0.0749","","","0.1957","0.221","","","","","","1.054","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157151","8.7248","0.0013","8.5852","0.001","11.534","0.0017","90","","105.252","0.017","90","","833.5","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H14 N2 O -","- C22 H16 N2 O -","- C44 H32 N4 O2 -","2","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.1186","0.062","","","0.1374","0.1707","","","","","","1.012","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157152","9.4466","0.0004","9.9176","0.0004","19.5777","0.0009","79.604","0.004","86.538","0.004","70.029","0.004","1695.59","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N8 O S2 -","- C40 H30 N8 O S2 -","- C80 H60 N16 O2 S4 -","2","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","","1.54184","CuKα","","0.0726","0.0633","","","0.1823","0.1937","","","","","","1.043","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157153","8.8175","0.001","10.9212","0.0015","10.9295","0.0016","76.676","0.012","67.685","0.012","89.692","0.01","943.5","0.2","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N2 O4 S -","- C24 H16 N2 O4 S -","- C48 H32 N4 O8 S2 -","2","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.2095","0.0726","","","0.1194","0.1677","","","","","","0.925","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157154","9.6424","0.0015","15.1758","0.0017","11.7826","0.0013","90","","101.61","0.013","90","","1688.9","0.4","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 Se -","- C22 H16 N2 Se -","- C88 H64 N8 Se4 -","4","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.1725","0.0958","","","0.1745","0.2162","","","","","","1.058","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157155","9.5114","0.001","15.691","0.0017","11.5516","0.0011","90","","98.966","0.009","90","","1702.9","0.3","149.98","0.1","149.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F2 N2 S -","- C22 H14 F2 N2 S -","- C88 H56 F8 N8 S4 -","4","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.1595","0.1213","","","0.3057","0.3486","","","","","","1.0658","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157156","11.8825","0.0006","12.7306","0.0005","20.6914","0.0008","90.924","0.003","101.853","0.004","111.378","0.004","2838.3","0.2","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C72 H60 N6 Se3 -","- C72 H60 N6 Se3 -","- C144 H120 N12 Se6 -","2","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.0669","0.0385","","","0.072","0.0808","","","","","","1.0209","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157157","6.4036","0.0012","7.8241","0.0019","14.538","0.003","85.37","0.003","89.441","0.002","70.995","0.002","686.3","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C32 H26 N2 O4 S2 -","2","1","","You, Guirong; Xi, Dan; Sun, Jian; Hao, Liqiang; Xia, Chengcai","Transition-metal- and oxidant-free three-component reaction of quinoline N-oxides, sodium metabisulfite and aryldiazonium tetrafluoroborates via a dual radical coupling process.","Organic & biomolecular chemistry","2019","17","43","9479","","10.1039/c9ob02106j","","","0.71073","MoKα","","0.0545","0.0424","","","0.1328","0.1445","","","","","","1.058","","","","has coordinates","225312","2020-10-21","18:00:00",""
"7157158","13.4238","0.0005","10.0908","0.0003","16.9778","0.0007","90","","96.486","0.004","90","","2285.04","0.15","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","He, Yi; Narmon, Thomas; Wu, Danjun; Li, Zhenghua; Van Meervelt, Luc; Van der Eycken, Erik V.","A gold-triggered dearomative spirocarbocyclization/Diels-Alder reaction cascade towards diverse bridged N-heterocycles.","Organic & biomolecular chemistry","2019","17","43","9529","","10.1039/c9ob01967g","","x-ray","0.71073","MoKα","","0.1043","0.0677","","","0.1724","0.1975","","","","","","1.052","","","","has coordinates","225314","2020-10-21","18:00:00",""
"7157159","11.7236","0.0005","11.754","0.0005","17.2404","0.0008","73.252","0.004","73.789","0.004","71.074","0.004","2106.24","0.17","294.15","","294.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C96 H104 N8 O12 -","4","2","","He, Yi; Narmon, Thomas; Wu, Danjun; Li, Zhenghua; Van Meervelt, Luc; Van der Eycken, Erik V.","A gold-triggered dearomative spirocarbocyclization/Diels-Alder reaction cascade towards diverse bridged N-heterocycles.","Organic & biomolecular chemistry","2019","17","43","9529","","10.1039/c9ob01967g","","x-ray","0.71073","MoKα","","0.09","0.058","","","0.123","0.1407","","","","","","1.044","","","","has coordinates,has disorder","225314","2020-10-21","18:00:00",""
"7157160","14.89204","0.00007","17.25623","0.0001","28.41877","0.00013","90","","98.1145","0.0004","90","","7229.95","0.06","103","","103","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C87 H79 N6 O7 -","- C87 H79 N6 O7 -","- C348 H316 N24 O28 -","4","1","","Saito, Yuuki; Satake, Misa; Mori, Ryuichi; Okayasu, Misaki; Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Yamaguchi, Kentaro; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Synthesis and chiroptical properties of cylindrical macrocycles comprising two calix[3]aramide moieties.","Organic & biomolecular chemistry","2020","18","2","230","236","10.1039/c9ob02022e","","","1.54187","CuKα","","0.072","0.0654","","","0.1818","0.1884","","","","","","1.028","","","","has coordinates,has disorder","247821","2020-10-21","18:00:00",""
"7157161","9.47394","0.00008","19.77494","0.0001","19.02693","0.00013","90","","101.684","0.0008","90","","3490.77","0.04","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 N3 O3 -","- C45 H39 N3 O3 -","- C180 H156 N12 O12 -","4","1","","Saito, Yuuki; Satake, Misa; Mori, Ryuichi; Okayasu, Misaki; Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Yamaguchi, Kentaro; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Synthesis and chiroptical properties of cylindrical macrocycles comprising two calix[3]aramide moieties.","Organic & biomolecular chemistry","2020","18","2","230","236","10.1039/c9ob02022e","","","1.54187","CuKα","","0.0407","0.0367","","","0.0935","0.0963","","","","","","1.024","","","","has coordinates","247821","2020-10-21","18:00:00",""
"7157162","10.3112","0.0001","17.8036","0.0002","30.2278","0.0003","90","","90","","90","","5549.11","0.1","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O8 -","- C24 H19 N O8 -","- C192 H152 N8 O64 -","8","2","","Lv, Dan; Zhao, Min; Wang, Youming; Zhou, Zhenghong","3-Nitro-3,4-dihydrocoumarins: Valuable precursors for the synthesis of enantiomerically enriched masked quaternary α-amino acid derivatives with a 3,4-dihydrocoumarin scaffold","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02089F","","x-ray","1.54184","CuKα","","0.0494","0.0445","","","0.1315","0.1372","","","","","","1.065","","","","has coordinates","219482","2020-10-21","18:00:00",""
"7157163","28.377","0.0019","7.1579","0.0005","19.4046","0.0016","90","","103.671","0.007","90","","3829.8","0.5","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N O5 -","- C24 H19 N O5 -","- C192 H152 N8 O40 -","8","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","0.71073","MoKα","","0.0734","0.0515","","","0.1031","0.1135","","","","","","1.065","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157164","10.7035","0.0006","12.0971","0.0006","11.5118","0.0005","90","","91","0.005","90","","1490.34","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","0.71073","MoKα","","0.0464","0.0395","","","0.0966","0.1022","","","","","","1.021","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157165","10.567","0.0008","21.4436","0.0016","9.5202","0.0009","90","","114.05","0.01","90","","1970","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 F N O4 -","- C25 H18 F N O4 -","- C100 H72 F4 N4 O16 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","0.71073","MoKα","","0.085","0.0557","","","0.108","0.1241","","","","","","1.032","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157166","9.2679","0.0007","11.9073","0.0008","18.539","0.0013","90","","102.734","0.001","90","","1995.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br N O3 -","- C25 H18 Br N O3 -","- C100 H72 Br4 N4 O12 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","","0.71073","MoKα","","0.0549","0.0365","","","0.0915","0.1022","","","","","","1.065","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157167","8.8536","0.0003","11.084","0.0004","15.3754","0.0006","90","","101.43","0.004","90","","1478.91","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 F N O4 -","- C19 H14 F N O4 -","- C76 H56 F4 N4 O16 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","0.71073","MoKα","","0.053","0.0437","","","0.1068","0.1131","","","","","","1.04","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157168","8.8644","0.0007","11.2698","0.0009","15.5335","0.0013","90","","98.749","0.001","90","","1533.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cl N O3 -","- C19 H14 Cl N O3 -","- C76 H56 Cl4 N4 O12 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","","0.71073","MoKα","","0.0386","0.0336","","","0.091","0.0946","","","","","","1.037","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157169","8.95357","0.00019","11.3492","0.0002","15.4615","0.0003","90","","100.458","0.002","90","","1545.03","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cl N O4 -","- C19 H14 Cl N O4 -","- C76 H56 Cl4 N4 O16 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","1.54184","CuKα","","0.044","0.0428","","","0.1154","0.1165","","","","","","1.048","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157170","9.0065","0.0005","11.3472","0.0006","15.5009","0.0009","90","","100.69","0.005","90","","1556.68","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","0.71073","MoKα","","0.0647","0.0484","","","0.1097","0.1208","","","","","","1.039","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157171","9.1764","0.0006","10.3922","0.0005","11.8331","0.0007","92.396","0.004","100.32","0.005","101.272","0.005","1085.31","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cl N O5 -","- C26 H21 Cl N O5 -","- C52 H42 Cl2 N2 O10 -","2","1","","Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying","Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02193K","","x-ray","1.54184","CuKα","","0.0666","0.0599","","","0.1653","0.1747","","","","","","1.076","","","","has coordinates","219508","2020-10-21","18:00:00",""
"7157172","36.731","0.009","9.552","0.002","16.611","0.004","90","","104.527","0.006","90","","5642","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 F12 N P3 -","- C25 H24 F12 N P3 -","- C200 H192 F96 N8 P24 -","8","1","","Burgoyne, Morgan M.; MacDougall, Thomas M.; Haines, Zachary N.; Conrad, Jordan W.; Calhoun, Larry A.; Decken, Andreas; Dyker, Adam","A Strong Organic Electron Donor Incorporating Highly π-Donating Triphenylphosphonium Ylidyl Substituents","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01984G","","x-ray","0.71073","MoKα","","0.0624","0.0415","","","0.0999","0.1156","","","","","","1.051","","","","has coordinates","220581","2020-10-21","18:00:00",""
"7157173","7.773","0.005","8.96","0.006","9.546","0.006","78.697","0.009","76.144","0.008","69.086","0.009","598.5","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H23 F6 N P2 -","- C25 H23 F6 N P2 -","- C25 H23 F6 N P2 -","1","1","","Burgoyne, Morgan M.; MacDougall, Thomas M.; Haines, Zachary N.; Conrad, Jordan W.; Calhoun, Larry A.; Decken, Andreas; Dyker, Adam","A Strong Organic Electron Donor Incorporating Highly π-Donating Triphenylphosphonium Ylidyl Substituents","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01984G","","x-ray","0.71073","MoKα","","0.0692","0.0566","","","0.1433","0.1536","","","","","","1.1","","","","has coordinates,has disorder","220581","2020-10-21","18:00:00",""
"7157174","10.0547","0.0013","19.198","0.003","8.7595","0.0013","90","","90","","90","","1690.8","0.4","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Shang, Yongjia; Zuo, Youpeng; He, Xinwei; Ning, Yi; Tang, Qiang; Xie, Mengqing; Hu, Wangcheng","Substituent-oriented C-N bond formation via N-H insertion or Wolff rearrangement of 5-aryl-1H-pyrazoles and diazo compounds","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01868A","","","0.71073","MoKα","","0.0459","0.0393","","","0.0974","0.1035","","","","","","1.032","","","","has coordinates","220582","2020-10-21","18:00:00",""
"7157175","11.3784","0.001","8.5648","0.0007","37.271","0.003","90","","90","","90","","3632.2","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Br N2 O2 -","- C21 H17 Br N2 O2 -","- C168 H136 Br8 N16 O16 -","8","1","","Shang, Yongjia; Zuo, Youpeng; He, Xinwei; Ning, Yi; Tang, Qiang; Xie, Mengqing; Hu, Wangcheng","Substituent-oriented C-N bond formation via N-H insertion or Wolff rearrangement of 5-aryl-1H-pyrazoles and diazo compounds","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01868A","","","0.71073","MoKα","","0.085","0.0474","","","0.1059","0.1228","","","","","","1.029","","","","has coordinates","220582","2020-10-21","18:00:00",""
"7157176","6.8253","0.0004","7.8483","0.0004","30.9897","0.0018","90","","97.986","0.002","90","","1643.93","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Shang, Yongjia; Zuo, Youpeng; He, Xinwei; Ning, Yi; Tang, Qiang; Xie, Mengqing; Hu, Wangcheng","Substituent-oriented C-N bond formation via N-H insertion or Wolff rearrangement of 5-aryl-1H-pyrazoles and diazo compounds","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01868A","","","0.71073","MoKα","","0.0669","0.0636","","","0.3322","0.3521","","","","","","1.034","","","","has coordinates","220582","2020-10-21","18:00:00",""
"7157177","13.6368","0.0019","14.139","0.002","15.614","0.002","104.059","0.013","92.816","0.011","92.523","0.013","2912","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 N6 O8 P2 -","- C68 H56 N6 O8 P2 -","- C136 H112 N12 O16 P4 -","2","1","","Zheng, Lu; Zheng, Dan; Wang, Yanru; Yu, Chengyuan; Zhang, Kun; Jiang, Hua","Chiral Bisphosphine Ligands based on Quinoline Oligoamide Foldamer: Application in Asymmetric Hydrogenation","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01649J","","x-ray","1.54184","CuKα","","0.3369","0.2094","","","0.4609","0.5529","","","","","","1.075","","","","has coordinates","220583","2020-10-21","18:00:00",""
"7157178","19.2392","0.0007","11.0026","0.0005","33.5952","0.0016","90","","101.948","0.004","90","","6957.4","0.5","101","","101","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H60 Cl9 N7 O7 P2 -","- C71 H60 Cl9 N7 O7 P2 -","- C284 H240 Cl36 N28 O28 P8 -","4","1","","Zheng, Lu; Zheng, Dan; Wang, Yanru; Yu, Chengyuan; Zhang, Kun; Jiang, Hua","Chiral Bisphosphine Ligands based on Quinoline Oligoamide Foldamer: Application in Asymmetric Hydrogenation","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01649J","","x-ray","1.54184","CuKα","","0.1436","0.1092","","","0.2783","0.2979","","","","","","0.999","","","","has coordinates,has disorder","220583","2020-10-21","18:00:00",""
"7157179","14.3061","0.0018","7.8603","0.0008","15.96","0.002","90","","99.346","0.013","90","","1770.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 F2 N2 O2 -","- C8 H8 F2 N2 O2 -","- C64 H64 F16 N16 O16 -","8","2","","Chen, Suo; Wang, Hui; Jiang, Wei; Rui, Pei-Xin; Hu, Xiang-Guo","Synthesis of Tri(di)fluoroethylanilines via Copper-Catalyzed Coupling Reaction of Tri(di)fluoroethylamine with (Hetero)Aromatic Bromides","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02271F","","","0.71073","MoKα","","0.0821","0.0619","","","0.1652","0.1827","","","","","","1.049","","","","has coordinates","223284","2020-10-21","18:00:00",""
"7157180","23.51","0.002","23.51","0.002","4.8517","0.0006","90","","90","","120","","2322.4","0.4","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C11 H9 F3 N2 -","- C11 H9 F3 N2 -","- C99 H81 F27 N18 -","9","1","","Chen, Suo; Wang, Hui; Jiang, Wei; Rui, Pei-Xin; Hu, Xiang-Guo","Synthesis of Tri(di)fluoroethylanilines via Copper-Catalyzed Coupling Reaction of Tri(di)fluoroethylamine with (Hetero)Aromatic Bromides","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02271F","","","0.71073","MoKα","","0.0529","0.0484","","","0.1255","0.1295","","","","","","1.073","","","","has coordinates","223284","2020-10-21","18:00:00",""
"7157181","27.319","0.0006","27.319","0.0006","19.5324","0.0004","90","","90","","120","","12624.5","0.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H36 Cl N3 O Pd Se -","- C24 H36 Cl N3 O Pd Se -","- C432 H648 Cl18 N54 O18 Pd18 Se18 -","18","1","","Sharma, Kamal Nayan; Satrawala, Naveen; Srivastava, Avinash Kumar; Ali, Munsaf; Joshi, Raj Kumar","Palladium(ii) ligated with a selenated (Se, C<sub>NHC</sub>, N<sup>-</sup>)-type pincer ligand: an efficient catalyst for Mizoroki-Heck and Suzuki-Miyaura coupling in water.","Organic & biomolecular chemistry","2019","17","40","8969","8976","10.1039/c9ob01674k","","","0.71073","MoKα","","0.0724","0.0578","","","0.175","0.1876","","","","","","1.059","","","","has coordinates","223419","2020-10-21","18:00:00",""
"7157182","11.065","","11.521","","15.832","","90","","97.78","","90","","1999.68","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Zeng, Qian; Dong, Kuiyong; Huang, Jingjing; Qiu, Lihua; Xu, Xinfang","Copper-catalyzed carbene/alkyne metathesis terminated with the Buchner reaction: synthesis of dihydrocyclohepta[b]indoles.","Organic & biomolecular chemistry","2019","17","9","2326","2330","10.1039/c9ob00113a","","","0.71073","MoKα","","0.1476","0.1073","","","0.1803","0.2016","","","","","","1.185","","","","has coordinates","223420","2020-10-21","18:00:00",""
"7157183","12.875","0.002","13.03","0.002","15.195","0.003","76.583","0.012","78.566","0.012","72.177","0.012","2338.2","0.7","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 N2 O3 S -","- C29 H22 N2 O3 S -","- C116 H88 N8 O12 S4 -","4","2","","Kundal, Sandip; Chakraborty, Baitan; Paul, Kartick; Jana, Umasish","Efficient two-step synthesis of structurally diverse indolo[2,3-b]quinoline derivatives.","Organic & biomolecular chemistry","2019","17","9","2321","2325","10.1039/c8ob03033b","","","0.71073","MoKα","","0.1707","0.0691","","","0.1304","0.1594","","","","","","0.773","","","","has coordinates","223421","2020-10-21","18:00:00",""
"7157184","8.5086","0.0004","17.1346","0.0008","22.5907","0.0011","90","","99.192","0.002","90","","3251.2","0.3","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 S -","- C19 H16 N2 S -","- C152 H128 N16 S8 -","8","2","","Zhang, Xi; Wang, Tong-Lin; Liu, Xiao-Jun; Wang, Xi-Cun; Quan, Zheng-Jun","The solvent-controlled chemoselective construction of C-S/S-S bonds via the Michael reaction/thiol coupling of quinoline-2-thiones.","Organic & biomolecular chemistry","2019","17","9","2379","2383","10.1039/c8ob02971g","","","1.54178","CuKα","","0.0416","0.0376","","","0.1034","0.1074","","","","","","1.028","","","","has coordinates,has disorder","223422","2020-10-21","18:00:00",""
"7157185","11.79","0.007","7.792","0.004","16.696","0.009","90","","103.74","0.02","90","","1489.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","pyrazole","'(Z)-1,1,1-trifluoro-5-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-4-(pyrroli","","- C14 H15 F6 N3 O -","- C14 H15 F6 N3 O -","- C56 H60 F24 N12 O4 -","4","1","","Moraes, Paulo A.; Lobo, Marcio M.; Marangoni, Mário A; Meyer, Alexandre R.; Frizzo, Clarissa P.; Bonacorso, Helio G.; Martins, Marcos A. P.; Zanatta, Nilo","Chemo- and regioselective reactions of 5-bromo enones/enaminones with pyrazoles.","Organic & biomolecular chemistry","2019","17","9","2384","2392","10.1039/c9ob00234k","","","0.71073","MoKα","","0.1381","0.1162","","","0.319","0.3372","","","","","","1.421","","","","has coordinates","223423","2020-10-21","18:00:00",""
"7157186","11.65","0.005","18.43","0.005","15.238","0.005","90","0.005","90","0.005","90","0.005","3272","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","pyrazole","'4-(diethylamino)-5-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)pent-3-en-2-on","","- C14 H17 F6 N3 O -","- C14 H17 F6 N3 O -","- C112 H136 F48 N24 O8 -","8","1","","Moraes, Paulo A.; Lobo, Marcio M.; Marangoni, Mário A; Meyer, Alexandre R.; Frizzo, Clarissa P.; Bonacorso, Helio G.; Martins, Marcos A. P.; Zanatta, Nilo","Chemo- and regioselective reactions of 5-bromo enones/enaminones with pyrazoles.","Organic & biomolecular chemistry","2019","17","9","2384","2392","10.1039/c9ob00234k","","","0.71073","MoKα","","0.1432","0.1065","","","0.2811","0.3125","","","","","","1.049","","","","has coordinates","223423","2020-10-21","18:00:00",""
"7157187","17.353","0.005","24.435","0.008","5.4165","0.0017","90","","90","","90","","2296.7","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br2 O5 -","- C24 H24 Br2 O5 -","- C96 H96 Br8 O20 -","4","1","","Shit, Sudip; Devi, Namita; Devi, Ngangbam Renubala; Saikia, Anil K.","Stereoselective synthesis of hexahydrofuro[3,4-b]furan-4-ol and its dimer via tandem Prins and pinacol rearrangement.","Organic & biomolecular chemistry","2019","17","31","7398","7407","10.1039/c9ob01353a","","","0.71073","MoKα","","0.1571","0.0605","","","0.1377","0.1942","","","","","","0.974","","","","has coordinates","223424","2020-10-21","18:00:00",""
"7157188","5.845","0.0005","7.6852","0.0006","12.8843","0.001","90","","100.457","0.008","90","","569.15","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 Br O3 -","- C12 H13 Br O3 -","- C24 H26 Br2 O6 -","2","1","","Shit, Sudip; Devi, Namita; Devi, Ngangbam Renubala; Saikia, Anil K.","Stereoselective synthesis of hexahydrofuro[3,4-b]furan-4-ol and its dimer via tandem Prins and pinacol rearrangement.","Organic & biomolecular chemistry","2019","17","31","7398","7407","10.1039/c9ob01353a","","","0.71073","MoKα","","0.0541","0.0437","","","0.0851","0.093","","","","","","1.029","","","","has coordinates","223424","2020-10-21","18:00:00",""
"7157189","13","0.005","13.405","0.005","17.492","0.007","90","","90","","90","","3048","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O7 -","- C32 H32 N2 O7 -","- C128 H128 N8 O28 -","4","1","","Sharma, Arun; Sharma, Vivek; Chimni, Swapandeep Singh","Organocatalytic enantioselective conjugate addition of pyrazolin-5-ones to arylomethylidene malonates.","Organic & biomolecular chemistry","2019","17","43","9514","","10.1039/c9ob01700c","","","0.71073","MoKα","","0.0992","0.0664","","","0.1851","0.2191","","","","","","1.011","","","","has coordinates","223425","2020-10-21","18:00:00",""
"7157190","33.8739","0.0008","5.105","0.0001","14.1957","0.0003","90","","95.465","0.002","90","","2443.65","0.09","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H28 N3 O5 -","- C28 H27 N3 O5 -","- C112 H108 N12 O20 -","4","1","","Carceller-Ferrer, Laura; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, Jose R.","Organocatalytic Enantioselective Aminoalkylation of Pyrazol-3-ones with Aldimines Generated in Situ from α‐Amido Sulfones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02252J","","","1.54178","CuKα","","0.0509","0.0437","","","0.1133","0.1236","","","","","","0.968","","","","has coordinates","223445","2020-10-21","18:00:00",""
"7157191","14.9877","0.0002","8.495","0.0001","19.3047","0.0003","90","","111.38","0.002","90","","2288.74","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Br N3 O3 -","- C26 H26 Br N3 O3 -","- C104 H104 Br4 N12 O12 -","4","1","","Zhang, Dan; Liu, Junwen; Kang, Zhenghui; Qiu, Huang; Hu, Wenhao","A rhodium-catalysed three-component reaction to access C1-substituted tetrahydroisoquinolines","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02303H","","x-ray","1.54184","CuKα","","0.0483","0.0435","","","0.114","0.1172","","","","","","1.098","","","","has coordinates","225410","2020-10-21","18:00:00",""
"7157192","6.2645","0.0006","12.7734","0.0012","10.8124","0.0015","90","","95.177","0.008","90","","861.67","0.17","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","1","","Vazquez-Chavez, Josué; Luna-Morales, Socorro; Cruz-Aguilar, Diego Alfonso; Díaz-Salazar, Howard; Vallejo Narváez, Wilmer Esteban; Silva-Gutiérrez, Rodrigo Salvador; Ortega, Simon Hernandez; Rocha-Rinza, Tomás; Hernández-Rodríguez, Marcos","Effect of chiral N-substituents with methyl or trifluoromethyl groups on the catalytic performance of mono- and bifunctional thioureas.","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01893J","","","1.54178","CuKα","","0.0521","0.0477","","","0.1067","0.1108","","","","","","1.157","","","","has coordinates","225411","2020-10-21","18:00:00",""
"7157193","9.9294","0.0003","22.8248","0.0008","8.0346","0.0003","90","","90","","90","","1820.93","0.11","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","0.5","","Song, Bo; Wang, Mengdan; Xu, Murong; Kong, Lingkai; Xie, Huihui; Wang, Cheng-Yu; LI, Yanzhong","Controllable Synthesis of Pyrido[2,3-b]indol-4-ones or Indolo[3,2-b]quinolines via Formal Intramolecular C(sp2)-H Functionalization","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02108F","","","0.71073","MoKα","","0.0574","0.051","","","0.1542","0.1661","","","","","","1.05","","","","has coordinates","225683","2020-10-21","18:00:00",""
"7157194","29.0281","0.001","11.0265","0.0003","12.8199","0.0004","90","","90","","90","","4103.4","0.2","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24.5 H18 Br Cl N2 O -","- C24.5 H18 Br Cl N2 O -","- C196 H144 Br8 Cl8 N16 O8 -","8","2","","Song, Bo; Wang, Mengdan; Xu, Murong; Kong, Lingkai; Xie, Huihui; Wang, Cheng-Yu; LI, Yanzhong","Controllable Synthesis of Pyrido[2,3-b]indol-4-ones or Indolo[3,2-b]quinolines via Formal Intramolecular C(sp2)-H Functionalization","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02108F","","","0.71073","MoKα","","0.0431","0.0355","","","0.0744","0.0783","","","","","","1.022","","","","has coordinates","225683","2020-10-21","18:00:00",""
"7157195","9.1784","0.0004","15.0323","0.0006","17.5468","0.0006","90","","99.573","0.001","90","","2387.26","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 O2 S -","- C26 H26 N4 O2 S -","- C104 H104 N16 O8 S4 -","4","1","","Chen, Mintao; Wei, Yin; Shi, Min","A facile method for the synthesis of dihydroquinoline-azide from the Lewis acid-catalyzed reaction of alkylidenecyclopropanes with TMSN3","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02309G","","","0.71073","MoKα","","0.0806","0.0678","","","0.1932","0.2093","","","","","","1.034","","","","has coordinates","227645","2020-10-21","18:00:00",""
"7157196","5.884","0.0006","8.0198","0.0007","24.297","0.003","90","","95.847","0.007","90","","1140.6","0.2","276","2","276","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C52 H40 N8 S4 -","4","1","","Liu, Shanshan; Yang, Heng; Jiao, Lin-Yu; Zhang, Jian-Hua; Zhao, Chen; Ma, Yangmin; Yang, Xiufang","Regioselective deoxygenative chalcogenation of 7-azindole N-oxides promoted by I2/PEG-200","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02044F","","","0.71073","MoKα","","0.1487","0.066","","","0.148","0.1717","","","","","","1.074","","","","has coordinates","227646","2020-10-21","18:00:00",""
"7157197","6.8","0.0002","15.603","0.0004","17.7559","0.0006","90","","90","","90","","1883.91","0.1","99.98","0.12","99.98","0.12","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C88 H88 O24 -","- C88 H88 O24 -","- C88 H88 O24 -","1","0.25","","Liu, Zhaoming; Tan, Haibo; Chen, Kai; Chen, Yuchan; Zhang, Wenge; Chen, Shanchong; Liu, Hong-Xin; Zhang, Weimin","Rhizophols A and B, antioxidant and axially chiral benzophenones from the endophytic fungus Cytospora rhizophorae","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02282A","","x-ray","1.54184","CuKα","","0.0517","0.0448","","","0.122","0.1271","","","","","","1.069","","","","has coordinates","227689","2020-10-21","18:00:00",""
"7157198","6.3877","0.0014","9.9122","0.0019","14.758","0.003","79.468","0.016","78.355","0.018","72.386","0.018","864.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C42 H38 N2 O4 -","2","1","","Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael","Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02120E","","","0.71073","MoKα","","0.0975","0.057","","","0.1359","0.1607","","","","","","0.988","","","","has coordinates","227690","2020-10-21","18:00:00",""
"7157199","8.47","0.002","13.267","0.003","9.675","0.002","90","","91.53","0.02","90","","1086.8","0.4","295","","295.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 F3 O2 S -","- C11 H9 F3 O2 S -","- C44 H36 F12 O8 S4 -","4","1","","Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael","Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02120E","","x-ray","0.71073","MoKα","","0.0561","0.0435","","","0.1132","0.1221","","","","","","1.066","","","","has coordinates","227690","2020-10-21","18:00:00",""
"7157200","19.452","0.007","16.461","0.007","10.122","0.003","90","","90","","90","","3241","2","295","","295.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C19 H13 Cl F3 N -","- C19 H13 Cl F3 N -","- C152 H104 Cl8 F24 N8 -","8","1","","Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael","Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02120E","","","0.71073","MoKα","","0.1124","0.0562","","","0.1083","0.1354","","","","","","1.038","","","","has coordinates,has disorder","227690","2020-10-21","18:00:00",""
"7157201","7.6883","0.0017","9.4591","0.0015","11.7328","0.0019","82.664","0.014","79.063","0.017","76.17","0.016","810.4","0.3","295","2","295.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C40 H34 N2 O6 -","2","1","","Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael","Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02120E","","x-ray","0.71073","MoKα","","0.0855","0.0592","","","0.1545","0.1868","","","","","","1.05","","","","has coordinates","227690","2020-10-21","18:00:00",""
"7157202","13.153","0.004","15.177","0.005","7.937","0.002","90","","106.57","0.03","90","","1518.6","0.8","295","2","295.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F3 N O S -","- C16 H16 F3 N O S -","- C64 H64 F12 N4 O4 S4 -","4","1","","Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael","Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02120E","","x-ray","0.71073","MoKα","","0.0756","0.0479","","","0.1065","0.1271","","","","","","1.033","","","","has coordinates,has disorder","227690","2020-10-21","18:00:00",""
"7157203","7.6469","0.0006","11.4426","0.0008","19.78","0.0013","90","","93.222","0.005","90","","1728","0.2","296","2","296","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","KN-415","(3-Benzoylbenzofuran-2-yl)(p-tolyl)methanone","","- C23 H16 O3 -","- C23 H16 O3 -","- C92 H64 O12 -","4","1","","Neog, Kashmiri; Das, Babulal; Gogoi, Pranjal","2,3-Diaroyl benzofurans from arynes: sequential synthesis of 2-aroyl benzofurans followed by benzoylation.","Organic & biomolecular chemistry","2018","16","17","3138","3150","10.1039/c8ob00631h","","","0.71073","MoKα","","0.0624","0.0447","","","0.1371","0.1521","","","","","","1.056","","","","has coordinates","227924","2020-10-21","18:00:00",""
"7157204","8.83","0.0002","14.378","0.0009","17.669","0.001","90","","90","","90","","2243.2","0.2","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Galai6 (Prathap)","","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C96 H128 N16 O8 -","4","1","","Darapaneni, Chandra Mohan; Kaniraj, Prathap Jeya; Maayan, Galia","Water soluble hydrophobic peptoids via a minor backbone modification.","Organic & biomolecular chemistry","2018","16","9","1480","1488","10.1039/c7ob02928d","","","0.71073","MoKα","","0.0457","0.0385","","","0.0934","0.0961","","","","","","1.069","","","","has coordinates","227925","2020-10-21","18:00:00",""
"7157205","24.3697","0.0019","9.1064","0.0007","6.6779","0.0006","90","","99.992","0.004","90","","1459.5","0.2","205","","205","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0317","0.0314","","","0.0818","0.0824","","","","","","1.024","","","","has coordinates","227926","2020-10-21","18:00:00",""
"7157206","24.373","0.002","9.0977","0.0008","6.6706","0.0006","90","","99.828","0.004","90","","1457.4","0.2","205","","205","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0355","0.0302","","","0.0716","0.0735","","","","","","0.973","","","","has coordinates","227926","2020-10-21","18:00:00",""
"7157207","24.2407","0.0008","9.1871","0.0003","6.5418","0.0003","90","","105.441","0.002","90","","1404.28","0.09","173","","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0367","0.0331","","","0.0847","0.0865","","","","","","1.04","","","","has coordinates","227926","2020-10-21","18:00:00",""
"7157208","13.4658","0.0004","15.2404","0.0004","10.0603","0.0003","90","","105.168","0.001","90","","1992.69","0.1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br I N O2 -","- C24 H17 Br I N O2 -","- C96 H68 Br4 I4 N4 O8 -","4","1","","Li, Jian; zhu, shang-rong; Xu, Qiuneng; Liu, Li; Yan, Shenghu","BrØnsted Acid Mediated Intramolecular Cyclopropane Ring Expansion/[4+2]-Cycloaddition","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02379H","","","1.34139","GaKα","","0.0537","0.0469","","","0.117","0.1223","","","","","","1.065","","","","has coordinates","227937","2020-10-21","18:00:00",""
"7157209","19.181","0.006","7.746","0.003","12.126","0.004","90","","91.846","0.008","90","","1800.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Li, Yan; Guo, Juan; Lu, Xunbo; Zhong, Fangrui","One-step assembly of alkoxypyrroloindolines via iodine-catalyzed alkoxycyclization of indole derivatives.","Organic & biomolecular chemistry","2019","18","1","32","35","10.1039/c9ob02287b","","","0.71073","MoKα","","0.1509","0.0799","","","0.1827","0.2228","","","","","","1.018","","","","has coordinates","247802","2020-10-21","18:00:00",""
"7157210","13.1159","0.0007","10.7662","0.0006","23.776","0.0012","90","","102.7","0.0009","90","","3275.2","0.3","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","3g","","","- C36 H38 Cl N O4 S -","- C36 H38 Cl N O4 S -","- C144 H152 Cl4 N4 O16 S4 -","4","2","","Zhao, Kun; Wang, Junwei; pan, xiang; Zhao, Lei; zhao, lin; Liu, Jian; zhi, ying; wang, ai; Hu, Lihong","Diastereoselective construction of 3-aryl-substituted indolines via annulation of in situ generated p-quinone methides","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02351H","","","0.71073","","","0.0703","0.052","","","0.1082","0.1196","","","","","","1.017","","","","has coordinates","227939","2020-10-21","18:00:00",""
"7157211","6.44427","0.00008","25.748","0.0003","31.5946","0.0004","90","","90","","90","","5242.4","0.11","292.2","0.4","292.2","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O2 -","- C30 H48 O2 -","- C240 H384 O16 -","8","2","","Yu, Chun-Xue; Wang, Ru-Yue; Qi, Feng-Ming; Su, Pan-Jie; Yu, Yi-Fan; Li, Bing; Zhao, Ye; Zhi, De-Juan; Zhang, Zhan-Xin; Fei, Dong-Qing","Eupulcherol A, a triterpenoid with a new carbon skeleton from Euphorbia pulcherrima, and its anti-Alzheimer's disease bioactivity.","Organic & biomolecular chemistry","2019","18","1","76","80","10.1039/c9ob02334h","","","1.54184","CuKα","","0.0496","0.043","","","0.1059","0.1105","","","","","","1.02","","","","has coordinates,has disorder","247804","2020-10-21","18:00:00",""
"7157212","10.06056","0.00013","8.66685","0.0001","33.764","0.0004","90","","90.1091","0.0012","90","","2943.99","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H66 Br2 N2 O25 -","- C54 H66 Br2 N2 O25 -","- C108 H132 Br4 N4 O50 -","2","1","","Matamoros, Esther; Cintas, Pedro; Light, Mark; Palacios, Juan C.","Electronic effects in tautomeric equilibria: The case of chiral imines from D-glucamine and 2-hydroxyacetophenones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02147G","","x-ray","0.71073","MoKα","","0.0379","0.031","","","0.0636","0.0662","","","","","","1.025","","","","has coordinates","231072","2020-10-21","18:00:00",""
"7157213","7.776","0.0018","15.236","0.003","15.292","0.004","90","","101.96","0.013","90","","1772.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O Se -","- C22 H17 N O Se -","- C88 H68 N4 O4 Se4 -","4","1","","Sahoo, Harekrishna; Grandhi, Gowri Sankar; Ramakrishna, Isai; Baidya, Mahiuddin","Metal-free switchable ortho/ipso-cyclization of N-aryl alkynamides: divergent synthesis of 3-selenyl quinolin-2-ones and azaspiro[4,5]trienones","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02177A","","","0.71073","MoKα","","0.1005","0.0482","","","0.1089","0.1462","","","","","","1.095","","","","has coordinates","231073","2020-10-21","18:00:00",""
"7157214","11.118","0.002","7.8299","0.0016","11.76","0.002","90","","111.37","0.03","90","","953.4","0.4","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C40 H54 N2 O12 -","2","1","","Yang, Lin-Feng; Shimadate, Yuna; Kato, Atsushi; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Synthesis and glycosidase inhibition of N-substituted derivatives of 1,4-dideoxy-1,4-imino-d-mannitol (DIM).","Organic & biomolecular chemistry","2020","18","5","999","1011","10.1039/c9ob02029b","","","0.71073","MoKα","","0.0323","0.0318","","","0.0758","0.0763","","","","","","1.074","","","","has coordinates","249032","2020-10-21","18:00:00",""
"7157215","9.624","0.0003","12.1733","0.0004","13.1933","0.0004","73.415","0.001","72.876","0.001","78.771","0.001","1405.32","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H29 N -","- C39 H29 N -","- C78 H58 N2 -","2","1","","Wei, Hao-Zhao; Yu, Liu-Zhu; Shi, Min","Lewis or Brønsted acid-catalysed reaction of propargylic alcohol-tethered alkylidenecyclopropanes with indoles and pyrroles for the preparation of polycyclic compounds tethered with indole or pyrrole motif.","Organic & biomolecular chemistry","2019","18","1","135","139","10.1039/c9ob02211b","","","0.71073","MoKα","","0.0576","0.0421","","","0.1013","0.1136","","","","","","1.037","","","","has coordinates","247800","2020-10-21","18:00:00",""
"7157216","9.1475","0.0003","22.3413","0.0007","12.6753","0.0004","90","","100.559","0.001","90","","2546.55","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H97 N7 O6 S -","- C43 H97 N7 O6 S -","- C86 H194 N14 O12 S2 -","2","1","","Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Chelate effects in sulfate binding by amide/urea-based ligands.","Organic & biomolecular chemistry","2015","13","25","6953","6957","10.1039/c5ob00618j","","","1.54178","CuKα","","0.0308","0.0306","","","0.0811","0.0813","","","","","","1.025","","","","has coordinates","233465","2020-10-21","18:00:00",""
"7157217","22.1618","0.0009","23.5118","0.0009","26.7043","0.0011","95.763","0.002","102.319","0.002","108.227","0.002","12701","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H107.75 N10 O8.5 S -","- C56 H107.75 N10 O8.5 S -","- C448 H862 N80 O68 S8 -","8","4","","Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Chelate effects in sulfate binding by amide/urea-based ligands.","Organic & biomolecular chemistry","2015","13","25","6953","6957","10.1039/c5ob00618j","","","1.54178","CuKα","","0.1426","0.1141","","","0.3157","0.3477","","","","","","1.041","","","","has coordinates,has disorder","233465","2020-10-21","18:00:00",""
"7157218","59.086","0.002","9.0002","0.0004","18.4644","0.0006","90.05","0.002","105.8","0.002","89.986","0.002","9448.1","0.6","100","2","100","2","","","","","","","","5","C 1","C 1","1","","","","- C57 H109 N11 O8 S -","- C57 H108.999 N11 O8 S -","- C342 H653.992 N66 O48 S6 -","6","","","Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Chelate effects in sulfate binding by amide/urea-based ligands.","Organic & biomolecular chemistry","2015","13","25","6953","6957","10.1039/c5ob00618j","","","1.54178","CuKα","","0.0596","0.0534","","","0.1353","0.1418","","","","","","1.017","","","","has coordinates,has disorder","233465","2020-10-21","18:00:00",""
"7157219","7.2732","0.0009","18.924","0.002","31.436","0.004","90","","90","","90","","4326.8","0.9","200","2","200","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C23 H23 B N2 O2 -","- C23 H23 B N2 O2 -","- C184 H184 B8 N16 O16 -","8","0.5","","Shimomura, N.; Egawa, Y.; Miki, R.; Fujihara, T.; Ishimaru, Y.; Seki, T.","A red fluorophore comprising a borinate-containing xanthene analogue as a polyol sensor.","Organic & biomolecular chemistry","2016","14","42","10031","10036","10.1039/c6ob01695b","","","0.71073","MoKα","","0.0778","0.0655","","","0.1889","0.1962","","","","","","1.138","","","","has coordinates","234777","2020-10-21","18:00:00",""
"7157220","6.07381","0.00017","10.7631","0.0003","19.448","0.0005","90","","90","","90","","1271.37","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F5 N2 O S -","- C13 H9 F5 N2 O S -","- C52 H36 F20 N8 O4 S4 -","4","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.0278","0.0258","","","0.064","0.0649","","","","","","1.021","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157221","16.2237","0.0016","5.6641","0.0003","16.3505","0.0013","90","","119.308","0.012","90","","1310.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F5 N2 O S -","- C13 H9 F5 N2 O S -","- C52 H36 F20 N8 O4 S4 -","4","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.1168","0.0565","","","0.1006","0.1186","","","","","","1.024","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157222","6.3732","0.0003","12.03","0.0007","12.4738","0.0006","67.624","0.005","79.476","0.004","87.476","0.005","869.13","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H14 F5 Fe N O S -","- C19 H14 F5 Fe N O S -","- C38 H28 F10 Fe2 N2 O2 S2 -","2","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.1048","0.0553","","","0.1097","0.1262","","","","","","1.011","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157223","28.9645","0.0011","9.2222","0.0004","13.5088","0.0006","90","","102.331","0.004","90","","3525.2","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 F5 Fe N O S -","- C19 H14 F5 Fe N O S -","- C152 H112 F40 Fe8 N8 O8 S8 -","8","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.089","0.0506","","","0.0967","0.1089","","","","","","1.012","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157224","8.4375","0.0006","19.2059","0.0012","13.8112","0.001","90","","105.9","0.007","90","","2152.5","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2''-bromo-4-methyl-5'-(piperidin-1-yl)-[1,1':3',1''-terphenyl]-4'-carbonitrile","","- C2.5 H2.3 Br0.1 N0.2 -","- C2.5 H2.3 Br0.1 N0.2 -","- C100 H92 Br4 N8 -","40","10","","Althagafi, Ismail; Shaw, Ranjay; Tang, Cheng-Run; Panwar, Rahul; Shally, ?; Sinha, Chanda; Kumar, Amit; Zheng, Yong-Tang; Pratap, Ramendra","Chemoselective synthesis of isolated and fused fluorenones and their photophysical and antiviral properties.","Organic & biomolecular chemistry","2018","16","40","7477","7487","10.1039/c8ob01733f","","","0.71073","MoKα","","0.0848","0.0572","","","0.1502","0.1679","","","","","","1.039","","","","has coordinates","236878","2020-10-21","18:00:00",""
"7157225","9.145","0.006","11.501","0.007","11.649","0.008","117.55","0.02","94.48","0.03","91.05","0.02","1080.9","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N4 O2 -","- C24 H24 N4 O2 -","- C48 H48 N8 O4 -","2","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.092","0.061","","","0.1456","0.1621","","","","","","1.024","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157226","8.7498","0.0005","18.5113","0.0011","9.4511","0.0006","90","","99.3488","0.0019","90","","1510.46","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O5 S2 -","- C17 H12 O5 S2 -","- C68 H48 O20 S8 -","4","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.0584","0.0412","","","0.1011","0.109","","","","","","1.034","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157227","38.315","0.003","38.315","","5.547","0.0008","90","","90","","90","","8143.2","1.3","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C368 H368 N48 O32 -","16","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","1.54178","CuKα","","0.0713","0.0502","","","0.1101","0.1205","","","","","","1.055","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157228","11.6856","0.0009","14.0485","0.0011","13.2869","0.001","90","","96.0216","0.0018","90","","2169.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.0897","0.048","","","0.1082","0.1333","","","","","","1.008","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157229","8.8058","0.0009","20.394","0.002","9.6437","0.001","90","","99.794","0.004","90","","1706.6","0.3","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C88 H64 O12 S4 -","4","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.1122","0.0686","","","0.1245","0.1417","","","","","","1.0557","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157230","9.6018","0.0007","12.4113","0.001","16.8115","0.0014","90","","96.978","0.003","90","","1988.6","0.3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O3 S -","- C24 H23 N O3 S -","- C96 H92 N4 O12 S4 -","4","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.0512","0.0396","","","0.1011","0.1086","","","","","","1.0519","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157231","10.4124","0.0003","11.3067","0.0003","11.3573","0.0003","91.46","0.002","98.011","0.002","104.143","0.002","1281.44","0.06","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H67 N3 O15 -","- C50 H67 N3 O15 -","- C50 H67 N3 O15 -","1","1","","Bera, Kalisankar; Ayyagari, Narasimham; Satam, Nishikant; Namboothiri, Irishi N. N.","Stereoselective synthesis of hydrazinodihydrofurans via cascade Michael addition-substitution involving the reaction of curcumin and other β-dicarbonyls with α-hydrazinonitroalkenes.","Organic & biomolecular chemistry","2019","18","1","140","153","10.1039/c9ob01974j","","x-ray","1.54184","CuKα","","0.0721","0.0626","","","0.1638","0.1793","","","","","","1.079","","","","has coordinates","247803","2020-10-21","18:00:00",""
"7157232","6.9499","0.001","9.8422","0.0014","15.3854","0.0019","87.986","0.005","87.262","0.005","69.331","0.005","983.3","0.2","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H16 Cl3 N5 O2 -","- C19 H16 Cl3 N5 O2 -","- C38 H32 Cl6 N10 O4 -","2","1","","Lassagne, Frédéric; Duguépéroux, Camille; Roca, Carlos; Perez, Concepcion; Martinez, Ana; Baratte, Blandine; Robert, Thomas; Ruchaud, Sandrine; Bach, Stéphane; Erb, William; Roisnel, Thierry; Mongin, Florence","From simple quinoxalines to potent oxazolo[5,4-f]quinoxaline inhibitors of glycogen-synthase kinase 3 (GSK3).","Organic & biomolecular chemistry","2019","18","1","154","162","10.1039/c9ob02002k","","x-ray","0.71073","MoKα","","0.0956","0.0914","","","0.2237","0.2255","","","","","","1.198","","","","has coordinates","247799","2020-10-21","18:00:00",""
"7157233","15.2934","0.0007","5.9374","0.0003","19.2117","0.0011","90","","101.042","0.002","90","","1712.19","0.15","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N6 O S -","- C18 H18 N6 O S -","- C72 H72 N24 O4 S4 -","4","1","","Lassagne, Frédéric; Duguépéroux, Camille; Roca, Carlos; Perez, Concepcion; Martinez, Ana; Baratte, Blandine; Robert, Thomas; Ruchaud, Sandrine; Bach, Stéphane; Erb, William; Roisnel, Thierry; Mongin, Florence","From simple quinoxalines to potent oxazolo[5,4-f]quinoxaline inhibitors of glycogen-synthase kinase 3 (GSK3).","Organic & biomolecular chemistry","2019","18","1","154","162","10.1039/c9ob02002k","","x-ray","0.71073","MoKα","","0.0506","0.0384","","","0.0948","0.1021","","","","","","1.033","","","","has coordinates","247799","2020-10-21","18:00:00",""
"7157234","32.8955","0.0019","11.8195","0.0008","19.8693","0.0014","90","","115.421","0.0019","90","","6977.3","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 N2 O4 -","- C44 H38 N2 O4 -","- C352 H304 N16 O32 -","8","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1096","0.0694","","","0.1695","0.1951","","","","","","1.035","","","","has coordinates,has disorder","247801","2020-10-21","18:00:00",""
"7157235","11.3472","0.0008","20.551","0.0015","30.017","0.002","90","","90","","90","","6999.9","0.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H37 F N2 O4 -","- C44 H37 F N2 O4 -","- C352 H296 F8 N16 O32 -","8","2","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.114","0.0691","","","0.1726","0.194","","","","","","1.138","","","","has coordinates,has disorder","247801","2020-10-21","18:00:00",""
"7157236","10.8744","0.0011","13.9883","0.0015","14.7217","0.0014","101.625","0.003","106.436","0.003","93.568","0.004","2086.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H45 Cl N2 O7 -","- C48 H45 Cl N2 O7 -","- C96 H90 Cl2 N4 O14 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1094","0.0557","","","0.1147","0.1347","","","","","","1.019","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157237","9.0089","0.0011","10.2895","0.0014","18.456","0.003","81.638","0.004","81.362","0.004","78.888","0.004","1647.7","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Cl N2 O5 -","- C39 H35 Cl N2 O5 -","- C78 H70 Cl2 N4 O10 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.0759","0.0504","","","0.1204","0.1346","","","","","","1.022","","","","has coordinates,has disorder","247801","2020-10-21","18:00:00",""
"7157238","9.6247","0.0006","17.7668","0.0011","18.9536","0.0011","90","","91.7723","0.0019","90","","3239.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl N O5 -","- C36 H28 Cl N O5 -","- C144 H112 Cl4 N4 O20 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1639","0.0775","","","0.2097","0.2575","","","","","","1.044","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157239","9.1125","0.0004","12.0056","0.0006","26.1996","0.0012","90","","94.5219","0.0015","90","","2857.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 N O5 -","- C36 H29 N O5 -","- C144 H116 N4 O20 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1101","0.0558","","","0.1139","0.1344","","","","","","1.023","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157240","10.8649","0.0009","12.2568","0.001","27.648","0.002","84.114","0.003","78.954","0.003","86.279","0.003","3590.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Cl N2 O5 -","- C39 H35 Cl N2 O5 -","- C156 H140 Cl4 N8 O20 -","4","2","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.156","0.0755","","","0.1689","0.2002","","","","","","1.025","","","","has coordinates,has disorder","247801","2020-10-21","18:00:00",""
"7157241","11.4828","0.0008","12.9792","0.0008","14.6856","0.001","63.894","0.002","73.231","0.002","72.3116","0.0019","1841.6","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H37 N5 O7 -","- C42 H37 N5 O7 -","- C84 H74 N10 O14 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1074","0.0572","","","0.117","0.1365","","","","","","1.017","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157242","9.9805","0.0009","10.287","0.0009","15.3526","0.0014","72.135","0.003","76.008","0.003","82.784","0.003","1453.5","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H29 N O5 -","- C36 H29 N O5 -","- C72 H58 N2 O10 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1162","0.0628","","","0.1469","0.1721","","","","","","1.034","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157243","14.5005","0.0008","16.8752","0.0011","14.5126","0.001","90","","118.619","0.0017","90","","3117.3","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 Cl N4 O4 -","- C35 H31 Cl N4 O4 -","- C140 H124 Cl4 N16 O16 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1453","0.0637","","","0.1286","0.159","","","","","","1.018","","","","has coordinates,has disorder","247801","2020-10-21","18:00:00",""
"7157244","9.4484","0.0008","9.7843","0.0008","16.51","0.0012","105.221","0.002","92.073","0.003","95.141","0.003","1464","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl N O4 -","- C36 H28 Cl N O4 -","- C72 H56 Cl2 N2 O8 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.1359","0.058","","","0.1101","0.1332","","","","","","1.01","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157245","13.4926","0.0007","9.4573","0.0005","25.3206","0.0014","90","","91.8378","0.0017","90","","3229.3","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Cl N2 O5 -","- C38 H33 Cl N2 O5 -","- C152 H132 Cl4 N8 O20 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.0975","0.0519","","","0.1063","0.1245","","","","","","1.021","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157246","9.594","0.0017","9.7016","0.0017","16.666","0.003","94.12","0.005","105.428","0.005","94.267","0.005","1484.4","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H31 N O5 -","- C37 H31 N O5 -","- C74 H62 N2 O10 -","2","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.2487","0.0839","","","0.1461","0.1767","","","","","","0.936","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157247","9.4889","0.0008","24.389","0.003","13.791","0.0013","90","","97.529","0.003","90","","3164.1","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 N4 O3 -","- C39 H32 N4 O3 -","- C156 H128 N16 O12 -","4","1","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.0994","0.0535","","","0.1153","0.1351","","","","","","1.014","","","","has coordinates","247801","2020-10-21","18:00:00",""
"7157248","15.07","0.0017","11.1664","0.0012","15.3653","0.0017","90","","97.227","0.002","90","","2565.1","0.5","296.15","","296.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Liao, Hui; Zhu, Qiuhua","Water-DMSO-promoted one-pot synthesis of two new series of dihydropyrrolo[2,3-h]quinolines.","Organic & biomolecular chemistry","2020","18","2","215","219","10.1039/c9ob02342a","","","0.71073","MoKα","","0.0982","0.0549","","","0.1493","0.1748","","","","","","1.031","","","","has coordinates","247818","2020-10-21","18:00:00",""
"7157249","7.9585","0.0005","9.424","0.0005","20.5726","0.0013","86.645","0.003","79.638","0.003","84.679","0.003","1509.88","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 B Cl2 F8 N3 P -","- C28 H33 B Cl2 F8 N3 P -","- C56 H66 B2 Cl4 F16 N6 P2 -","2","1","","VanDenburgh, Katherine L.; Liu, Yun; Sadhukhan, Tumpa; Benson, Christopher R.; Cox, Natalie M.; Erbas-Cakmak, Sundus; Qiao, Bo; Gao, Xinfeng; Pink, Maren; Raghavachari, Krishnan; Flood, Amar H.","Multi-state amine sensing by electron transfers in a BODIPY probe.","Organic & biomolecular chemistry","2020","18","3","431","440","10.1039/c9ob02466b","","","0.71073","MoKα","","0.1668","0.0799","","","0.2179","0.2736","","","","","","1.007","","","","has coordinates,has disorder","247832","2020-10-21","18:00:00",""
"7157250","9.914","0.003","12.666","0.005","10.006","0.003","90","","90","","90","","1256.5","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.2005","0.0627","","","0.097","0.1233","","","","","","1.056","","","","has coordinates","247825","2020-10-21","18:00:00",""
"7157251","6.3476","0.0003","13.4188","0.0006","15.2697","0.0007","90","","96.662","0.003","90","","1291.85","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.0794","0.049","","","0.14","0.166","","","","","","0.909","","","","has coordinates","247825","2020-10-21","18:00:00",""
"7157252","21.44","0.008","6.442","0.002","30.004","0.009","90","","132.808","0.018","90","","3040.2","1.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Br F N2 O S -","- C16 H12 Br F N2 O S -","- C128 H96 Br8 F8 N16 O8 S8 -","8","2","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.1137","0.0663","","","0.1844","0.2386","","","","","","0.755","","","","has coordinates","247825","2020-10-21","18:00:00",""
"7157253","12.881","0.003","19.724","0.004","9.3055","0.0019","90","","101.12","0.03","90","","2319.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 S2 -","- C23 H21 N3 O2 S2 -","- C92 H84 N12 O8 S8 -","4","1","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.1951","0.0974","","","0.1191","0.1267","","","","","","1.087","","","","has coordinates,has disorder","247825","2020-10-21","18:00:00",""
"7157254","8.3937","0.0017","9.26","0.0019","13.938","0.003","90.66","0.03","93.39","0.03","95.51","0.03","1076.3","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22.5 Cl0.5 N3 O3 -","- C25 H22 Cl0.5 N3 O3 -","- C50 H44 Cl N6 O6 -","2","1","","Liu, Jialin; Cao, Jilei; Liu, Rongfang; Li, Ruifeng; Qiao, Yan; Zhou, Rong","Condensation of 1,2-dicarbonyl compounds with modified Huisgen zwitterions: synthesis of N-aryl-N-acyl hydrazones.","Organic & biomolecular chemistry","2020","18","3","530","537","10.1039/c9ob02508a","","","0.71073","MoKα","","0.0863","0.0555","","","0.134","0.1474","","","","","","1.058","","","","has coordinates","247826","2020-10-21","18:00:00",""
"7157255","30.064","0.007","9.445","0.002","15.361","0.004","90","","105.189","0.007","90","","4209.5","1.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C176 H240 N16 O32 -","8","1","","Xu, Qingfeng; Li, Bang; Ma, Yujie; Sun, Fei; Gao, Yanan; Ye, Na","K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-HFIP synergistically promoted para-selective sp<sup>3</sup> C-H bond diarylation of glycine esters.","Organic & biomolecular chemistry","2020","18","4","666","670","10.1039/c9ob02489a","","","0.71073","MoKα","","0.0726","0.0568","","","0.1861","0.1978","","","","","","1.474","","","","has coordinates","247808","2020-10-21","18:00:00",""
"7157256","8.6977","0.0004","14.9757","0.0006","10.6125","0.0005","90","","101.554","0.005","90","","1354.31","0.11","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C17H15NO2","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Oshimoto, Kohei; Zhou, Biao; Tsuji, Hiroaki; Kawatsura, Motoi","Synthesis of substituted benzo[b][1,4]oxazepine derivatives by the reaction of 2-aminophenols with alkynones.","Organic & biomolecular chemistry","2020","18","3","415","419","10.1039/c9ob02450f","","x-ray","0.71073","MoKα","","0.0606","0.0454","","","0.104","0.1124","","","","","","1.027","","","","has coordinates","247829","2020-10-21","18:00:00",""
"7157257","10.245","0.0002","10.9607","0.0002","11.1338","0.0007","74.014","0.005","74.695","0.005","72.702","0.005","1124.73","0.09","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H23 N5 O5 -","- C23 H23 N5 O5 -","- C46 H46 N10 O10 -","2","1","","Karahan, Seda; Tanyeli, Cihangir","Bifunctional squaramide catalyzed stereoselective Mannich reaction of α-azido ketones with isatin-derived ketimines.","Organic & biomolecular chemistry","2020","18","3","479","487","10.1039/c9ob02208b","","","0.71075","MoKα","","0.0633","0.0588","","","0.153","0.1599","","","","","","1.0697","","","","has coordinates","276355","2022-06-28","16:55:32",""
"7157258","16.7456","0.0005","16.7456","0.0005","13.5915","0.0009","90","","90","","90","","3811.3","0.3","293","2","293.15","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C22 H19 Cl N O4 -","- C22 H19 Cl N O4 -","- C176 H152 Cl8 N8 O32 -","8","1","","Jiang, Xue-Fei; Tan, Hao; Cui, Hai-Lei","FeCl<sub>3</sub> mediated dimerization of dihydropyrrolo[2,1-a]isoquinolines and chlorination of tetrasubstituted pyrroles.","Organic & biomolecular chemistry","2020","18","4","660","665","10.1039/c9ob02607j","","x-ray","1.54184","CuKα","","0.0762","0.0433","","","0.0878","0.1038","","","","","","0.994","","","","has coordinates","247809","2020-10-21","18:00:00",""
"7157259","6.8732","0.0003","16.6383","0.0007","16.3749","0.0007","90","","91.708","0.001","90","","1871.77","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","","Kruschel, Ryan D.; Buzid, Alyah; Khandavilli, Udaya B Rao; Lawrence, Simon E.; Glennon, Jeremy D.; McCarthy, Florence O.","Isoquinolinequinone N-oxides as anticancer agents effective against drug resistant cell lines.","Organic & biomolecular chemistry","2020","18","3","557","568","10.1039/c9ob02441g","","","0.71073","MoKα","","0.0558","0.0421","","","0.1127","0.1241","","","","","","1.036","","","","has coordinates","247831","2020-10-21","18:00:00",""
"7157260","7.185","0.0014","10","0.002","15.059","0.003","90","","90","","90","","1082","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 K O9 S -","- C6 H12.697 K O9 S -","- C24 H50.788 K4 O36 S4 -","4","1","","Zhang, Yunyang; Mui, Janice W.-Y.; Arumaperuma, Thimali; Lingford, James P.; Goddard-Borger, Ethan D; White, Jonathan M.; Williams, Spencer J.","Concise synthesis of sulfoquinovose and sulfoquinovosyl diacylglycerides, and development of a fluorogenic substrate for sulfoquinovosidases.","Organic & biomolecular chemistry","2020","18","4","675","686","10.1039/c9ob02540e","","","0.710757","Synchrotron","","0.1384","0.0746","","","0.1829","0.2177","","","","","","1.038","","","","has coordinates,has disorder","247807","2020-10-21","18:00:00",""
"7157261","6.936","0.0014","15.065","0.003","9.817","0.002","90","","90.38","0.03","90","","1025.8","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H13 Na O9 S -","- C6 H12.3295 Na O9 S -","- C24 H49.318 Na4 O36 S4 -","4","2","","Zhang, Yunyang; Mui, Janice W.-Y.; Arumaperuma, Thimali; Lingford, James P.; Goddard-Borger, Ethan D; White, Jonathan M.; Williams, Spencer J.","Concise synthesis of sulfoquinovose and sulfoquinovosyl diacylglycerides, and development of a fluorogenic substrate for sulfoquinovosidases.","Organic & biomolecular chemistry","2020","18","4","675","686","10.1039/c9ob02540e","","","0.799895","Synchrotron","","0.0739","0.0713","","","0.1696","0.1718","","","","","","1.069","","","","has coordinates,has disorder","247807","2020-10-21","18:00:00",""
"7157262","5.7496","0.0011","11.342","0.002","12.287","0.003","92.62","0.03","95.69","0.03","94.25","0.03","794","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N O4 S -","- C17 H17 N O4 S -","- C34 H34 N2 O8 S2 -","2","1","","Yang, Shichao; Li, Hongji; Li, Pinhua; Yang, Jingya; Wang, Lei","Room temperature iron(ii)-catalyzed radical cyclization of unsaturated oximes with hypervalent iodine reagents.","Organic & biomolecular chemistry","2020","18","4","715","724","10.1039/c9ob02424g","","","0.71073","MoKα","","0.0647","0.0466","","","0.1114","0.1222","","","","","","1.034","","","","has coordinates","247814","2020-10-21","18:00:00",""
"7157263","7.471","0.013","8.149","0.014","13.09","0.02","91.378","0.019","105.627","0.019","115.663","0.017","683","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F2 N2 O -","- C16 H12 F2 N2 O -","- C32 H24 F4 N4 O2 -","2","1","","Xie, Xiaojuan; Zhang, Yifang; Hao, Jian; Wan, Wen","Ag-Catalyzed minisci C-H difluoromethylarylation of N-heteroarenes.","Organic & biomolecular chemistry","2020","18","3","400","404","10.1039/c9ob02586c","","","0.71073","MoKα","","0.0473","0.0375","","","0.1004","0.109","","","","","","1.059","","","","has coordinates","247828","2020-10-21","18:00:00",""
"7157264","7.5028","0.001","10.3065","0.001","17.339","0.002","90","","93.209","0.011","90","","1338.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","","Bhattacherjee, Dhananjay; Shaifali, ?; Kumar, Ajay; Sharma, Ajay; Purohit, Rituraj; Das, Pralay","Iodine(iii) promoted ring-rearrangement reaction of 1-arylamino-2-oxocyclopentane-1-carbonitriles to synthesize N-aryl-δ-valerolactams.","Organic & biomolecular chemistry","2020","18","4","745","749","10.1039/c9ob02598g","","x-ray","1.54184","CuKα","","0.1436","0.0934","","","0.2885","0.4097","","","","","","1.639","","","","has coordinates","247805","2020-10-21","18:00:00",""
"7157265","7.7797","0.0003","13.9645","0.0007","21.3823","0.001","90","","90","","90","","2322.96","0.18","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 O4 -","- C28 H36 O4 -","- C112 H144 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0402","0.0367","","","0.0913","0.0941","","","","","","1.046","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157266","11.3526","0.0007","7.2237","0.0003","19.7666","0.0012","90","","104.982","0.006","90","","1565.91","0.16","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H48 O4 -","- C34 H48 O4 -","- C68 H96 O8 -","2","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0513","0.0417","","","0.0957","0.1028","","","","","","1.038","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157267","21.7423","0.0015","7.1223","0.0005","19.5816","0.0014","90","","101.416","0.007","90","","2972.3","0.4","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H48 O4 -","- C34 H48 O4 -","- C136 H192 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0746","0.0556","","","0.1165","0.138","","","","","","1.098","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157268","8.4637","0.0004","7.4511","0.0003","47.1253","0.0017","90","","90.048","0.004","90","","2971.9","0.2","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O2 -","- C34 H52 O2 -","- C136 H208 O8 -","4","2","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0675","0.0492","","","0.1042","0.1143","","","","","","1.053","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157269","13.1096","0.0016","6.5478","0.0007","34.244","0.004","90","","95.486","0.011","90","","2926","0.6","130","2","130","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H47 O4 -","- C34 H47 O4 -","- C136 H188 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0741","0.0539","","","0.1275","0.1398","","","","","","1.045","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157270","7.4753","0.0005","8.3777","0.0007","23.7615","0.0017","90","","97.224","0.006","90","","1476.27","0.19","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O2 -","- C34 H52 O2 -","- C68 H104 O4 -","2","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0736","0.0527","","","0.1152","0.1417","","","","","","1.057","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157271","11.0864","0.0019","12.741","0.002","12.895","0.002","87.097","0.004","76.513","0.004","70.713","0.003","1671.1","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 B F2 N5 O -","- C38 H40 B F2 N5 O -","- C76 H80 B2 F4 N10 O2 -","2","1","","Zhang, Yuandong; Zheng, Xiaohua; Zhang, Liping; Yang, Zhiyu; Chen, Li; Wang, Lei; Liu, Shi; Xie, Zhigang","Red fluorescent pyrazoline-BODIPY nanoparticles for ultrafast and long-term bioimaging.","Organic & biomolecular chemistry","2020","18","4","707","714","10.1039/c9ob02373a","","","0.71073","MoKα","","0.1335","0.0697","","","0.197","0.2496","","","","","","0.972","","","","has coordinates","247806","2020-10-21","18:00:00",""
"7157272","11.6688","0.0003","10.6008","0.0003","31.1741","0.0009","90","","100.107","0.003","90","","3796.35","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N3 O2 S -","- C18 H23 N3 O2 S -","- C144 H184 N24 O16 S8 -","8","2","","Cao, Ming; Teng, Qing-Hu; Xi, Zhi-Wei; Liu, Li-Qiu; Gu, Ren-Yong; Wang, Ying-Chun","Facile synthesis of 2-alkynyl oxazoles via a Ce(OTf)<sub>3</sub>-catalyzed cascade reaction of alkynyl carboxylic acids with tert-butyl isocyanide.","Organic & biomolecular chemistry","2020","18","4","655","659","10.1039/c9ob02337b","","x-ray","1.54184","CuKα","","0.0638","0.0564","","","0.1439","0.1515","","","","","","1.038","","","","has coordinates,has disorder","247811","2020-10-21","18:00:00",""
"7157273","19.232","0.0003","11.92476","0.00017","23.5435","0.0004","90","","90","","90","","5399.4","0.15","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H38 N6 O2 -","- C27 H38 N6 O2 -","- C216 H304 N48 O16 -","8","1","","Cao, Ming; Teng, Qing-Hu; Xi, Zhi-Wei; Liu, Li-Qiu; Gu, Ren-Yong; Wang, Ying-Chun","Facile synthesis of 2-alkynyl oxazoles via a Ce(OTf)<sub>3</sub>-catalyzed cascade reaction of alkynyl carboxylic acids with tert-butyl isocyanide.","Organic & biomolecular chemistry","2020","18","4","655","659","10.1039/c9ob02337b","","x-ray","1.54184","CuKα","","0.054","0.0435","","","0.1067","0.1146","","","","","","1.037","","","","has coordinates","247811","2020-10-21","18:00:00",""
"7157274","8.0852","0.0007","7.8019","0.0006","21.7718","0.0019","90","","97.796","0.003","90","","1360.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","EIT_DB_004_01","","","- C16 H11 F N2 O2 -","- C16 H11 F N2 O2 -","- C64 H44 F4 N8 O8 -","4","1","","Eitzinger, Andreas; Brière, Jean-François; Cahard, Dominique; Waser, Mario","Enantioselective catalytic synthesis of α-aryl-α-SCF<sub>3</sub>-β<sup>2,2</sup>-amino acids.","Organic & biomolecular chemistry","2020","18","3","405","408","10.1039/c9ob02666e","","","0.71073","MoKα","","0.0523","0.0417","","","0.0993","0.1099","","","","","","1.068","","","","has coordinates","247827","2020-10-21","18:00:00",""
"7157275","5.5128","0.0006","14.1945","0.0018","20.649","0.003","90","","90","","90","","1615.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Zhou, Hui; Wang, Rui; Zhang, Hui; Chen, Wei; Lu, Xiao-Bing","Access to 1,3-oxazine-2,4-diones/1,3-thiazine-2,4-diones via organocatalytic CO<sub>2</sub>/COS incorporation into allenamides.","Organic & biomolecular chemistry","2020","18","5","905","911","10.1039/c9ob02398d","","","0.71073","MoKα","","0.1723","0.0643","","","0.1311","0.1734","","","","","","0.964","","","","has coordinates","249033","2020-10-21","18:00:00",""
"7157276","10.31491","0.00015","22.9483","0.0003","13.02398","0.00018","90","","101.4","0.0014","90","","3022.08","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 F N2 O6 -","- C32 H33 F N2 O6 -","- C128 H132 F4 N8 O24 -","4","1","","Han, Ruiping; Ding, Yue; Jin, Xueke; Li, Er-Qing","Silver/palladium relay catalyzed 1,3-dipole annulation/allylation reactions to access fully substituted allyl imidazolidines.","Organic & biomolecular chemistry","2020","18","4","646","649","10.1039/c9ob02633a","","x-ray","1.54184","CuKα","","0.0676","0.0503","","","0.1388","0.1541","","","","","","1.045","","","","has coordinates","247812","2020-10-21","18:00:00",""
"7157277","13.9043","0.0005","10.8551","0.0004","20.2244","0.0007","90","","90","","90","","3052.52","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C152 H104 N8 O40 -","8","1","","Lei, Chuan-Wen; Zhang, Chuan-Bao; Wang, Zhen-Hua; Xie, Ke-Xin; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Coumarin-3-formylpyrazoles as 3-carbon synthons in cyclocondensation for the synthesis of spiro-fused pentacyclic spirooxindoles.","Organic & biomolecular chemistry","2020","18","5","845","850","10.1039/c9ob02434d","","x-ray","1.54184","CuKα","","0.0543","0.0446","","","0.1149","0.1253","","","","","","1.028","","","","has coordinates","249031","2020-10-21","18:00:00",""
"7157278","12.7729","0.0017","16.694","0.002","14.8793","0.0019","90","","104.131","0.003","90","","3076.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N3 O6 S -","- C27 H31 N3 O6 S -","- C108 H124 N12 O24 S4 -","4","1","","Chen, Mintao; Zang, Wenqing; Wei, Yin; Shi, Min","A highly efficient method for the construction of cyclopropane-containing dihydroindole derivatives from indolemethylenecyclopropanes with DIAD and DEAD.","Organic & biomolecular chemistry","2020","18","2","333","336","10.1039/c9ob02520k","","","0.71073","MoKα","","0.0728","0.0506","","","0.1322","0.1441","","","","","","1.018","","","","has coordinates,has disorder","247819","2020-10-21","18:00:00",""
"7157279","10.0889","0.0002","23.6964","0.0006","11.1762","0.0003","90","","91.175","0.001","90","","2671.34","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 N3 O6 S -","- C26 H29 N3 O6 S -","- C104 H116 N12 O24 S4 -","4","1","","Chen, Mintao; Zang, Wenqing; Wei, Yin; Shi, Min","A highly efficient method for the construction of cyclopropane-containing dihydroindole derivatives from indolemethylenecyclopropanes with DIAD and DEAD.","Organic & biomolecular chemistry","2020","18","2","333","336","10.1039/c9ob02520k","","","0.71073","MoKα","","0.0788","0.0588","","","0.1505","0.1683","","","","","","1.038","","","","has coordinates","247819","2020-10-21","18:00:00",""
"7157280","9.037","0.002","11.821","0.003","17.193","0.004","83.149","0.003","77.073","0.002","69.039","0.003","1670.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 N4 O2 -","- C38 H52 N4 O2 -","- C76 H104 N8 O4 -","2","1","","Mishra, Santosh Kumar; Dehuri, Suryakanta; Bag, Bamaprasad","Effect of n-alkyl substitution on Cu(ii)-selective chemosensing of rhodamine B derivatives.","Organic & biomolecular chemistry","2020","18","2","316","332","10.1039/c9ob02439e","","","0.71073","MoKα","","0.1173","0.0783","","","0.2595","0.3108","","","","","","1.066","","","","has coordinates","247817","2020-10-21","18:00:00",""
"7157281","13.492","0.002","22.47","0.002","14.213","0.001","90","","99.15","0.01","90","","4254.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H128 Cl2 Cu N8 O12 -","- C88 H128 Cl2 Cu N8 O12 -","- C176 H256 Cl4 Cu2 N16 O24 -","2","0.5","","Mishra, Santosh Kumar; Dehuri, Suryakanta; Bag, Bamaprasad","Effect of n-alkyl substitution on Cu(ii)-selective chemosensing of rhodamine B derivatives.","Organic & biomolecular chemistry","2020","18","2","316","332","10.1039/c9ob02439e","","","0.71073","MoKα","","0.0888","0.0671","","","0.1766","0.1918","","","","","","1.018","","","","has coordinates","247817","2020-10-21","18:00:00",""
"7157282","18.2004","0.0005","12.6594","0.0002","19.4388","0.0005","90","","121.245","0.003","90","","3829.2","0.2","180","2","180.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 F12 N2 O8 S2 -","- C32 H34 F12 N2 O8 S2 -","- C128 H136 F48 N8 O32 S8 -","4","0.5","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.063","0.0584","","","0.1835","0.1915","","","","","","1.053","","","","has coordinates,has disorder","247815","2020-10-21","18:00:00",""
"7157283","8.68201","0.00013","18.7358","0.0003","25.4056","0.0004","90","","97.5197","0.0014","90","","4097.05","0.11","180","2","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 F12 N2 O8 S2 -","- C36 H42 F11.9997 N2 O8 S2 -","- C144 H168 F47.9988 N8 O32 S8 -","4","1","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.086","0.0757","","","0.2015","0.2133","","","","","","1.056","","","","has coordinates,has disorder","247815","2020-10-21","18:00:00",""
"7157284","9.6208","0.0002","17.3037","0.0004","25.0189","0.0004","90","","94.432","0.002","90","","4152.58","0.15","180","2","180.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 F12 N2 O10 S2 -","- C36 H38 F12 N2 O10 S2 -","- C144 H152 F48 N8 O40 S8 -","4","1","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.1096","0.0883","","","0.2357","0.2567","","","","","","1.073","","","","has coordinates,has disorder","247815","2020-10-21","18:00:00",""
"7157285","9.8217","0.0005","10.9991","0.0007","18.8342","0.0012","83.763","0.005","77.823","0.005","73.022","0.005","1899.8","0.2","180","2","180.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 F12 N2 O8 S2 -","- C32 H34 F12 N2 O8 S2 -","- C64 H68 F24 N4 O16 S4 -","2","1","","Brun, Elodie; Zhang, Ke-Feng; Guénée, Laure; Lacour, Jérôme","Photo-induced thiol-ene reactions for late-stage functionalization of unsaturated polyether macrocycles: regio and diastereoselective access to macrocyclic dithiol derivatives.","Organic & biomolecular chemistry","2020","18","2","250","254","10.1039/c9ob02375e","","x-ray","1.54184","CuKα","","0.0745","0.059","","","0.1536","0.1696","","","","","","1.054","","","","has coordinates,has disorder","247815","2020-10-21","18:00:00",""
"7157286","10.295","0.0015","15.616","0.002","14.892","0.002","90","","108.857","0.004","90","","2265.6","0.5","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Br N O2 S -","- C28 H20 Br N O2 S -","- C112 H80 Br4 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0447","0.0339","","","0.086","0.0914","","","","","","1.031","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157287","10.4998","0.0008","13.3726","0.0011","15.4288","0.0012","79.55","0.002","70.858","0.002","76.176","0.002","1974.7","0.3","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Cl N O3 S -","- C23 H18 Cl N O3 S -","- C92 H72 Cl4 N4 O12 S4 -","4","2","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.039","0.0339","","","0.0847","0.0882","","","","","","1.033","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157288","5.2987","0.0011","12.768","0.003","14.845","0.003","88.429","0.005","82.358","0.006","86.33","0.006","993.2","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Cl N O2 S -","- C23 H18 Cl N O2 S -","- C46 H36 Cl2 N2 O4 S2 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0629","0.0439","","","0.1","0.1102","","","","","","1.026","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157289","9.6174","0.0007","10.1886","0.0007","11.7888","0.0009","95.003","0.002","107.482","0.002","111.455","0.002","999.86","0.13","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cl N O -","- C28 H18 Cl N O -","- C56 H36 Cl2 N2 O2 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0401","0.033","","","0.081","0.0864","","","","","","1.031","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157290","16.3487","0.0018","9.1325","0.001","16.747","0.002","90","","106.046","0.003","90","","2403","0.5","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl N O2 S -","- C29 H22 Cl N O2 S -","- C116 H88 Cl4 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0396","0.0337","","","0.0853","0.0905","","","","","","1.032","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157291","10.2889","0.0009","15.5258","0.0012","14.8833","0.0012","90","","108.961","0.002","90","","2248.5","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl N O2 S -","- C28 H20 Cl N O2 S -","- C112 H80 Cl4 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0469","0.035","","","0.0819","0.0899","","","","","","1.06","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157292","10.1684","0.0006","15.8049","0.001","15.003","0.0012","90","","109.404","0.002","90","","2274.2","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O2 S -","- C29 H23 N O2 S -","- C116 H92 N4 O8 S4 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung","p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.","Organic & biomolecular chemistry","2020","18","2","305","315","10.1039/c9ob02445j","","","0.71073","MoKα","","0.0448","0.0361","","","0.0869","0.0937","","","","","","1.024","","","","has coordinates","247824","2020-10-21","18:00:00",""
"7157293","7.14999","0.00013","12.6963","0.0002","20.1516","0.0004","90","","90","","90","","1829.33","0.06","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C80 H104 O12 S4 -","4","1","","Hosokawa, Seijiro; Nakanishi, Keisuke; Udagawa, Yutaro; Maeda, Mitsutoshi; Sato, Seiya; Nakano, Keiji; Masuda, Toshiya; Ichikawa, Yoshiyasu","Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products.","Organic & biomolecular chemistry","2020","18","4","687","693","10.1039/c9ob02249j","","","1.54187","CuKα","","0.0371","0.0369","","","0.0965","0.0967","","","","","","1.015","","","","has coordinates","247810","2020-10-21","18:00:00",""
"7157294","8.009","0.0004","8.009","0.0004","49.0398","0.0013","90","","90","","120","","2724.2","0.2","296","","296","","","","","","","","","4","P 61","P 61","169","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C120 H156 O18 S6 -","6","1","","Hosokawa, Seijiro; Nakanishi, Keisuke; Udagawa, Yutaro; Maeda, Mitsutoshi; Sato, Seiya; Nakano, Keiji; Masuda, Toshiya; Ichikawa, Yoshiyasu","Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products.","Organic & biomolecular chemistry","2020","18","4","687","693","10.1039/c9ob02249j","","","1.54187","CuKα","","0.0358","0.0357","","","0.0902","0.0903","","","","","","1.176","","","","has coordinates","247810","2020-10-21","18:00:00",""
"7157295","9.0717","0.0001","15.9713","0.0002","9.9969","0.0001","90","","99.008","0.001","90","","1430.56","0.03","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Wen, Li-Rong; Ren, Guang-Yi; Geng, Rui-Sen; Zhang, Lin-Bao; Li, Ming","Fast construction of isoquinolin-1(2H)-ones by direct intramolecular C-H/N-H functionalization under metal-free conditions.","Organic & biomolecular chemistry","2020","18","2","225","229","10.1039/c9ob02430a","","x-ray","1.54184","CuKα","","0.0495","0.0472","","","0.1171","0.119","","","","","","1.039","","","","has coordinates","247820","2020-10-21","18:00:00",""
"7157296","10.2856","0.0005","13.4694","0.0006","11.2174","0.0005","90","","90.662","0.004","90","","1553.96","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Chen, Weiqiang; Li, Hui-Jing; Li, Qin-Ying; Wu, Yan-Chao","Direct oxidative coupling of N-acyl pyrroles with alkenes by ruthenium(ii)-catalyzed regioselective C2-alkenylation.","Organic & biomolecular chemistry","2020","18","3","500","513","10.1039/c9ob02421b","","x-ray","1.54184","CuKα","","0.0478","0.0393","","","0.1066","0.117","","","","","","1.02","","","","has coordinates","247833","2020-10-21","18:00:00",""
"7157297","18.5372","0.0006","18.5372","0.0006","10.495","0.0004","90","","90","","90","","3606.4","0.2","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C18 H18 Br N O4 S -","- C18 H18 Br N O4 S -","- C144 H144 Br8 N8 O32 S8 -","8","1","","Das, Jonali; Borah, Biraj Jyoti; Das, Sajal Kumar","Base-mediated intramolecular one-pot double-cyclization of epoxide-tethered 2-fluorobenzenesulfonamides: an avenue to 1,4-benzoxazine-fused benzothiaoxazepine-1,1-dioxides.","Organic & biomolecular chemistry","2020","18","2","220","224","10.1039/c9ob02377a","","","0.71073","MoKα","","0.0432","0.0292","","","0.0558","0.061","","","","","","1.034","","","","has coordinates","247822","2020-10-21","18:00:00",""
"7157298","10.3896","0.0008","10.1601","0.0012","17.175","0.003","90","","102.57","0.008","90","","1769.5","0.4","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,5-dimethyl-12-phenylindolo[2,1-a]isoquinolin-6(5H)-one","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Gao, Xiaoshuang; Li, Chengyang; Yuan, Yao; Xie, Xiaomin; Zhang, Zhaoguo","Visible-light-induced intramolecular radical cascade of α-bromo-N-benzyl-alkylamides: a new strategy to synthesize tetracyclic N-fused indolo[2,1-a]isoquinolin-6(5H)-ones.","Organic & biomolecular chemistry","2020","18","2","263","271","10.1039/c9ob02294e","","","1.54178","CuKα","","0.0502","0.0439","","","0.1152","0.1209","","","","","","1.053","","","","has coordinates","247816","2020-10-21","18:00:00",""
"7157299","10.2533","0.0009","29.303","0.002","10.6278","0.001","90","","116.562","0.002","90","","2856.1","0.4","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 Br2 Cl N2 O2 S -","- C31 H25 Br2 Cl N2 O2 S -","- C124 H100 Br8 Cl4 N8 O8 S4 -","4","1","","Wani, Imtiyaz Ahmad; Goswami, Gaurav; Sk, Sahid; Mal, Abhijit; Sayyad, Masthanvali; Ghorai, Manas K.","A synthetic route to 1,4-disubstituted tetrahydro-β-carbolines and tetrahydropyranoindoles via ring-opening/Pictet-Spengler reaction of aziridines and epoxides with indoles/aldehydes.","Organic & biomolecular chemistry","2020","18","2","272","287","10.1039/c9ob02098e","","","0.71073","MoKα","","0.0864","0.0503","","","0.0925","0.1032","","","","","","1.013","","","","has coordinates","247823","2020-10-21","18:00:00",""
"7157300","7.571","0.003","13.464","0.004","20.373","0.007","90","","99.227","0.01","90","","2049.9","1.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Br2 N O -","- C24 H19 Br2 N O -","- C96 H76 Br8 N4 O4 -","4","1","","Wani, Imtiyaz Ahmad; Goswami, Gaurav; Sk, Sahid; Mal, Abhijit; Sayyad, Masthanvali; Ghorai, Manas K.","A synthetic route to 1,4-disubstituted tetrahydro-β-carbolines and tetrahydropyranoindoles via ring-opening/Pictet-Spengler reaction of aziridines and epoxides with indoles/aldehydes.","Organic & biomolecular chemistry","2020","18","2","272","287","10.1039/c9ob02098e","","","0.71073","MoKα","","0.1459","0.0805","","","0.1836","0.2111","","","","","","1.052","","","","has coordinates","247823","2020-10-21","18:00:00",""
"7157301","10.5551","0.0008","10.5551","0.0008","18.9321","0.0014","90","","90","","90","","2109.2","0.3","296","2","296","2","","","","","","","","4","P 43","P 4cw","78","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Di Silvio, Sergio; Bologna, Fabio; Milli, Lorenzo; Giuri, Demetra; Zanna, Nicola; Castellucci, Nicola; Monari, Magda; Calvaresi, Matteo; Górecki, Marcin; Angelici, Gaetano; Tomasini, Claudia; Pescitelli, Gennaro","Elusive π-helical peptide foldamers spotted by chiroptical studies.","Organic & biomolecular chemistry","2020","18","5","865","877","10.1039/c9ob02313e","","","0.71073","MoKα","","0.0914","0.0654","","","0.1686","0.1841","","","","","","1.034","","","","has coordinates","249029","2020-10-21","18:00:00",""
"7157302","18.3138","0.001","10.0679","0.0006","11.1281","0.0006","90","","102.629","0.002","90","","2002.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Di Silvio, Sergio; Bologna, Fabio; Milli, Lorenzo; Giuri, Demetra; Zanna, Nicola; Castellucci, Nicola; Monari, Magda; Calvaresi, Matteo; Górecki, Marcin; Angelici, Gaetano; Tomasini, Claudia; Pescitelli, Gennaro","Elusive π-helical peptide foldamers spotted by chiroptical studies.","Organic & biomolecular chemistry","2020","18","5","865","877","10.1039/c9ob02313e","","","0.71073","MoKα","","0.1058","0.0674","","","0.1498","0.166","","","","","","1.085","","","","has coordinates","249029","2020-10-21","18:00:00",""
"7157303","11.6501","0.0004","10.813","0.0003","16.4196","0.0005","90","","106.886","0.004","90","","1979.24","0.11","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 -","- C25 H21 N3 -","- C100 H84 N12 -","4","1","","Ramanathan, Mani; Wan, Jing; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Synthesis of 2-arylamino-3-cyanoquinolines via a cascade reaction through a nitrilium intermediate.","Organic & biomolecular chemistry","2020","18","5","975","982","10.1039/c9ob02427a","","","0.71073","MoKα","","0.0825","0.0599","","","0.1657","0.1887","","","","","","1.003","","","","has coordinates","249028","2020-10-21","18:00:00",""
"7157304","20.3966","0.0005","5.584","0.0001","17.313","0.0004","90","","108.569","0.001","90","","1869.2","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O7 -","- C20 H21 N O7 -","- C80 H84 N4 O28 -","4","1","","Liu, Shitao; Li, Jisen; Lin, Junjie; Liu, Fujun; Liu, Teng; Huang, Chao","Substituent-controlled chemoselective synthesis of multi-substituted pyridones via a one-pot three-component cascade reaction.","Organic & biomolecular chemistry","2020","18","6","1130","1134","10.1039/c9ob02456e","","","1.54178","CuKα","","0.0525","0.0429","","","0.1048","0.1122","","","","","","1.053","","","","has coordinates","249038","2020-10-21","18:00:00",""
"7157305","7.7487","0.0017","8.3925","0.0019","21.639","0.005","90","","90","","90","","1407.2","0.6","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H8 I2 N2 -","- C14 H8 I2 N2 -","- C56 H32 I8 N8 -","4","1","","Saha, Moumita; Das, Asish R.","Hypervalent iodine promoted ortho diversification: 2-aryl benzimidazole, quinazoline and imidazopyridine as directing templates.","Organic & biomolecular chemistry","2020","18","5","941","955","10.1039/c9ob02533b","","","0.71073","MoKα","","0.02","0.0188","","","0.0426","0.0429","","","","","","1.143","","","","has coordinates","249030","2020-10-21","18:00:00",""
"7157306","7.7529","0.0006","7.7548","0.0006","23.621","0.002","92.139","0.005","91.463","0.005","118.775","0.003","1242.38","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N3 O2 -","- C13 H8 Cl N3 O2 -","- C52 H32 Cl4 N12 O8 -","4","2","","Saha, Moumita; Das, Asish R.","Hypervalent iodine promoted ortho diversification: 2-aryl benzimidazole, quinazoline and imidazopyridine as directing templates.","Organic & biomolecular chemistry","2020","18","5","941","955","10.1039/c9ob02533b","","","0.71073","MoKα","","0.0611","0.0386","","","0.0988","0.1099","","","","","","2.079","","","","has coordinates","249030","2020-10-21","18:00:00",""
"7157307","11.3336","0.0002","16.1275","0.0003","18.2549","0.0003","90","","90","","90","","3336.68","0.1","299.99","0.1","299.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 O7 -","- C35 H48 O7 -","- C140 H192 O28 -","4","1","","Hou, Ji-Qin; Yu, Jiang-Hong; Zhao, Heng; Dong, Ying-Ying; Peng, Qiu-Shi; Zhang, Bao-Bao; Wang, Hao","Biomimetic total syntheses of baefrutones A-D, baeckenon B, and frutescones A, D-F.","Organic & biomolecular chemistry","2020","18","6","1135","1139","10.1039/c9ob02490e","","x-ray","1.54184","CuKα","","0.0551","0.0462","","","0.1338","0.1448","","","","","","1.057","","","","has coordinates","249035","2020-10-21","18:00:00",""
"7157308","8.8523","0.0004","10.231","0.0005","14.4737","0.0006","79.614","0.002","82.176","0.002","76.804","0.002","1249.14","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N2 O6 S -","- C27 H26 N2 O6 S -","- C54 H52 N4 O12 S2 -","2","1","","Yuan, Chunhao; Zhang, Hui; Yuan, Mengna; Xie, Lei; Cao, Xiaoqun","Synthesis of 1,4-diazepinone derivatives via a domino aza-Michael/S<sub>N</sub>2 cyclization of 1-azadienes with α-halogenoacetamides.","Organic & biomolecular chemistry","2020","18","6","1082","1086","10.1039/c9ob02626f","","","0.71073","MoKα","","0.0565","0.0428","","","0.1053","0.1158","","","","","","1.021","","","","has coordinates","249040","2020-10-21","18:00:00",""
"7157309","10.1845","0.0006","12.6592","0.0008","12.8148","0.0008","62.147","0.002","77.425","0.002","70.019","0.002","1369.49","0.15","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 Br N2 O6 S -","- C28 H29 Br N2 O6 S -","- C56 H58 Br2 N4 O12 S2 -","2","1","","Yuan, Chunhao; Zhang, Hui; Yuan, Mengna; Xie, Lei; Cao, Xiaoqun","Synthesis of 1,4-diazepinone derivatives via a domino aza-Michael/S<sub>N</sub>2 cyclization of 1-azadienes with α-halogenoacetamides.","Organic & biomolecular chemistry","2020","18","6","1082","1086","10.1039/c9ob02626f","","","1.34139","GaKα","","0.0513","0.0467","","","0.1144","0.1165","","","","","","1.16","","","","has coordinates,has disorder","249040","2020-10-21","18:00:00",""
"7157310","8.917","0.0009","10.2917","0.0009","11.1275","0.0008","73.236","0.005","67.643","0.005","65.564","0.006","849.34","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Br N O2 -","- C21 H16 Br N O2 -","- C42 H32 Br2 N2 O4 -","2","1","","Kavala, Veerababurao; Wang, Chen-Yu; Wang, Cheng-Chuan; Patil, Prakash Bhimrao; Fang, ChiaChi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-catalysed synthesis of 3-hydroxyisoindolin-1-ones from benzylcyanide 2-iodobenzamides.","Organic & biomolecular chemistry","2020","18","5","988","998","10.1039/c9ob02329a","","","0.71073","MoKα","","0.0466","0.0345","","","0.0986","0.1128","","","","","","1.113","","","","has coordinates","249027","2020-10-21","18:00:00",""
"7157311","25.659","0.003","8.057","0.0007","18.4834","0.0017","90","","114.978","0.004","90","","3463.8","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 Br Cl N O2 -","- C20 H13 Br Cl N O2 -","- C160 H104 Br8 Cl8 N8 O16 -","8","1","","Kavala, Veerababurao; Wang, Chen-Yu; Wang, Cheng-Chuan; Patil, Prakash Bhimrao; Fang, ChiaChi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-catalysed synthesis of 3-hydroxyisoindolin-1-ones from benzylcyanide 2-iodobenzamides.","Organic & biomolecular chemistry","2020","18","5","988","998","10.1039/c9ob02329a","","","0.71073","MoKα","","0.065","0.0409","","","0.0874","0.0965","","","","","","1.052","","","","has coordinates","249027","2020-10-21","18:00:00",""
"7157312","9.7191","0.0017","10.2939","0.0019","10.63","0.002","61.607","0.006","63.029","0.005","87.604","0.006","813.1","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C42 H34 N2 O4 -","2","1","","Kavala, Veerababurao; Wang, Chen-Yu; Wang, Cheng-Chuan; Patil, Prakash Bhimrao; Fang, ChiaChi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-catalysed synthesis of 3-hydroxyisoindolin-1-ones from benzylcyanide 2-iodobenzamides.","Organic & biomolecular chemistry","2020","18","5","988","998","10.1039/c9ob02329a","","","0.71073","MoKα","","0.0879","0.05","","","0.1208","0.1546","","","","","","1.067","","","","has coordinates","249027","2020-10-21","18:00:00",""
"7157313","14.0204","0.001","7.9073","0.0005","22.6326","0.0016","90","","103.22","0.007","90","","2442.6","0.3","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H4 F8 N2 O -","- C12 H4 F8 N2 O -","- C96 H32 F64 N16 O8 -","8","1","","Liao, Chunshu; Li, Jianrong; Chen, Xiaoqiong; Lu, Jingjun; Liu, Qiang; Chen, Lu; Huang, Yubing; Li, Yibiao","Selective synthesis of pyridyl pyridones and oxydipyridines by transition-metal-free hydroxylation and arylation of 2-fluoropyridine derivatives.","Organic & biomolecular chemistry","2020","18","6","1185","1193","10.1039/c9ob02661d","","x-ray","0.71073","MoKα","","0.0443","0.036","","","0.0855","0.0912","","","","","","1.041","","","","has coordinates","249039","2020-10-21","18:00:00",""
"7157314","10.9802","0.0018","11.6601","0.0011","10.2792","0.0018","90","","114.43","0.02","90","","1198.2","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 F6 N2 O -","- C12 H6 F6 N2 O -","- C48 H24 F24 N8 O4 -","4","0.5","","Liao, Chunshu; Li, Jianrong; Chen, Xiaoqiong; Lu, Jingjun; Liu, Qiang; Chen, Lu; Huang, Yubing; Li, Yibiao","Selective synthesis of pyridyl pyridones and oxydipyridines by transition-metal-free hydroxylation and arylation of 2-fluoropyridine derivatives.","Organic & biomolecular chemistry","2020","18","6","1185","1193","10.1039/c9ob02661d","","x-ray","0.71073","MoKα","","0.0459","0.0402","","","0.1021","0.1073","","","","","","1.017","","","","has coordinates","249039","2020-10-21","18:00:00",""
"7157315","18.4757","0.0012","9.7925","0.0005","18.6956","0.0013","90","","90","","90","","3382.5","0.4","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","4-IODO-1-(4-METHOXYPHENYL)-2-(4-NITROPHENYL)-1H-PYRROLE-3-CARBADEHYDE","","- C17 H10 Cl I N2 O3 S0 -","- C17 H10 Cl I N2 O3 -","- C136 H80 Cl8 I8 N16 O24 -","8","2","","Choudhary, Sachin; Yadav, Jyothi; Mamta, ?; Pawar, Amol Prakash; Vanaparthi, Satheeshvarma; Mir, Nisar A.; Iype, Eldhose; Sharma, Ratika; Kant, Rajni; Kumar, Indresh","Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions.","Organic & biomolecular chemistry","2020","18","6","1155","1164","10.1039/c9ob02501d","","","0.71073","MoKα","","0.0804","0.0452","","","0.0987","0.1215","","","","","","1.029","","","","has coordinates","249036","2020-10-21","18:00:00",""
"7157316","6.6656","0.0007","19.4376","0.0015","13.2403","0.0013","90","","104.291","0.011","90","","1662.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Cl2 I N O -","- C17 H10 Cl2 I N O -","- C68 H40 Cl8 I4 N4 O4 -","4","1","","Choudhary, Sachin; Yadav, Jyothi; Mamta, ?; Pawar, Amol Prakash; Vanaparthi, Satheeshvarma; Mir, Nisar A.; Iype, Eldhose; Sharma, Ratika; Kant, Rajni; Kumar, Indresh","Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions.","Organic & biomolecular chemistry","2020","18","6","1155","1164","10.1039/c9ob02501d","","","0.71073","MoKα","","0.0575","0.0383","","","0.0853","0.099","","","","","","1.069","","","","has coordinates","249036","2020-10-21","18:00:00",""
"7157317","12.1732","0.0005","12.4347","0.0004","21.2275","0.0007","106.423","0.003","90.464","0.003","90.866","0.003","3081.5","0.2","150","","150","","","","","","","","","3","P -1","-P 1","2","cage rearranged ketone","(1R,5S,6aS,8R)-8-methoxy-2a-methyl-4-phenyloctahydro-1,4,5-(epiethane[1,1,2]triyl)cyclopenta[cd]pentalen-2(1H)-one","","- C80 H88 O8 -","- C80 H88 O8 -","- C160 H176 O16 -","2","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","A new skeletal rearrangement of 1,7-dimethyl Cookson's cage dione catalyzed by a Lewis acid.","Organic & biomolecular chemistry","2020","18","7","1377","1383","10.1039/c9ob02298h","","x-ray","0.71073","MoKα","","0.1132","0.0689","","","0.1438","0.1835","","","","","","1.043","","","","has coordinates","249043","2020-10-21","18:00:00",""
"7157318","6.586","0.0004","17.7133","0.001","10.0216","0.0008","90","","92.235","0.007","90","","1168.23","0.13","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cage ketone","methyl 4,5a-dimethyl-5-oxooctahydro-1H-1,3-methanocyclobuta[cd]pentalene-6-carboxylate","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","A new skeletal rearrangement of 1,7-dimethyl Cookson's cage dione catalyzed by a Lewis acid.","Organic & biomolecular chemistry","2020","18","7","1377","1383","10.1039/c9ob02298h","","x-ray","0.71073","MoKα","","0.0777","0.0558","","","0.1268","0.1468","","","","","","1.041","","","","has coordinates","249043","2020-10-21","18:00:00",""
"7157319","9.3585","0.0001","13.5874","0.0001","17.4681","0.0001","103.374","0.001","91.665","0.001","93.433","0.001","2154.98","0.03","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 F N O2 -","- C12 H10 F N O2 -","- C96 H80 F8 N8 O16 -","8","4","","Kazia, Armands; Melngaile, Renate; Mishnev, Anatoly; Veliks, Janis","Johnson-Corey-Chaykovsky fluorocyclopropanation of double activated alkenes: scope and limitations.","Organic & biomolecular chemistry","2020","18","7","1384","1388","10.1039/c9ob02712b","","","1.54184","CuKα","","0.0537","0.0512","","","0.1593","0.1626","","","","","","1.058","","","","has coordinates","249044","2020-10-21","18:00:00",""
"7157320","18.542","0.0012","4.0333","0.0003","22.2351","0.0015","90","","138.944","0.001","90","","1092.17","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br F N2 -","- C13 H8 Br F N2 -","- C52 H32 Br4 F4 N8 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-mediated oxidative [3 + 2]-annulation of nitroalkenes and pyridinium imines: efficient synthesis of 3-fluoro- and 3-nitro-pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2020","18","7","1436","1448","10.1039/c9ob02668a","","","0.71073","MoKα","","0.0287","0.0228","","","0.0547","0.0573","","","","","","1.0206","","","","has coordinates","249045","2020-10-21","18:00:00",""
"7157321","3.8943","0.0001","25.4059","0.0006","10.7978","0.0003","90","","98.16","0.001","90","","1057.5","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-3-fluoro-pyrazolo[1,5-a]pyridazine","","- C12 H7 Br F N3 -","- C12 H7 Br F N3 -","- C48 H28 Br4 F4 N12 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-mediated oxidative [3 + 2]-annulation of nitroalkenes and pyridinium imines: efficient synthesis of 3-fluoro- and 3-nitro-pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2020","18","7","1436","1448","10.1039/c9ob02668a","","","0.71073","MoKα","","0.0301","0.0235","","","0.0523","0.0554","","","","","","1.06","","","","has coordinates","249045","2020-10-21","18:00:00",""
"7157322","7.5569","0.0007","7.5729","0.0006","15.4076","0.0014","90","","101.729","0.009","90","","863.33","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","","Bhattacharyya, Dipanjan; Nandi, Sekhar; Adhikari, Priyanka; Sarmah, Bikash Kumar; Konwar, Monuranjan; Das, Animesh","Boric acid catalyzed chemoselective reduction of quinolines.","Organic & biomolecular chemistry","2020","18","6","1214","1220","10.1039/c9ob02673h","","","0.71073","MoKα","","0.069","0.0528","","","0.1192","0.1387","","","","","","1.139","","","","has coordinates","249034","2020-10-21","18:00:00",""
"7157323","16.1406","0.0008","12.8442","0.0006","10.0734","0.0005","90","","97.501","0.004","90","","2070.48","0.18","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H26 O3 -","- C29 H26 O3 -","- C116 H104 O12 -","4","1","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.036","0.0348","","","0.0895","0.0906","","","","","","1.064","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157324","14.3416","0.0004","11.0113","0.0003","14.5008","0.0004","90","","105.056","0.003","90","","2211.35","0.11","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O5 -","- C30 H26 O5 -","- C120 H104 O20 -","4","1","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","1.54184","CuKα","","0.05","0.0457","","","0.1227","0.1268","","","","","","1.046","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157325","10.771","0.0005","12.5336","0.0005","17.4579","0.0007","90","","106.903","0.005","90","","2254.99","0.18","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 O3 -","- C31 H28 O3 -","- C124 H112 O12 -","4","1","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.0685","0.0514","","","0.1114","0.1217","","","","","","1.024","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157326","11.8871","0.0003","12.0988","0.0004","18.3739","0.0007","92.252","0.003","102.556","0.003","100.001","0.003","2531.96","0.15","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C35 H30 O3 -","- C35 H30 O3 -","- C140 H120 O12 -","4","2","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.0749","0.0553","","","0.1243","0.1389","","","","","","1.004","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157327","6.28259","0.0001","18.0959","0.0003","34.9828","0.0009","89.6453","0.0018","89.8577","0.0016","83.5587","0.0015","3951.98","0.14","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C200 H208 O32 -","8","4","","Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation.","Organic & biomolecular chemistry","2020","18","6","1112","1116","10.1039/c9ob02690h","","x-ray","0.71073","MoKα","","0.0921","0.0744","","","0.1964","0.2047","","","","","","1.104","","","","has coordinates","249037","2020-10-21","18:00:00",""
"7157328","12.8119","0.0003","20.5439","0.0004","11.4704","0.0002","90","","101.082","0.0009","90","","2962.79","0.1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 Cl2 N O2 P -","- C35 H24 Cl2 N O2 P -","- C140 H96 Cl8 N4 O8 P4 -","4","1","","Gorre, Ramesh; Enagandhula, Damodar; Balasubramanian, Sridhar; Akondi, Srirama Murthy","Visible-light-driven metal-free aerobic synthesis of highly diastereoselective phosphinoylpyrroloindoles.","Organic & biomolecular chemistry","2020","18","7","1354","1358","10.1039/c9ob02730k","","","0.71073","MoKα","","0.1023","0.0596","","","0.132","0.154","","","","","","1.05","","","","has coordinates","249042","2020-10-21","18:00:00",""
"7157329","4.8228","0.0004","15.0261","0.0016","15.5936","0.0015","88.598","0.008","88.036","0.006","82.569","0.007","1119.66","0.19","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H32 Na O8 S -","- C19 H32 Na O8 S -","- C38 H64 Na2 O16 S2 -","2","1","","Bencivenni, Grazia; Moccia, Maria; Ravelli, Andrea; Gillick-Healy, Malachi W; Kelly, Brian G.; Adamo, Mauro F. A.","First enantioselective synthesis of gingesulfonic acids and unequivocal determination of their absolute stereochemistry.","Organic & biomolecular chemistry","2020","18","6","1091","1094","10.1039/c9ob02662b","","x-ray","1.54178","CuKα","","0.1298","0.1107","","","0.299","0.3125","","","","","","1.094","","","","has coordinates,has disorder","249041","2020-10-21","18:00:00",""
"7157330","7.345","0.005","7.435","0.006","11.625","0.009","74.87","0.03","89.96","0.03","65.91","0.03","555.4","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N4 O2 -","- C11 H10 N4 O2 -","- C22 H20 N8 O4 -","2","1","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.1495","0.093","","","0.2128","0.2433","","","","","","1.126","","","","has coordinates,has disorder","249022","2020-10-21","18:00:00",""
"7157331","11.5238","0.001","9.5869","0.0009","12.6216","0.0011","90","","106.002","0.003","90","","1340.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 I N3 -","- C13 H14 I N3 -","- C52 H56 I4 N12 -","4","1","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.0453","0.0307","","","0.07","0.077","","","","","","1.048","","","","has coordinates","249022","2020-10-21","18:00:00",""
"7157332","14.409","0.002","7.2189","0.001","17.976","0.003","90","","107.935","0.007","90","","1779","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F3 N3 -","- C20 H18 F3 N3 -","- C80 H72 F12 N12 -","4","1","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.0642","0.0461","","","0.1283","0.1431","","","","","","1.027","","","","has coordinates,has disorder","249022","2020-10-21","18:00:00",""
"7157333","8.564","0.004","22.313","0.011","25.094","0.012","90","","93.048","0.007","90","","4788","4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 -","- C13 H15 N3 -","- C208 H240 N48 -","16","4","","Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C","π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.","Organic & biomolecular chemistry","2020","18","8","1657","1670","10.1039/c9ob02410g","","","0.71073","MoKα","","0.2051","0.069","","","0.1283","0.1726","","","","","","0.998","","","","has coordinates","249022","2020-10-21","18:00:00",""
"7157334","5.6493","0.0002","14.4444","0.0007","21.6781","0.0009","90","","90","","90","","1768.95","0.13","297.6","0.1","297.6","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl F3 O4 -","- C16 H16 Cl F3 O4 -","- C64 H64 Cl4 F12 O16 -","4","1","","Yang, Hongzhou; Wang, Qingqing; Luo, Yuan; Ye, Ling; Li, Xinying; Chen, Feng; Zhao, Zhigang; Li, Xuefeng","Enantioselective synthesis of trifluoromethyl substituted cyclohexanones via an organocatalytic cascade Michael/aldol reaction.","Organic & biomolecular chemistry","2020","18","8","1607","1611","10.1039/d0ob00004c","","x-ray","1.54184","CuKα","","0.083","0.0765","","","0.1951","0.2084","","","","","","1.034","","","","has coordinates,has disorder","249025","2020-10-21","18:00:00",""
"7157335","17.4373","0.0011","5.6433","0.0003","16.0752","0.0009","90","","103.086","0.006","90","","1540.78","0.16","157","10","157","10","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C14 H15 F3 O4 S -","- C14 H15 F3 O4 S -","- C56 H60 F12 O16 S4 -","4","1","","Yang, Hongzhou; Wang, Qingqing; Luo, Yuan; Ye, Ling; Li, Xinying; Chen, Feng; Zhao, Zhigang; Li, Xuefeng","Enantioselective synthesis of trifluoromethyl substituted cyclohexanones via an organocatalytic cascade Michael/aldol reaction.","Organic & biomolecular chemistry","2020","18","8","1607","1611","10.1039/d0ob00004c","","x-ray","1.54184","CuKα","","0.0851","0.0831","","","0.222","0.2261","","","","","","1.052","","","","has coordinates","249025","2020-10-21","18:00:00",""
"7157336","18.0169","0.0004","19.1954","0.0005","9.2687","0.0002","90","","90","","90","","3205.5","0.13","173","0.1","173","0.1","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C31 H34 B Cl2 Co F4 N P S -","- C31 H34 B Cl2 Co F4 N P S -","- C124 H136 B4 Cl8 Co4 F16 N4 P4 S4 -","4","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0608","0.052","","","0.1146","0.1241","","","","","","1.107","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157337","23.4012","0.0007","23.4012","0.0007","5.73617","0.00017","90","","90","","120","","2720.38","0.14","173","0.1","173","0.1","","","","","","","","4","R 3 :H","R 3","146","","","","- C14 H3 N2 O -","- C14 H3 N2 O -","- C126 H27 N18 O9 -","9","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0746","0.0682","","","0.1882","0.2135","","","","","","1.102","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157338","17.739","0.0004","10.70121","0.00019","33.541","0.0007","90","","90","","90","","6367","0.2","172.99","0.1","172.99","0.1","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C68 H74 B2 Co2 F8 N4 P2 S2 -","- C68 H74 B2 Co2 F8 N4 P2 S2 -","- C272 H296 B8 Co8 F32 N16 P8 S8 -","4","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0742","0.0608","","","0.147","0.1681","","","","","","1.145","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157339","10.6986","0.0005","11.3012","0.0005","14.4283","0.0006","81.323","0.003","89.73","0.003","61.927","0.002","1517.22","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","2","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole.","Organic & biomolecular chemistry","2020","18","8","1612","1622","10.1039/c9ob02703c","","","0.71073","MoKα","","0.0708","0.0446","","","0.1081","0.1287","","","","","","1.027","","","","has coordinates","249019","2020-10-21","18:00:00",""
"7157340","7.48","0.006","10.122","0.007","15.888","0.011","90","","96.16","0.03","90","","1196","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole.","Organic & biomolecular chemistry","2020","18","8","1612","1622","10.1039/c9ob02703c","","","0.71073","MoKα","","0.0555","0.0422","","","0.105","0.1197","","","","","","1.068","","","","has coordinates","249019","2020-10-21","18:00:00",""
"7157341","6.928","0.0002","10.494","0.0003","15.399","0.0004","90","","102.976","0.001","90","","1090.96","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Synthesis of indolo- and pyrrolo[1,2-a]quinoxalinones through a palladium-catalyzed oxidative carbonylation of the C<sub>2</sub> position of indole.","Organic & biomolecular chemistry","2020","18","8","1612","1622","10.1039/c9ob02703c","","","0.71073","MoKα","","0.0738","0.0622","","","0.1624","0.18","","","","","","1.092","","","","has coordinates","249019","2020-10-21","18:00:00",""
"7157342","8.0885","0.0016","14.698","0.003","8.985","0.0018","90","","101.21","0.03","90","","1047.8","0.4","163","2","163.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2'S,3R,3'S)-3'-(2-Bromophenyl)-1''-phenyldispiro[indoline-3,1'-cyclopropane-2',3''-pyrrolidine]-2,4'',5''-trione","","- C25 H17 Br N2 O3 -","- C25 H17 Br N2 O3 -","- C50 H34 Br2 N4 O6 -","2","1","","Wen, Jiang-Bo; Du, Da-Ming","Squaramide-catalysed asymmetric cascade reactions of 2,3-dioxopyrrolidines with 3-chlorooxindoles.","Organic & biomolecular chemistry","2020","18","8","1647","1656","10.1039/c9ob02663k","","","0.71073","MoKα","","0.0327","0.0318","","","0.0781","0.0789","","","","","","1.082","","","","has coordinates","249020","2020-10-21","18:00:00",""
"7157343","9.5271","0.0002","15.9359","0.0002","18.6928","0.0004","81.305","0.001","75.309","0.002","88.641","0.001","2713.35","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 Br2 N2 O6 -","- C60 H60 Br2 N2 O6 -","- C120 H120 Br4 N4 O12 -","2","1","","Zhao, Mei-Xin; Xiang, Juan; Zhao, Zi-Qiang; Zhao, Xiao-Li; Shi, Min","Asymmetric synthesis of dihydrocoumarins via catalytic sequential 1,6-addition/transesterification of α-isocyanoacetates with para-quinone methides.","Organic & biomolecular chemistry","2020","18","8","1637","1646","10.1039/c9ob02652e","","","1.54184","CuKα","","0.0618","0.0548","","","0.1376","0.1416","","","","","","1.095","","","","has coordinates,has disorder","249021","2020-10-21","18:00:00",""
"7157344","11.1329","0.0004","11.9307","0.0005","17.5044","0.0007","79.39","0.003","89.757","0.002","77.142","0.003","2226.3","0.16","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","5-Azaindole","methyl 1-benzyl-4-(1-benzyl-1H-pyrrol-2-yl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylate","","- C27 H23 N3 O2 -","- C54 H42 N6 O4 -","- C108 H84 N12 O8 -","2","1","","Dudhe, Premansh; Venkatasubbaiah, Krishnan; Pathak, Biswarup; Chelvam, Venkatesh","Serendipitous base catalysed condensation-heteroannulation of iminoesters: a regioselective route to the synthesis of 4,6-disubstituted 5-azaindoles.","Organic & biomolecular chemistry","2020","18","8","1582","1587","10.1039/c9ob02657f","","","0.71073","MoKα","","0.1432","0.0668","","","0.1757","0.2216","","","","","","1.013","","","","has coordinates","249026","2020-10-21","18:00:00",""
"7157345","20.236","0.012","5.793","0.003","14.906","0.008","90","","90","","90","","1747.4","1.7","302","2","302","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Ashitha, Kizhakkan Thiruthi; Vinaya, Puthiya Purayil; Krishna, Ajay; Vincent, Deepthy Cheeran; Jalaja, Renjitha; Varughese, Sunil; Balappa Somappa, Sasidhar","I<sub>2</sub>/TBHP mediated diastereoselective synthesis of spiroaziridines.","Organic & biomolecular chemistry","2020","18","8","1588","1593","10.1039/c9ob02711d","","","0.71073","MoKα","","0.0556","0.0472","","","0.1115","0.1172","","","","","","1.011","","","","has coordinates","249023","2020-10-21","18:00:00",""
"7157346","9.842","0.004","9.949","0.004","11.468","0.005","100.231","0.006","105.032","0.006","95.125","0.004","1056.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10.5 H10.5 N10.5 O10.5 -","- C29 H23 N O -","- C58 H46 N2 O2 -","2","1","","Ashitha, Kizhakkan Thiruthi; Vinaya, Puthiya Purayil; Krishna, Ajay; Vincent, Deepthy Cheeran; Jalaja, Renjitha; Varughese, Sunil; Balappa Somappa, Sasidhar","I<sub>2</sub>/TBHP mediated diastereoselective synthesis of spiroaziridines.","Organic & biomolecular chemistry","2020","18","8","1588","1593","10.1039/c9ob02711d","","","0.71073","MoKα","","0.093","0.0511","","","0.1321","0.1921","","","","","","0.658","","","","has coordinates","249023","2020-10-21","18:00:00",""
"7157347","7.9131","0.0003","9.8841","0.0005","26.9679","0.0012","90","","91.765","0.002","90","","2108.26","0.16","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 Br N O2 S -","- C27 H16 Br N O2 S -","- C108 H64 Br4 N4 O8 S4 -","4","1","","Zhou, Nengneng; Wu, Meixia; Zhang, Man; Zhou, Xiaoqiang; Zhou, Wei","TBPB-initiated cascade cyclization of 3-arylethynyl-[1,1'-biphenyl]-2-carbonitriles with sulfinic acids: access to sulfone-containing cyclopenta[gh]phenanthridines.","Organic & biomolecular chemistry","2020","18","9","1733","1737","10.1039/d0ob00119h","","","0.71073","MoKα","","0.0532","0.0441","","","0.1039","0.1105","","","","","","1.074","","","","has coordinates","257908","2020-10-21","18:00:00",""
"7157348","11.157","0.003","11.335","0.004","13.795","0.004","79.59","0.03","67.45","0.02","60.75","0.014","1405.7","0.8","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Br N O3 -","- C32 H36 Br N O3 -","- C64 H72 Br2 N2 O6 -","2","1","","Nan, Guang-Ming; Li, Xue; Yao, Tian-Yu; Yan, Ting-Xun; Wen, Li-Rong; Li, Ming","InCl<sub>3</sub>-catalyzed 5-exo-dig cyclization/1,6-conjugate addition of N-propargylamides with p-QMs to construct oxazole derivatives.","Organic & biomolecular chemistry","2020","18","9","1780","1784","10.1039/c9ob02651g","","","0.71073","MoKα","","0.0795","0.064","","","0.1122","0.1198","","","","","","1.153","","","","has coordinates","257910","2020-10-21","18:00:00",""
"7157349","7.4928","0.0007","8.7755","0.0011","11.1633","0.0011","84.247","0.009","78.666","0.008","76.675","0.01","699.17","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H21 N -","- C16 H21 N -","- C32 H42 N2 -","2","1","","Ali, Saghir; Gattu, Radhakrishna; Singh, Varun; Mondal, Santa; Khan, Abu T.; Dubey, Gurudutt; Bharatam, P. V.","Reaction behaviour of arylamines with nitroalkenes in the presence of bismuth(iii) triflate: an easy access to 2,3-dialkylquinolines.","Organic & biomolecular chemistry","2020","18","9","1785","1793","10.1039/c9ob02214g","","","0.71073","MoKα","","0.1153","0.0588","","","0.1354","0.1794","","","","","","1.039","","","","has coordinates","257909","2020-10-21","18:00:00",""
"7157350","6.7495","0.0004","24.3185","0.0012","14.4757","0.0009","90","","95.466","0.003","90","","2365.2","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 Br O4 -","- C25 H31 Br O4 -","- C100 H124 Br4 O16 -","4","2","","Miao, Jianzhuang; Zheng, Yi-Xuan; Wang, Linna; Lu, Shi-Chao; Zhang, Shi-Peng; Gong, Ya-Ling; Xu, Shu","Toward the total synthesis of grayanane diterpene mollanol A by a Prins [3 + 2] strategy.","Organic & biomolecular chemistry","2020","18","10","1877","1880","10.1039/d0ob00160k","","","1.34139","GaKα","","0.0418","0.0317","","","0.0761","0.0825","","","","","","1.017","","","","has coordinates","250357","2020-10-21","18:00:00",""
"7157351","6.7572","0.0004","14.284","0.0007","23.8212","0.0014","90","","90","","90","","2299.2","0.2","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br O4 -","- C25 H31 Br O4 -","- C100 H124 Br4 O16 -","4","1","","Miao, Jianzhuang; Zheng, Yi-Xuan; Wang, Linna; Lu, Shi-Chao; Zhang, Shi-Peng; Gong, Ya-Ling; Xu, Shu","Toward the total synthesis of grayanane diterpene mollanol A by a Prins [3 + 2] strategy.","Organic & biomolecular chemistry","2020","18","10","1877","1880","10.1039/d0ob00160k","","","0.71073","MoKα","","0.0966","0.0514","","","0.087","0.1015","","","","","","1.03","","","","has coordinates","250357","2020-10-21","18:00:00",""
"7157352","16.2453","0.0004","8.9674","0.0002","9.7074","0.0002","90","","93.2014","0.001","90","","1411.95","0.06","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cl N O3 -","- C17 H10 Cl N O3 -","- C68 H40 Cl4 N4 O12 -","4","1","","Upare, Atul; Chouhan, Neeraj Kumar; Ramaraju, Andhavaram; Sridhar, Balasubramanian; Bathula, Surendar Reddy","Access to pyrrolo[2,1-a]isoindolediones from oxime acetates and ninhydrin via Cu(i)-mediated domino annulations.","Organic & biomolecular chemistry","2020","18","9","1743","1746","10.1039/d0ob00058b","","","0.71073","MoKα","","0.1071","0.062","","","0.1299","0.1423","","","","","","1.441","","","","has coordinates","257907","2020-10-21","18:00:00",""
"7157353","10.4497","0.0003","14.6303","0.0004","15.2786","0.0005","90","","108.211","0.002","90","","2218.83","0.12","200","1","200","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H32 N6 O5 -","- C16 H32 N6 O5 -","- C64 H128 N24 O20 -","4","2","","Tonali, Nicolo; Correia, Isabelle; Lesma, Jacopo; Bernadat, Guillaume; Ongeri, Sandrine; Lequin, Olivier","Introducing sequential aza-amino acids units induces repeated β-turns and helical conformations in peptides.","Organic & biomolecular chemistry","2020","18","18","3452","3458","10.1039/c9ob02654a","","","1.54178","CuKα","","0.0371","0.0347","","","0.0939","0.0958","","","","","","1.037","","","","has coordinates","252921","2020-10-21","18:00:00",""
"7157354","7.3978","0.0004","11.414","0.0004","17.0191","0.0008","90","","90","","90","","1437.07","0.11","151","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","167-C.HI","","","- C7.5 H8.5 I0.5 N -","- C7.5 H8.5 I0.5 N -","- C60 H68 I4 N8 -","8","1","","Konstandaras, Nicholas; Dunn, Michelle H.; Luis, Ena T.; Cole, Marcus L.; Harper, Jason B.","The pK<sub>a</sub> values of N-aryl imidazolinium salts, their higher homologues, and formamidinium salts in dimethyl sulfoxide.","Organic & biomolecular chemistry","2020","18","10","1910","1917","10.1039/d0ob00036a","","","0.71073","MoKα","","0.0244","0.0186","","","0.0454","0.0482","","","","","","1.049","","","","has coordinates","250358","2020-10-21","18:00:00",""
"7157355","16.678","0.0005","26.824","0.0008","11.0601","0.0003","90","","124.701","0.001","90","","4067.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","166-B.HI half dichloromethane solvate","","","- C19.5 H26 Cl I N2 -","- C19.5 H26 Cl I N2 -","- C156 H208 Cl8 I8 N16 -","8","1","","Konstandaras, Nicholas; Dunn, Michelle H.; Luis, Ena T.; Cole, Marcus L.; Harper, Jason B.","The pK<sub>a</sub> values of N-aryl imidazolinium salts, their higher homologues, and formamidinium salts in dimethyl sulfoxide.","Organic & biomolecular chemistry","2020","18","10","1910","1917","10.1039/d0ob00036a","","","0.71073","MoKα","","0.0408","0.0297","","","0.0611","0.0689","","","","","","1.033","","","","has coordinates","250358","2020-10-21","18:00:00",""
"7157356","10.244","0.002","9.6663","0.0019","16.765","0.003","90","","92.91","0.03","90","","1658","0.5","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 Se -","- C21 H16 N2 Se -","- C84 H64 N8 Se4 -","4","1","","Yao, Hai-Feng; Li, Fang-Hui; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun","Iron(iii) chloride-promoted cyclization of α,β-alkynic tosylhydrazones with diselenides: synthesis of 4-(arylselanyl)-1H-pyrazoles.","Organic & biomolecular chemistry","2020","18","10","1987","1993","10.1039/d0ob00048e","","","0.71073","MoKα","","0.0314","0.0295","","","0.0818","0.0828","","","","","","1.169","","","","has coordinates","250360","2020-10-21","18:00:00",""
"7157357","9.4156","0.0005","14.0062","0.0006","11.154","0.0006","90","","104.097","0.002","90","","1426.66","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Dong, Shanliang; Huang, Jingjing; Sha, Hongkai; Qiu, Lihua; Hu, Wenhao; Xu, Xinfang","Copper-catalyzed formal [1 + 2 + 2]-annulation of alkyne-tethered diazoacetates and pyridines: access to polycyclic indolizines.","Organic & biomolecular chemistry","2020","18","10","1926","1932","10.1039/d0ob00222d","","","0.71073","MoKα","","0.061","0.0402","","","0.0847","0.1001","","","","","","1.038","","","","has coordinates","250361","2020-10-21","18:00:00",""
"7157358","7.2265","0.0006","13.6852","0.0016","32.525","0.003","90","","90","","90","","3216.6","0.5","120","2","119.97","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C168 H120 N8 O24 -","8","1","","Dong, Shanliang; Huang, Jingjing; Sha, Hongkai; Qiu, Lihua; Hu, Wenhao; Xu, Xinfang","Copper-catalyzed formal [1 + 2 + 2]-annulation of alkyne-tethered diazoacetates and pyridines: access to polycyclic indolizines.","Organic & biomolecular chemistry","2020","18","10","1926","1932","10.1039/d0ob00222d","","","0.71073","MoKα","","0.0893","0.0465","","","0.1214","0.1596","","","","","","1.093","","","","has coordinates","250361","2020-10-21","18:00:00",""
"7157359","9.0158","0.0002","10.7244","0.0003","32.8321","0.0009","90","","90","","90","","3174.5","0.14","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","1","","Su, Yingpeng; Zhang, Rong; Xue, Wenxuan; Liu, Xuan; Zhao, Yanan; Wang, Ke-Hu; Huang, Danfeng; Huo, Congde; Hu, Yulai","Visible-light-promoted acyl radical cascade reaction for accessing acylated isoquinoline-1,3(2H,4H)-dione derivatives.","Organic & biomolecular chemistry","2020","18","10","1940","1948","10.1039/d0ob00086h","","","0.71073","MoKα","","0.0667","0.0572","","","0.1723","0.181","","","","","","1.082","","","","has coordinates","250359","2020-10-21","18:00:00",""
"7157360","8.377","0.0005","23.6227","0.0013","12.1418","0.0007","90","","109.819","0.007","90","","2260.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N3 O3 S -","- C25 H23 N3 O3 S -","- C100 H92 N12 O12 S4 -","4","1","","Quan, Bao-Xue; Zhuo, Jun-Rui; Zhao, Jian-Qiang; Zhang, Ming-Liang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Yuan, Wei-Cheng","[4 + 1] annulation reaction of cyclic pyridinium ylides with in situ generated azoalkenes for the construction of spirocyclic skeletons.","Organic & biomolecular chemistry","2020","18","10","1886","1891","10.1039/c9ob02733e","","x-ray","1.54184","CuKα","","0.0599","0.0453","","","0.1112","0.1235","","","","","","1.05","","","","has coordinates","250362","2020-10-21","18:00:00",""
"7157361","11.3284","0.0005","8.7436","0.0006","20.6742","0.0009","90","","96.103","0.004","90","","2036.19","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O3 S -","- C24 H20 N2 O3 S -","- C96 H80 N8 O12 S4 -","4","1","","Quan, Bao-Xue; Zhuo, Jun-Rui; Zhao, Jian-Qiang; Zhang, Ming-Liang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Yuan, Wei-Cheng","[4 + 1] annulation reaction of cyclic pyridinium ylides with in situ generated azoalkenes for the construction of spirocyclic skeletons.","Organic & biomolecular chemistry","2020","18","10","1886","1891","10.1039/c9ob02733e","","x-ray","1.54184","CuKα","","0.0669","0.0476","","","0.1197","0.1362","","","","","","1.03","","","","has coordinates","250362","2020-10-21","18:00:00",""
"7157362","13.2399","0.0005","15.4494","0.0006","15.6625","0.0006","80.635","0.002","85.048","0.002","74.885","0.002","3048.4","0.2","99.98","","99.98","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 N2 O23 -","- C70 H70 N2 O23 -","- C140 H140 N4 O46 -","2","1","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","","1.54178","CuKα","","0.0656","0.0582","","","0.1663","0.1764","","","","","","1.04","","","","has coordinates,has disorder","250356","2020-10-21","18:00:00",""
"7157363","9.7417","0.0004","11.8403","0.0005","11.9923","0.0005","96.716","0.003","99.839","0.003","94.798","0.003","1345.94","0.1","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C65 H54 N2 O17 -","- C65 H54 N2 O17 -","- C65 H54 N2 O17 -","1","0.5","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","x-ray","1.54178","CuKα","","0.1041","0.0848","","","0.2376","0.2558","","","","","","1.055","","","","has coordinates,has disorder","250356","2020-10-21","18:00:00",""
"7157364","15.4706","0.0003","42.34","0.0009","19.1101","0.0004","90","","105.106","0.001","90","","12085.1","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C262 H220 Cl4 N8 O64 -","- C262 H220 Cl4 N8 O64 -","- C524 H440 Cl8 N16 O128 -","2","1","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","x-ray","1.54178","CuKα","","0.1527","0.1097","","","0.3002","0.3468","","","","","","1.065","","","","has coordinates","250356","2020-10-21","18:00:00",""
"7157365","18.6966","0.001","19.0196","0.001","18.8502","0.001","90","","111.438","0.003","90","","6239.4","0.6","100.03","","100.03","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H65 N3 O21 -","- C68 H65 N3 O21 -","- C272 H260 N12 O84 -","4","1","","Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei","Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.","Organic & biomolecular chemistry","2020","18","10","1900","1909","10.1039/d0ob00290a","","","1.54178","CuKα","","0.0869","0.0715","","","0.189","0.2028","","","","","","1.034","","","","has coordinates,has disorder","250356","2020-10-21","18:00:00",""
"7157366","5.9234","0.001","9.2189","0.0014","19.396","0.003","90","","92.203","0.004","90","","1058.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Xing, Naiguo; Huang, Jiangkun; Wang, Peng; Luo, Lan; Zheng, Shilong; He, Ling","Novel one-pot synthesis of imidazolinones from esters: a concise synthesis of GSK2137305.","Organic & biomolecular chemistry","2020","18","11","2175","2181","10.1039/c9ob02743b","","","0.71073","MoKα","","0.0581","0.0435","","","0.1057","0.1133","","","","","","1.047","","","","has coordinates","250371","2020-10-21","18:00:00",""
"7157367","5.3125","0.0002","12.3867","0.0005","13.7161","0.0006","90","","90.529","0.003","90","","902.54","0.06","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","{1-(Cyclohexyloxy)-1,3,3a,9a-tetrahydrofuro[3,4-b][1,4]benzodioxin-1- yl}methanol","","- C19 H26 O5 -","- C19 H26 O5 -","- C38 H52 O10 -","2","1","","Huang, Bo-Shun; Lowary, Todd L.","β-Selective xylulofuranosylation via a conformationally-restricted glycosyl donor.","Organic & biomolecular chemistry","2020","18","12","2264","2273","10.1039/d0ob00260g","","","1.54178","CuKα","","0.0966","0.0828","","","0.2137","0.2221","","","","","","1.009","","","","has coordinates","250374","2020-10-21","18:00:00",""
"7157368","15.1789","0.0004","11.1406","0.0003","15.2829","0.0005","90","","96.945","0.003","90","","2565.41","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N5 O4 -","- C30 H23 N5 O4 -","- C120 H92 N20 O16 -","4","1","","Shoji, Taku; Iida, Nanami; Yamazaki, Akari; Ariga, Yukino; Ohta, Akira; Sekiguchi, Ryuta; Nagahata, Tatsuki; Nagasawa, Takuya; Ito, Shunji","Synthesis of phthalimides cross-conjugated with an azulene ring, and their structural, optical and electrochemical properties.","Organic & biomolecular chemistry","2020","18","12","2274","2282","10.1039/d0ob00164c","","","0.71075","MoKα","","0.0776","0.0572","","","0.1221","0.1321","","","","","","1.036","","","","has coordinates,has disorder","250375","2020-10-21","18:00:00",""
"7157369","12.1083","0.0006","18.362","0.001","11.0509","0.0006","90","","111.208","0.006","90","","2290.6","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Br2 O5 -","- C25 H24 Br2 O5 -","- C100 H96 Br8 O20 -","4","1","","Indu, Satrajit; Telore, Rahul D.; Kaliappan, Krishna P.","Construction of key building blocks towards the synthesis of cortistatins.","Organic & biomolecular chemistry","2020","18","13","2432","2446","10.1039/d0ob00170h","","x-ray","0.71073","MoKα","","0.0706","0.0477","","","0.0941","0.1032","","","","","","1.093","","","","has coordinates","250369","2020-10-21","18:00:00",""
"7157370","5.9119","0.0018","15.078","0.005","23.745","0.007","90","","90","","90","","2116.6","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","1","","Cao, An-Zhu; Xiao, Yu-Ting; Wu, Yan-Chen; Song, Ren-Jie; Xie, Ye-Xiang; Li, Jin-Heng","Copper-catalyzed C-H [3 + 2] annulation of N-substituted anilines with α-carbonyl alkyl bromides via C(sp<sup>3</sup>)-Br/C(sp<sup>2</sup>)-H functionalization.","Organic & biomolecular chemistry","2020","18","11","2170","2174","10.1039/d0ob00399a","","","0.71073","MoKα","","0.0502","0.0435","","","0.1197","0.126","","","","","","1.014","","","","has coordinates","250372","2020-10-21","18:00:00",""
"7157371","16.093","0.0001","13.1541","0.0001","16.9863","0.0001","90","","99.884","0.001","90","","3542.44","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","pyrrole","1-(5-(1H-benzo[d][1,2,3]triazole-1-carbonyl)-4-(4-bromophenyl)-2-methyl-1H-pyrrol-3-yl)ethan-1-one","","- C40 H30 Br2 N8 O4 -","- C40 H30 Br2 N8 O4 -","- C160 H120 Br8 N32 O16 -","4","1","","Galenko, Ekaterina E.; Shakirova, Firuza M.; Bodunov, Vladimir A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","1-(2H-Azirine-2-carbonyl)benzotriazoles: building blocks for the synthesis of pyrrole-containing heterocycles.","Organic & biomolecular chemistry","2020","18","12","2283","2296","10.1039/d0ob00206b","","","1.54184","CuKα","","0.0349","0.0327","","","0.0875","0.0891","","","","","","1.033","","","","has coordinates","250373","2020-10-21","18:00:00",""
"7157372","10.939","0.007","5.285","0.003","35.06","0.03","90","","95.01","0.02","90","","2019","2","173","","173","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C20 H32 F6 -","- C20 H32 F6 -","- C80 H128 F24 -","4","1","","Al-Maharik, Nawaf; Cordes, David B.; Slawin, Alexandra M. Z.; Bühl, Michael; O'Hagan, David","Probing the helical integrity of multivicinal all-syn-fluoro alkanes.","Organic & biomolecular chemistry","2020","18","5","878","887","10.1039/c9ob02647a","","","1.54187","CuKα","","0.0875","0.0631","","","0.1541","0.1613","","","","","","0.894","","","","has coordinates","248785","2020-10-21","18:00:00",""
"7157373","10.2647","0.0003","11.6265","0.0004","13.2263","0.0004","74.145","0.002","82.775","0.002","72.328","0.002","1445.18","0.08","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 B Cl2 F4 N3 -","- C33 H26 B Cl2 F4 N3 -","- C66 H52 B2 Cl4 F8 N6 -","2","1","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.0983","0.0525","","","0.1279","0.1513","","","","","","1.004","","","","has coordinates","250370","2020-10-21","18:00:00",""
"7157374","9.429","0.002","10.505","0.003","13.733","0.003","72.898","0.003","88.384","0.003","80.368","0.003","1281.5","0.5","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H50 Br2 Cl2 N6 -","- C65 H50 Br2 Cl2 N6 -","- C65 H50 Br2 Cl2 N6 -","1","0.5","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.1254","0.0588","","","0.0867","0.1048","","","","","","0.956","","","","has coordinates,has disorder","250370","2020-10-21","18:00:00",""
"7157375","10.9702","0.0011","12.8749","0.0013","13.9596","0.0014","67.647","0.001","67.729","0.001","88.548","0.001","1671.1","0.3","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 B N3 -","- C46 H34 B N3 -","- C92 H68 B2 N6 -","2","1","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.0557","0.0427","","","0.1032","0.1112","","","","","","1.043","","","","has coordinates","250370","2020-10-21","18:00:00",""
"7157376","9.965","0.002","10.359","0.003","11.761","0.003","79.445","0.003","86.088","0.003","67.63","0.003","1103.7","0.5","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 B Cl2 N3 -","- C28 H18 B Cl2 N3 -","- C56 H36 B2 Cl4 N6 -","2","1","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.1042","0.0537","","","0.1184","0.1383","","","","","","1.037","","","","has coordinates","250370","2020-10-21","18:00:00",""
"7157377","9.41","0.0003","10.4509","0.0004","13.6039","0.0005","73.214","0.002","87.718","0.002","79.175","0.002","1257.9","0.08","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H50 Cl4 N6 -","- C65 H50 Cl4 N6 -","- C65 H50 Cl4 N6 -","1","0.5","","Diaz-Rodriguez, Roberto M; Burke, Luke; Robertson, Katherine N.; Thompson, Alison","Synthesis, properties and reactivity of BCl<sub>2</sub> aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold.","Organic & biomolecular chemistry","2020","18","11","2139","2147","10.1039/d0ob00272k","","","0.71073","MoKα","","0.058","0.0442","","","0.1107","0.1192","","","","","","1.047","","","","has coordinates,has disorder","250370","2020-10-21","18:00:00",""
"7157378","15.931","0.002","14.7572","0.0015","8.0025","0.0009","90","","106.219","0.004","90","","1806.5","0.4","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,3-bis Indole","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","0.5","","Singh, Himanshu; Tiwari, Rajat; Sharma, Poonam; Kumar, Pramod; Jain, Nidhi","Zinc triflate catalyzed 1,3-indolylation of cyclohexanones: tandem condensation, dehydrogenation and aromatization sequence.","Organic & biomolecular chemistry","2020","18","13","2492","2500","10.1039/d0ob00163e","","","0.71073","MoKα","","0.09","0.0551","","","0.1312","0.1448","","","","","","1.017","","","","has coordinates","250367","2020-10-21","18:00:00",""
"7157379","27.747","0.003","9.3839","0.0009","7.7982","0.0008","90","","90","","90","","2030.5","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H20 B F6 N3 O -","- C21 H20 B F6 N3 O -","- C84 H80 B4 F24 N12 O4 -","4","1","","Hohlfeld, Benjamin F.; Gitter, Burkhard; Flanagan, Keith J.; Kingsbury, Christopher J.; Kulak, Nora; Senge, Mathias O.; Wiehe, Arno","Exploring the relationship between structure and activity in BODIPYs designed for antimicrobial phototherapy.","Organic & biomolecular chemistry","2020","18","13","2416","2431","10.1039/d0ob00188k","","","0.71073","MoKα","","0.0649","0.0498","","","0.0861","0.0895","","","","","","1.028","","","","has coordinates","250366","2020-10-21","18:00:00",""
"7157380","7.6304","0.0002","9.5936","0.0002","11.6142","0.0003","110.557","0.001","92.1349","0.0011","98.3717","0.001","783.98","0.03","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","8-(4-N-Propargylamino-3-nitrophenyl)-bordipyrromethane","","- C18 H13 B F2 N4 O2 -","- C18 H13 B F2 N4 O2 -","- C36 H26 B2 F4 N8 O4 -","2","1","","Hohlfeld, Benjamin F.; Gitter, Burkhard; Flanagan, Keith J.; Kingsbury, Christopher J.; Kulak, Nora; Senge, Mathias O.; Wiehe, Arno","Exploring the relationship between structure and activity in BODIPYs designed for antimicrobial phototherapy.","Organic & biomolecular chemistry","2020","18","13","2416","2431","10.1039/d0ob00188k","","x-ray","0.71073","MoKα","","0.0328","0.031","","","0.0824","0.0845","","","","","","1.072","","","","has coordinates","250366","2020-10-21","18:00:00",""
"7157381","7.5487","0.0002","6.7333","0.0002","15.8235","0.0005","90","","93.459","0.001","90","","802.81","0.04","100","2","100","2","","","","","","","Xylaria longipes","3","P 1 21 1","P 2yb","4","","Xylarilongipin A","","- C19 H30 O3 -","- C19 H30 O3 -","- C38 H60 O6 -","2","1","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0338","0.0334","","","0.0956","0.0963","","","","","","1.097","","","","has coordinates","250365","2020-10-21","18:00:00",""
"7157382","7.6786","0.0003","10.5655","0.0004","40.1904","0.0016","90","","90","","90","","3260.6","0.2","100","2","100","2","","","","","","","Xylaria longipes","3","P 21 21 21","P 2ac 2ab","19","","Xylarilongipin B","","- C20 H28 O3 -","- C20 H28 O3 -","- C160 H224 O24 -","8","2","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0833","0.0672","","","0.1827","0.2112","","","","","","1.162","","","","has coordinates","250365","2020-10-21","18:00:00",""
"7157383","11.5943","0.0006","6.2502","0.0003","12.5743","0.0007","90","","107.516","0.001","90","","868.97","0.08","152","2","152","2","","","","","","","Xylaria longipes","3","P 1 21 1","P 2yb","4","","Hymatoxin L","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0308","0.0304","","","0.0799","0.0804","","","","","","1.029","","","","has coordinates","250365","2020-10-21","18:00:00",""
"7157384","6.9173","0.0008","13.9163","0.0016","14.1631","0.0016","114.998","0.001","94.368","0.001","94.251","0.001","1223.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 F3 O4 Se -","- C26 H25 F3 O4 Se -","- C52 H50 F6 O8 Se2 -","2","1","","Liao, Ming-Hong; Zhang, Meng; Hu, Dai-Hui; Zhang, Rui-Han; Zhao, Yan; Liu, Shan-Shan; Li, Yun-Xia; Xiao, Wei-Lie; Tang, E.","Controlling the selectivity of an intramolecular Friedel-Crafts alkylation with alkenes using selenium under mild conditions.","Organic & biomolecular chemistry","2020","18","21","4034","4045","10.1039/d0ob00257g","","","0.71073","MoKα","","0.1107","0.0814","","","0.2602","0.2805","","","","","","0.999","","","","has coordinates","252932","2020-10-21","18:00:00",""
"7157385","9.3459","0.0008","19.5855","0.0017","25.163","0.002","90","","90","","90","","4605.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H28 O5 Se -","- C26 H28 O5 Se -","- C208 H224 O40 Se8 -","8","1","","Liao, Ming-Hong; Zhang, Meng; Hu, Dai-Hui; Zhang, Rui-Han; Zhao, Yan; Liu, Shan-Shan; Li, Yun-Xia; Xiao, Wei-Lie; Tang, E.","Controlling the selectivity of an intramolecular Friedel-Crafts alkylation with alkenes using selenium under mild conditions.","Organic & biomolecular chemistry","2020","18","21","4034","4045","10.1039/d0ob00257g","","","0.71073","MoKα","","0.0596","0.0349","","","0.0857","0.0971","","","","","","1.023","","","","has coordinates","252932","2020-10-21","18:00:00",""
"7157386","10.5462","0.0006","11.8138","0.0006","24.1532","0.0013","90","","90","","90","","3009.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N3 S2 -","- C15 H17 N3 S2 -","- C120 H136 N24 S16 -","8","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0517","0.0467","","","0.1138","0.1167","","","","","","1.096","","","","has coordinates,has disorder","250363","2020-10-21","18:00:00",""
"7157387","9.035","0.005","11.727","0.007","13.103","0.008","90","","90","","90","","1388.3","1.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N4 S2 -","- C13 H14 N4 S2 -","- C52 H56 N16 S8 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0391","0.0369","","","0.0893","0.0906","","","","","","1.071","","","","has coordinates","250363","2020-10-21","18:00:00",""
"7157388","5.3591","0.0003","19.3576","0.0011","15.0546","0.0008","90","","96.041","0.001","90","","1553.08","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 S2 -","- C17 H15 N3 S2 -","- C68 H60 N12 S8 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0437","0.0391","","","0.1026","0.1057","","","","","","1.057","","","","has coordinates,has disorder","250363","2020-10-21","18:00:00",""
"7157389","8.1553","0.0005","16.6915","0.001","14.5815","0.0009","90","","102.205","0.001","90","","1940","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 S2 -","- C21 H21 N3 S2 -","- C84 H84 N12 S8 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0925","0.0591","","","0.131","0.1459","","","","","","1.043","","","","has coordinates,has disorder","250363","2020-10-21","18:00:00",""
"7157390","11.0937","0.0007","6.0127","0.0004","13.9608","0.001","90","","93.459","0.005","90","","929.53","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C44 H40 N8 S4 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","1.54178","CuKα","","0.0809","0.0556","","","0.1304","0.1447","","","","","","1.024","","","","has coordinates","250363","2020-10-21","18:00:00",""
"7157391","16.298","0.01","8.588","0.006","12.152","0.008","90","","103.311","0.017","90","","1655.2","1.9","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trifluoro-4-terc-butilamio-3-buten-2-ona","1-(4-bromophenyl)-2-((tert-butylamino)methylene)-4,4,4-trifluorobutane-1,3-dione","","- C15 H15 Br F3 N O2 -","- C15 H15 Br F3 N O2 -","- C60 H60 Br4 F12 N4 O8 -","4","1","","Pianoski, Karlos Eduardo; Poletto, Julia; Vieira da Silva, Michael Jackson; Ascencio Camargo, Jeniffer Nascimento; Jacomini, Andrey Petita; Gonçalves, Davana Silva; Back, Davi Fernando; Moura, Sidnei; Rosa, Fernanda Andreia","1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles.","Organic & biomolecular chemistry","2020","18","13","2524","2537","10.1039/d0ob00319k","","","0.71073","MoKα","","0.2237","0.0693","","","0.1178","0.1782","","","","","","0.893","","","","has coordinates","250364","2020-10-21","18:00:00",""
"7157392","9.0678","0.0004","10.6289","0.0005","11.469","0.0006","103.2","0.002","92.95","0.002","110.44","0.002","997.94","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Phenyl trifluormethyl (methyl methoxyphenyl)imin fluorphenyl pyrazol","1-Phenyl-3-trifluormethyl-4-(methyl-(2-methoxyphenyl)imin)-5-(4-fluorphenyl)-1H-","","- C24 H17 F4 N3 O -","- C24 H17 F4 N3 O -","- C48 H34 F8 N6 O2 -","2","1","","Pianoski, Karlos Eduardo; Poletto, Julia; Vieira da Silva, Michael Jackson; Ascencio Camargo, Jeniffer Nascimento; Jacomini, Andrey Petita; Gonçalves, Davana Silva; Back, Davi Fernando; Moura, Sidnei; Rosa, Fernanda Andreia","1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles.","Organic & biomolecular chemistry","2020","18","13","2524","2537","10.1039/d0ob00319k","","","0.71073","MoKα","","0.0401","0.0354","","","0.0911","0.0943","","","","","","1.027","","","","has coordinates","250364","2020-10-21","18:00:00",""
"7157393","12.889","0.002","5.2686","0.001","25.153","0.005","90","","97.851","0.006","90","","1692.1","0.5","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trifluormethyl methoxyphenyl iminomethyl bromophenyl isoxal","3-trifluormethyl-4-(2-methoxyphenyl)iminomethyl-5-(4-bromophenyl)-isoxal","","- C18 H12 Br F3 N2 O2 -","- C18 H12 Br F3 N2 O2 -","- C72 H48 Br4 F12 N8 O8 -","4","1","","Pianoski, Karlos Eduardo; Poletto, Julia; Vieira da Silva, Michael Jackson; Ascencio Camargo, Jeniffer Nascimento; Jacomini, Andrey Petita; Gonçalves, Davana Silva; Back, Davi Fernando; Moura, Sidnei; Rosa, Fernanda Andreia","1,2-Addition to trifluoromethylated β-enamino diketones: regioselective synthesis of trifluoromethyl-containing azomethine pyrazoles and isoxazoles.","Organic & biomolecular chemistry","2020","18","13","2524","2537","10.1039/d0ob00319k","","","0.71073","MoKα","","0.0921","0.0463","","","0.1056","0.1231","","","","","","1.019","","","","has coordinates","250364","2020-10-21","18:00:00",""
"7157394","15.5095","0.0019","16.419","0.002","17.6112","0.0015","79.615","0.013","68.069","0.007","84.517","0.012","4090.1","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.5 H45.5 Cl1.5 N O -","- C51.5 H45.5 Cl1.5 N O -","- C206 H182 Cl6 N4 O4 -","4","2","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.0525","0.0414","","","0.113","0.1175","","","","","","1.081","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157395","14.607","0.004","16.157","0.004","27.29","0.004","106.338","0.003","90.856","0.003","116.601","0.007","5451","2","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H41 N3 -","- C44 H41 N3 -","- C264 H246 N18 -","6","3","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0746","0.0603","","","0.167","0.1754","","","","","","0.992","","","","has coordinates,has disorder","253979","2020-10-21","18:00:00",""
"7157396","9.2808","0.0017","15.164","0.002","16.814","0.004","74.57","0.02","84.71","0.02","81.55","0.016","2252.7","0.8","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H46 Cl3 N3 -","- C55 H46 Cl3 N3 -","- C110 H92 Cl6 N6 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.1015","0.0786","","","0.2191","0.2312","","","","","","0.993","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157397","17.038","0.009","21.523","0.008","11.237","0.005","90","","108.547","0.013","90","","3907","3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Cl3 N O -","- C45 H44 Cl3 N O -","- C180 H176 Cl12 N4 O4 -","4","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.1041","0.0824","","","0.2125","0.2265","","","","","","0.935","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157398","11.6137","0.0017","12.3195","0.0016","14.2724","0.0013","64.628","0.011","72.187","0.013","82.043","0.015","1756.5","0.4","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H43 N3 -","- C45 H43 N3 -","- C90 H86 N6 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.1071","0.0568","","","0.1366","0.1551","","","","","","0.974","","","","has coordinates,has disorder","253979","2020-10-21","18:00:00",""
"7157399","54.62","0.009","13.2972","0.0019","44.552","0.009","90","","122.652","0.003","90","","27244","8","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H41 N5 O -","- C49 H41 N5 O -","- C1176 H984 N120 O24 -","24","3","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.1452","0.1246","","","0.3469","0.3619","","","","","","1.016","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157400","11.1504","0.0015","11.582","0.0011","14.992","0.002","85.88","0.006","86.682","0.006","79.303","0.007","1895.6","0.4","113","","113","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H49 N3 -","- C48 H49 N3 -","- C96 H98 N6 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.0531","0.0433","","","0.1189","0.1229","","","","","","1.053","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157401","11.977","0.002","12.739","0.002","17.798","0.003","98.842","0.004","98.679","0.004","107.964","0.004","2495","0.7","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H44 Cl3 N5 O -","- C51 H44 Cl3 N5 O -","- C102 H88 Cl6 N10 O2 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.126","0.1182","","","0.3268","0.334","","","","","","1.016","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157402","17.349","0.003","13.933","0.003","19.572","0.003","90","","100.366","0.004","90","","4653.8","1.5","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H41 N7 -","- C52 H41 N7 -","- C208 H164 N28 -","4","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0665","0.0616","","","0.1589","0.1617","","","","","","1.087","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157403","12.037","0.005","13.922","0.005","16.102","0.005","91.4728","0.0007","111.807","0.008","109.604","0.014","2324.9","1.5","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C53 H43 N7 -","- C53 H43 N7 -","- C106 H86 N14 -","2","1","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0507","0.0413","","","0.1143","0.1193","","","","","","1.054","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157404","15.001","0.002","16.5592","0.0018","30.27","0.004","90","","100.711","0.004","90","","7388.2","1.6","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H43 N3 -","- C47 H43 N3 -","- C376 H344 N24 -","8","2","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","1.54187","CuKα","","0.0664","0.0586","","","0.1677","0.1748","","","","","","1.08","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157405","13.3124","0.0011","17.3674","0.0016","17.7864","0.0016","78.525","0.008","77.087","0.008","70.127","0.007","3735.5","0.6","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H43 N3 O0.5 -","- C46.5 H43 N3 O0.5 -","- C186 H172 N12 O2 -","4","2","","Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.","Organic & biomolecular chemistry","2020","18","22","4198","4209","10.1039/c9ob02706h","","","0.71075","MoKα","","0.107","0.0716","","","0.2219","0.2415","","","","","","1.085","","","","has coordinates","253979","2020-10-21","18:00:00",""
"7157406","9.6244","0.0003","9.8943","0.0003","14.3864","0.0005","90","","94.36","0.003","90","","1366","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl N O5 -","- C29 H32 Cl N O5 -","- C58 H64 Cl2 N2 O10 -","2","1","","Zhou, Jing; Bai, Li-Juan; Liang, Guo-Juan; Xu, Qi-Gui; Zhou, Li-Ping; Zhou, Hui","Organocatalytic asymmetric cascade 1,6-addition/hemiketalization/retro-Henry reaction of ortho-hydroxyphenyl-substituted p-QMs with α-nitroketones.","Organic & biomolecular chemistry","2020","18","14","2641","2645","10.1039/d0ob00397b","","x-ray","1.54184","CuKα","","0.0518","0.0467","","","0.1262","0.135","","","","","","1.048","","","","has coordinates","251729","2020-10-21","18:00:00",""
"7157407","8.7086","0.0008","9.0359","0.0007","17.1804","0.0016","90","","102.801","0.003","90","","1318.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Br Cl O4 P -","- C10 H13 Br Cl O4 P -","- C40 H52 Br4 Cl4 O16 P4 -","4","1","","Wang, Zexu; Zeng, Yiping; Wu, Xiaofan; Li, Zihan; Tao, Yuan; Yu, Xiaomin; Huang, Zedu; Chen, Fener","Access to chiral α-substituted-β-hydroxy arylphosphonates enabled by biocatalytic dynamic reductive kinetic resolution.","Organic & biomolecular chemistry","2020","18","14","2672","2677","10.1039/d0ob00379d","","","1.34138","GaKα","","0.045","0.044","","","0.1134","0.114","","","","","","1.15","","","","has coordinates","251726","2020-10-21","18:00:00",""
"7157408","8.7884","0.0003","9.1062","0.0003","34.664","0.001","90","","90","","90","","2774.12","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Br Cl O4 P -","- C10 H13 Br Cl O4 P -","- C80 H104 Br8 Cl8 O32 P8 -","8","2","","Wang, Zexu; Zeng, Yiping; Wu, Xiaofan; Li, Zihan; Tao, Yuan; Yu, Xiaomin; Huang, Zedu; Chen, Fener","Access to chiral α-substituted-β-hydroxy arylphosphonates enabled by biocatalytic dynamic reductive kinetic resolution.","Organic & biomolecular chemistry","2020","18","14","2672","2677","10.1039/d0ob00379d","","","1.34138","GaKα","","0.0441","0.0424","","","0.1136","0.1148","","","","","","1.057","","","","has coordinates","251726","2020-10-21","18:00:00",""
"7157409","5.7158","0.0008","16.615","0.002","19.036","0.002","90","","90","","90","","1807.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Popik, Oskar; Grzeszczyk, Barbara; Staszewska-Krajewska, Olga; Furman, Bartłomiej; Chmielewski, Marek","Synthesis of β-lactams via diastereoselective, intramolecular Kinugasa reactions.","Organic & biomolecular chemistry","2020","18","15","2852","2860","10.1039/d0ob00228c","","","1.54178","CuKα","","0.0583","0.0427","","","0.1027","0.1132","","","","","","1.017","","","","has coordinates","251733","2020-10-21","18:00:00",""
"7157410","10.19377","0.00018","39.0375","0.0007","11.437","0.0002","90","","116.788","0.0008","90","","4062.81","0.13","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C105 H74 Cl2 N8 O2 -","- C105 H74 Cl2 N8 O2 -","- C210 H148 Cl4 N16 O4 -","2","1","","Kubo, Masahiro; Takase, Ko; Noguchi, Keiichi; Nakano, Koji","Solvent-sensitive circularly polarized luminescent compounds bearing a 9,9'-spirobi[fluorene] skeleton.","Organic & biomolecular chemistry","2020","18","15","2866","2876","10.1039/c9ob02681a","","","1.54187","CuKα","","0.0654","0.0619","","","0.1757","0.1809","","","","","","1.109","","","","has coordinates,has disorder","251732","2020-10-21","18:00:00",""
"7157411","5.4509","0.0007","19.981","0.003","10.8572","0.0016","90","","103.309","0.005","90","","1150.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Shamanth, Sadashivamurthy; Chaithra, Nagaraju; Gurukiran, Mahesha; Mamatha, Mahesha; Lokanath, N. K.; Rangappa, Kanchugarakoppal S.; Mantelingu, Kempegowda","I<sub>2</sub>-Catalyzed transformation of o-aminobenzamide to o-ureidobenzonitrile using isothiocyanates.","Organic & biomolecular chemistry","2020","18","14","2678","2684","10.1039/d0ob00118j","","","0.71075","MoKα","","0.0468","0.0399","","","0.1055","0.1112","","","","","","1.058","","","","has coordinates","251728","2020-10-21","18:00:00",""
"7157412","8.532","0.0007","11.8108","0.0008","14.1961","0.001","90","","90","","90","","1430.54","0.18","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 B F O2 -","- C16 H20 B F O2 -","- C64 H80 B4 F4 O8 -","4","1","","Martínez-Aguirre, Mayte A; Flores-Alamo, Marcos; Medrano, Felipe; Yatsimirsky, Anatoly K.","Examination of pinanediol-boronic acid ester formation in aqueous media: relevance to the relative stability of trigonal and tetrahedral boronate esters.","Organic & biomolecular chemistry","2020","18","14","2716","2726","10.1039/d0ob00201a","","","0.71073","MoKα","","0.0625","0.0448","","","0.0896","0.0994","","","","","","1.044","","","","has coordinates,has disorder","251727","2020-10-21","18:00:00",""
"7157413","6.2351","0.0005","12.5482","0.0009","20.861","0.0015","90","","90","","90","","1632.1","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 B O3 -","- C18 H25 B O3 -","- C72 H100 B4 O12 -","4","1","","Martínez-Aguirre, Mayte A; Flores-Alamo, Marcos; Medrano, Felipe; Yatsimirsky, Anatoly K.","Examination of pinanediol-boronic acid ester formation in aqueous media: relevance to the relative stability of trigonal and tetrahedral boronate esters.","Organic & biomolecular chemistry","2020","18","14","2716","2726","10.1039/d0ob00201a","","","0.71073","MoKα","","0.073","0.0509","","","0.1013","0.1159","","","","","","1.059","","","","has coordinates","251727","2020-10-21","18:00:00",""
"7157414","34.1049","0.0003","14.4311","0.0001","31.2664","0.0002","90","","102.554","0.001","90","","15020.5","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","phaseolide A-CS","","- C106.12 H104.87 Cl12 N24 O8.53 Zn6 -","- C106.128 H104.88 Cl12 N24 O8.532 Zn6 -","- C424.512 H419.52 Cl48 N96 O34.128 Zn24 -","4","1","","Morishita, Yohei; Sonohara, Terutaka; Taniguchi, Tohru; Adachi, Kiyohiro; Fujita, Makoto; Asai, Teigo","Synthetic-biology-based discovery of a fungal macrolide from Macrophomina phaseolina.","Organic & biomolecular chemistry","2020","18","15","2813","2816","10.1039/d0ob00519c","","x-ray","1.54184","CuKα","","0.0641","0.0572","","","0.1681","0.1757","","","","","","1.044","","","","has coordinates,has disorder","251735","2020-10-21","18:00:00",""
"7157415","10.3478","0.001","14.7058","0.0014","18.6178","0.0017","90","","90","","90","","2833.1","0.5","296","2","296","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","N-diarylmethane substituted isoxazolinones","(R)-2-((2-chlorophenyl)(3,5-di-tert-butyl-4-hydroxyphenyl)methyl)-4-methyl-3-phenylisoxazol-5(2H)-one","","- C31 H34 Cl N O3 -","- C31 H34 Cl N O3 -","- C124 H136 Cl4 N4 O12 -","4","1","","Qi, Suo-Suo; Jiang, Zhen-Hui; Chu, Ming-Ming; Wang, Yi-Feng; Chen, Xue-Yang; Ju, Wan-Zhen; Xu, Dan-Qian","Regioselective catalytic asymmetric N-alkylation of isoxazol-5-ones with para-quinone methides.","Organic & biomolecular chemistry","2020","18","13","2398","2404","10.1039/d0ob00393j","","","0.71073","MoKα","","0.0526","0.0407","","","0.0955","0.1045","","","","","","1.022","","","","has coordinates","250368","2020-10-21","18:00:00",""
"7157416","13.583","0.003","8.561","0.002","15.116","0.003","90","","97.03","0.03","90","","1744.5","0.7","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Ning, Yi; He, Xinwei; Zuo, Youpeng; Wang, Jian; Tang, Qiang; Xie, Mengqing; Li, Ruxue; Shang, Yongjia","Rh-Catalyzed C-H activation/intramolecular condensation for the construction of benzo[f]pyrazolo[1,5-a][1,3]diazepines.","Organic & biomolecular chemistry","2020","18","15","2893","2901","10.1039/d0ob00382d","","","0.71073","MoKα","","0.0695","0.0495","","","0.1225","0.1402","","","","","","1.036","","","","has coordinates","251734","2020-10-21","18:00:00",""
"7157417","7.2409","0.0013","19.433","0.004","10.923","0.002","90","","95.667","0.002","90","","1529.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Ning, Yi; He, Xinwei; Zuo, Youpeng; Wang, Jian; Tang, Qiang; Xie, Mengqing; Li, Ruxue; Shang, Yongjia","Rh-Catalyzed C-H activation/intramolecular condensation for the construction of benzo[f]pyrazolo[1,5-a][1,3]diazepines.","Organic & biomolecular chemistry","2020","18","15","2893","2901","10.1039/d0ob00382d","","","0.71073","MoKα","","0.0627","0.0462","","","0.1169","0.1269","","","","","","1.075","","","","has coordinates","251734","2020-10-21","18:00:00",""
"7157418","7.5756","0.0008","8.7063","0.0006","19.34","0.003","90","","90","","90","","1275.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C60 H48 O8 S4 -","4","1","","Gharui, Chandan; Prakash, Satya; Chopra, Deepak; Pan, Subhas Chandra","Organocatalytic asymmetric addition of thioglycolates to o-quinone methides: a route to 5-substituted-5H-benzoxathiepine-2(3H)-ones.","Organic & biomolecular chemistry","2020","18","15","2828","2833","10.1039/d0ob00568a","","","0.71073","MoKα","","0.1424","0.0683","","","0.1007","0.1308","","","","","","1.006","","","","has coordinates","251730","2020-10-21","18:00:00",""
"7157419","7.969","0.003","34.663","0.014","5.361","0.002","90","","90","","90","","1480.9","1","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","P21212","","- C17 H16 O4 S -","- C17 H16 O4 S -","- C68 H64 O16 S4 -","4","1","","Gharui, Chandan; Prakash, Satya; Chopra, Deepak; Pan, Subhas Chandra","Organocatalytic asymmetric addition of thioglycolates to o-quinone methides: a route to 5-substituted-5H-benzoxathiepine-2(3H)-ones.","Organic & biomolecular chemistry","2020","18","15","2828","2833","10.1039/d0ob00568a","","","0.71073","MoKα","","0.1558","0.0762","","","0.1546","0.1915","","","","","","0.959","","","","has coordinates,has disorder","251730","2020-10-21","18:00:00",""
"7157420","12.9764","0.0011","14.3781","0.0012","17.5765","0.0015","90","","90","","90","","3279.4","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 O2 P2 -","- C37 H40 O2 P2 -","- C148 H160 O8 P8 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0836","0.0522","","","0.1025","0.1121","","","","","","0.954","","","","has coordinates","251719","2020-10-21","18:00:00",""
"7157421","13.2801","0.0012","14.3298","0.0013","17.9616","0.0015","90","","90","","90","","3418.1","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 O2 P2 -","- C38 H42 O2 P2 -","- C152 H168 O8 P8 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0952","0.0492","","","0.0805","0.0912","","","","","","1.03","","","","has coordinates","251719","2020-10-21","18:00:00",""
"7157422","8.8154","0.0007","11.3911","0.0009","24.121","0.002","90","","90","","90","","2422.2","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 O3 P -","- C26 H33 O3 P -","- C104 H132 O12 P4 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0773","0.0443","","","0.0963","0.1113","","","","","","1.028","","","","has coordinates","251719","2020-10-21","18:00:00",""
"7157423","14.276","0.014","14.392","0.012","11.161","0.011","90","","94.34","0.04","90","","2287","4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O2 S -","- C28 H28 N2 O2 S -","- C112 H112 N8 O8 S4 -","4","1","","Zakharov, A. V.; Yadykov, A. V.; Lvov, A. G.; Mitina, E. A.; Shirinian, V. Z.","Photochemical rearrangement of diarylethenes: synthesis of functionalized phenanthrenes.","Organic & biomolecular chemistry","2020","18","16","3098","3103","10.1039/d0ob00296h","","","0.71073","MoKα","","0.1304","0.0801","","","0.2078","0.2428","","","","","","1.073","","","","has coordinates,has disorder","251721","2020-10-21","18:00:00",""
"7157424","9.531","0.0005","7.0315","0.0004","21.6758","0.0012","90","","93.267","0.002","90","","1450.29","0.14","302","2","302.56","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzamide derivative","4-(quinolin-2-ylcarbamoyl)phenyl acetate","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Ritu, ?; Sharma, Charu; Kumar, Sharvan; Jain, Nidhi","Singlet oxygen mediated dual C-C and C-N bond cleavage in visible light.","Organic & biomolecular chemistry","2020","18","15","2921","2928","10.1039/d0ob00563k","","","0.71073","MoKα","","0.0538","0.051","","","0.1454","0.1482","","","","","","1.069","","","","has coordinates","251731","2020-10-21","18:00:00",""
"7157425","31.975","0.004","7.5139","0.001","20.464","0.003","90","","115.609","0.002","90","","4433.6","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7,8,17,18-tetrakis(trifluoromethyl)-5,10,15,20-tetraphenylporphyrin toluene solvate","","- C55 H34 F12 N4 -","- C55 H34 F12 N4 -","- C220 H136 F48 N16 -","4","0.5","","Thomas, Kolle E.; Conradie, Jeanet; Beavers, Christine M.; Ghosh, Abhik","Free-base porphyrins with localized NH protons. Can substituents alone stabilize the elusive cis tautomer?","Organic & biomolecular chemistry","2020","18","15","2861","2865","10.1039/d0ob00452a","","","0.7749","synchrotron","","0.081","0.064","","","0.1783","0.1896","","","","","","1.027","","","","has coordinates,has disorder","251736","2020-10-21","18:00:00",""
"7157426","9.0309","0.0004","13.028","0.0005","19.9637","0.0008","99.064","0.002","98.729","0.002","91.614","0.002","2289.36","0.16","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C25 H29 N O4 -","- C25 H29 N O4 -","- C100 H116 N4 O16 -","4","4","","Chen, Jian-Ping; Xu, Ming-Hua","Chiral diene-promoted room temperature conjugate arylation: highly enantioselective synthesis of substituted chiral phenylalanine derivatives and α,α-di(arylmethyl)acetates.","Organic & biomolecular chemistry","2020","18","24","4569","4574","10.1039/d0ob00616e","","","1.54178","CuKα","","0.072","0.0702","","","0.2066","0.211","","","","","","1.036","","","","has coordinates,has disorder","253972","2020-10-21","18:00:00",""
"7157427","6.0742","0.0007","8.6056","0.001","43.665","0.005","90","","90","","90","","2282.5","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 O2 S -","- C28 H28 O2 S -","- C112 H112 O8 S4 -","4","1","","Chen, Jian-Ping; Xu, Ming-Hua","Chiral diene-promoted room temperature conjugate arylation: highly enantioselective synthesis of substituted chiral phenylalanine derivatives and α,α-di(arylmethyl)acetates.","Organic & biomolecular chemistry","2020","18","24","4569","4574","10.1039/d0ob00616e","","","0.71073","MoKα","","0.1762","0.0603","","","0.083","0.114","","","","","","0.907","","","","has coordinates","253972","2020-10-21","18:00:00",""
"7157428","9.778","0.0002","10.6122","0.0002","11.1756","0.0002","103.043","0.001","104.128","0.002","92.353","0.002","1089.87","0.04","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","","Li, Ming; Yao, Tian-Yu; Sun, Sheng-Zheng; Yan, Ting-Xun; Wen, Li-Rong; Zhang, Lin-Bao","The ruthenium(ii)-catalyzed C-H olefination of indoles with alkynes: the facile construction of tetrasubstituted alkenes under aqueous conditions.","Organic & biomolecular chemistry","2020","18","16","3158","3163","10.1039/d0ob00508h","","x-ray","1.54184","CuKα","","0.043","0.0395","","","0.1026","0.1067","","","","","","1.066","","","","has coordinates","251722","2020-10-21","18:00:00",""
"7157429","9.707","0.009","11.145","0.01","21.59","0.016","93.42","0.02","100.93","0.02","100.11","0.02","2247","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N3 O -","- C29 H21 N3 O -","- C116 H84 N12 O4 -","4","2","","Meesa, Siddi Ramulu; Naikawadi, Praveen Kumar; Gugulothu, Kishan; Kota, Shiva Kumar","Catalyst and solvent switched divergent C−H functionalization: oxidative annulation of N-aryl substituted quinazolin-4-amine with alkynes","Organic & Biomolecular Chemistry","2020","","","","","10.1039/D0OB00318B","","","0.71073","MoKα","","0.143","0.054","","","0.1231","0.1645","","","","","","0.991","","","","has coordinates","249816","2020-10-21","18:00:00",""
"7157430","9.9378","0.0003","11.6946","0.0004","18.4106","0.0007","90","","97.113","0.001","90","","2123.19","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 N3 -","- C28 H19 N3 -","- C112 H76 N12 -","4","1","","Meesa, Siddi Ramulu; Naikawadi, Praveen Kumar; Gugulothu, Kishan; Kota, Shiva Kumar","Catalyst and solvent switched divergent C−H functionalization: oxidative annulation of N-aryl substituted quinazolin-4-amine with alkynes","Organic & Biomolecular Chemistry","2020","","","","","10.1039/D0OB00318B","","","0.71073","MoKα","","0.0679","0.039","","","0.0908","0.1014","","","","","","0.951","","","","has coordinates","249816","2020-10-21","18:00:00",""
"7157431","8.3154","0.0014","20.34","0.004","17.962","0.003","90","","101.759","0.003","90","","2974.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N5 O4 S -","- C32 H33 N5 O4 S -","- C128 H132 N20 O16 S4 -","4","1","","Rong, Jing; Jiang, Hao; Wang, Sijing; Su, Zhenni; Wang, Huiyan; Tao, Chuanzhou","Metal-free cascade reactions of aziridines with arylalkynes and aryldiazoniums: facile access to arylazopyrrolines.","Organic & biomolecular chemistry","2020","18","16","3149","3157","10.1039/d0ob00346h","","","0.71073","MoKα","","0.1548","0.0592","","","0.1285","0.1675","","","","","","0.983","","","","has coordinates","251723","2020-10-21","18:00:00",""
"7157432","14.818","0.006","11.92","0.005","16.557","0.007","90","","91.828","0.007","90","","2923","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cl0 N3 O4 S -","- C32 H29 N3 O4 S -","- C128 H116 N12 O16 S4 -","4","1","","Rong, Jing; Jiang, Hao; Wang, Sijing; Su, Zhenni; Wang, Huiyan; Tao, Chuanzhou","Metal-free cascade reactions of aziridines with arylalkynes and aryldiazoniums: facile access to arylazopyrrolines.","Organic & biomolecular chemistry","2020","18","16","3149","3157","10.1039/d0ob00346h","","","0.71073","MoKα","","0.1153","0.0496","","","0.1137","0.1434","","","","","","0.987","","","","has coordinates","251723","2020-10-21","18:00:00",""
"7157433","6.0543","0.0009","8.5333","0.0014","34.582","0.006","90","","90","","90","","1786.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","","Pan, Changduo; Huang, Gao; Shan, Yujia; Li, Yiting; Yu, Jin-Tao","Rh(iii)-Catalyzed regioselective C4 alkylation of indoles with allylic alcohols: direct access to β-indolyl ketones.","Organic & biomolecular chemistry","2020","18","16","3038","3042","10.1039/d0ob00396d","","","0.71073","MoKα","","0.1121","0.0779","","","0.2075","0.2301","","","","","","1.078","","","","has coordinates","251725","2020-10-21","18:00:00",""
"7157434","14.1097","0.0004","10.9238","0.0003","17.0344","0.0005","90","","94.326","0.003","90","","2618.06","0.13","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl2 F2 N4 Si -","- C27 H28 Cl2 F2 N4 Si -","- C108 H112 Cl8 F8 N16 Si4 -","4","1","","Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups.","Organic & biomolecular chemistry","2020","18","17","3239","3242","10.1039/d0ob00484g","","x-ray","0.71073","MoKα","","0.0894","0.0818","","","0.2105","0.2219","","","","","","1.047","","","","has coordinates","252910","2020-10-21","18:00:00",""
"7157435","9.0006","0.0003","16.2355","0.0004","14.0783","0.0004","90","","96.804","0.003","90","","2042.76","0.1","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl2 F2 N2 Si -","- C23 H18 Cl2 F2 N2 Si -","- C92 H72 Cl8 F8 N8 Si4 -","4","1","","Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups.","Organic & biomolecular chemistry","2020","18","17","3239","3242","10.1039/d0ob00484g","","x-ray","0.71073","MoKα","","0.0342","0.0302","","","0.0821","0.0843","","","","","","1.044","","","","has coordinates","252910","2020-10-21","18:00:00",""
"7157436","7.8983","0.0002","10.1395","0.0003","14.2203","0.0004","80.924","0.002","74.043","0.002","85.365","0.002","1080.4","0.05","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F8 N2 Si -","- C24 H14 F8 N2 Si -","- C48 H28 F16 N4 Si2 -","2","1","","Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups.","Organic & biomolecular chemistry","2020","18","17","3239","3242","10.1039/d0ob00484g","","x-ray","0.71073","MoKα","","0.0512","0.0449","","","0.1152","0.1202","","","","","","1.061","","","","has coordinates,has disorder","252910","2020-10-21","18:00:00",""
"7157437","5.5623","0.0003","8.7434","0.0004","17.6707","0.0008","90","","96.868","0.002","90","","853.22","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H14 Cl N O3 S -","- C19 H14 Cl N O3 S -","- C38 H28 Cl2 N2 O6 S2 -","2","1","","Wang, Mei-Xin; Liu, Juan; Liu, Zhen; Wang, Yingcheng; Yang, Qi-Qiong; Shan, Wenyu; Deng, Yu-Hua; Shao, Zhihui","Enantioselective synthesis of chiral α-alkynylated thiazolidones by tandem S-addition/acetalization of alkynyl imines.","Organic & biomolecular chemistry","2020","18","16","3117","3124","10.1039/d0ob00365d","","","1.54178","CuKα","","0.0442","0.0423","","","0.1046","0.1071","","","","","","1.05","","","","has coordinates","251724","2020-10-21","18:00:00",""
"7157438","5.5984","0.0001","11.093","0.0002","12.6395","0.0003","93.034","0.001","97.303","0.001","99.705","0.001","765.22","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-(Benzyloxy)propyl)-8-bromo-1H-purine-2,6(3H,7H)-dione","","- C15 H15 Br N4 O3 -","- C15 H15 Br N4 O3 -","- C30 H30 Br2 N8 O6 -","2","1","","Pretze, Marc; Neuber, Christin; Kinski, Elisa; Belter, Birgit; Köckerling, Martin; Caflisch, Amedeo; Steinbach, Jörg; Pietzsch, Jens; Mamat, Constantin","Synthesis, radiolabelling and initial biological characterisation of <sup>18</sup>F-labelled xanthine derivatives for PET imaging of Eph receptors.","Organic & biomolecular chemistry","2020","18","16","3104","3116","10.1039/d0ob00391c","","","0.71073","MoKα","","0.045","0.0296","","","0.0759","0.0808","","","","","","1.029","","","","has coordinates","251720","2020-10-21","18:00:00",""
"7157439","10.3","0.0006","7.5991","0.0006","9.0926","0.0006","90","","95.806","0.004","90","","708.03","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-(Methoxy)propyl)urea","","- C10 H24 N4 O4 -","- C10 H24 N4 O4 -","- C20 H48 N8 O8 -","2","0.5","","Pretze, Marc; Neuber, Christin; Kinski, Elisa; Belter, Birgit; Köckerling, Martin; Caflisch, Amedeo; Steinbach, Jörg; Pietzsch, Jens; Mamat, Constantin","Synthesis, radiolabelling and initial biological characterisation of <sup>18</sup>F-labelled xanthine derivatives for PET imaging of Eph receptors.","Organic & biomolecular chemistry","2020","18","16","3104","3116","10.1039/d0ob00391c","","","0.71073","MoKα","","0.0415","0.0348","","","0.0895","0.094","","","","","","1.059","","","","has coordinates","251720","2020-10-21","18:00:00",""
"7157440","9.768","0.002","5.0226","0.001","17.193","0.003","90","","95.43","0.03","90","","839.7","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 N2 S -","- C22 H18 N2 S -","- C44 H36 N4 S2 -","2","1","","Jiang, Jingjing; Tuo, Xiaolong; Fu, Zhuquan; Huang, Huawen; Deng, Guo-Jun","Three-component synthesis of 1,4-benzothiazines via iodide-catalyzed aerobic C-H sulfuration with elemental sulfur.","Organic & biomolecular chemistry","2020","18","17","3234","3238","10.1039/d0ob00074d","","","0.71073","MoKα","","0.0813","0.0696","","","0.1288","0.1363","","","","","","1.125","","","","has coordinates","252903","2020-10-21","18:00:00",""
"7157441","5.6311","0.0005","16.1768","0.0013","18.5883","0.0014","90","","90.132","0.007","90","","1693.3","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo","Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.","Organic & biomolecular chemistry","2020","18","16","3177","3189","10.1039/d0ob00087f","","","0.710689","MoKα","","0.1089","0.0552","","","0.1007","0.1226","","","","","","0.951","","","","has coordinates","251718","2020-10-21","18:00:00",""
"7157442","19.7918","0.0006","8.177","0.0002","24.1081","0.0007","90","","107.785","0.003","90","","3715.14","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","2","","Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo","Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.","Organic & biomolecular chemistry","2020","18","16","3177","3189","10.1039/d0ob00087f","","","0.710689","MoKα","","0.0586","0.0424","","","0.1043","0.1148","","","","","","1.054","","","","has coordinates","251718","2020-10-21","18:00:00",""
"7157443","6.576","0.0004","16.9049","0.001","17.5937","0.0008","90","","90","","90","","1955.83","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 N2 O2 S -","- C24 H18 N2 O2 S -","- C96 H72 N8 O8 S4 -","4","1","","Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo","Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.","Organic & biomolecular chemistry","2020","18","16","3177","3189","10.1039/d0ob00087f","","","0.710689","MoKα","","0.0869","0.0594","","","0.1246","0.1399","","","","","","1.04","","","","has coordinates","251718","2020-10-21","18:00:00",""
"7157444","14.1114","0.0013","5.6423","0.0005","25.433","0.002","90","","98.033","0.003","90","","2005.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dibenzyl disulfanylsulfone","1-(4-Bromobenzyl)-2-[(4-bromophenyl)(phenylsulfonyl)methyl]disulfane","","- C20 H16 Br2 O2 S3 -","- C20 H16 Br2 O2 S3 -","- C80 H64 Br8 O8 S12 -","4","1","","Jannapu Reddy, Raju; Waheed, Md; Rama Krishna, Gamidi","Phenylboronic acid-catalyzed tandem construction of S-S and C-S bonds: a new method for the synthesis of benzyl disulfanylsulfone derivatives from S-benzyl thiosulfonates.","Organic & biomolecular chemistry","2020","18","17","3243","3248","10.1039/d0ob00442a","","","0.71073","MoKα","","0.0198","0.0179","","","0.0432","0.044","","","","","","1.034","","","","has coordinates","252902","2020-10-21","18:00:00",""
"7157445","9.8538","0.0017","10.2156","0.0017","18.572","0.003","90","","102.789","0.017","90","","1823.1","0.5","293.31","0.1","293.31","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N2 O3 -","- C22 H17 N2 O3 -","- C88 H68 N8 O12 -","4","1","","Dagar, Anuradha; Seo, Yohan; Namkung, Wan; Kim, Ikyon","A domino annulation approach to 3,4-diacylpyrrolo[1,2-a]pyrazines: decoration of pyrazine units.","Organic & biomolecular chemistry","2020","18","17","3324","3333","10.1039/d0ob00444h","","x-ray","0.71073","MoKα","","0.1476","0.0713","","","0.142","0.1763","","","","","","1.048","","","","has coordinates,has disorder","252900","2020-10-21","18:00:00",""
"7157446","7.3519","0.0009","7.7182","0.0012","13.473","0.002","90.118","0.005","98.358","0.004","94.483","0.004","754","0.19","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C34 H30 N2 O4 S2 -","2","1","","Antony Savarimuthu, S.; Leo Prakash, D. G.; Augustine Thomas, S.; Gandhi, Thirumanavelan; Bera, Mrinal K.","Highly Z-selective synthesis of 1,3-oxathiol-2-ylidenes and 4-methylene-oxazolidine-2-thiones via atom-specific 5-exo-dig cyclization of propargyl alcohol with isothiocyanate.","Organic & biomolecular chemistry","2020","18","18","3552","3562","10.1039/d0ob00083c","","","0.71073","MoKα","","0.1053","0.0454","","","0.0955","0.1158","","","","","","1.006","","","","has coordinates","252926","2020-10-21","18:00:00",""
"7157447","9.729","0.005","9.766","0.005","10.945","0.006","67.938","0.014","81.05","0.014","73.602","0.014","923.1","0.8","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl N O S -","- C22 H16 Cl N O S -","- C44 H32 Cl2 N2 O2 S2 -","2","1","","Antony Savarimuthu, S.; Leo Prakash, D. G.; Augustine Thomas, S.; Gandhi, Thirumanavelan; Bera, Mrinal K.","Highly Z-selective synthesis of 1,3-oxathiol-2-ylidenes and 4-methylene-oxazolidine-2-thiones via atom-specific 5-exo-dig cyclization of propargyl alcohol with isothiocyanate.","Organic & biomolecular chemistry","2020","18","18","3552","3562","10.1039/d0ob00083c","","","0.71073","MoKα","","0.0533","0.0467","","","0.1261","0.1349","","","","","","0.943","","","","has coordinates","252926","2020-10-21","18:00:00",""
"7157448","7.656","0.004","21.804","0.01","10.011","0.005","90","","106.066","0.018","90","","1605.9","1.4","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl2 N O S -","- C17 H13 Cl2 N O S -","- C68 H52 Cl8 N4 O4 S4 -","4","1","","Antony Savarimuthu, S.; Leo Prakash, D. G.; Augustine Thomas, S.; Gandhi, Thirumanavelan; Bera, Mrinal K.","Highly Z-selective synthesis of 1,3-oxathiol-2-ylidenes and 4-methylene-oxazolidine-2-thiones via atom-specific 5-exo-dig cyclization of propargyl alcohol with isothiocyanate.","Organic & biomolecular chemistry","2020","18","18","3552","3562","10.1039/d0ob00083c","","","0.71073","MoKα","","0.0592","0.0538","","","0.1571","0.1703","","","","","","0.657","","","","has coordinates","252926","2020-10-21","18:00:00",""
"7157449","13.132","0.003","8.2538","0.0017","20.537","0.004","90","","105.43","0.03","90","","2145.8","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl N O3 S -","- C25 H20 Cl N O3 S -","- C100 H80 Cl4 N4 O12 S4 -","4","1","","Lu, Tianyu; Zhang, Xuange; Miao, Zhiwei","Synthesis of methylene cyclopropane-fused chromenes and dihydroquinolines by sequential [4 + 2]- and [1 + 2]-annulation.","Organic & biomolecular chemistry","2020","18","17","3303","3311","10.1039/d0ob00389a","","","0.71073","MoKα","","0.0491","0.0392","","","0.1089","0.1297","","","","","","1.054","","","","has coordinates","252904","2020-10-21","18:00:00",""
"7157450","9.5548","0.0019","10.071","0.002","10.634","0.002","100.86","0.03","104.43","0.03","105.69","0.03","917.5","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C50 H36 O6 -","2","1","","Lu, Tianyu; Zhang, Xuange; Miao, Zhiwei","Synthesis of methylene cyclopropane-fused chromenes and dihydroquinolines by sequential [4 + 2]- and [1 + 2]-annulation.","Organic & biomolecular chemistry","2020","18","17","3303","3311","10.1039/d0ob00389a","","","0.71073","MoKα","","0.0779","0.0563","","","0.1485","0.1687","","","","","","1.03","","","","has coordinates","252904","2020-10-21","18:00:00",""
"7157451","29.831","0.004","11.148","0.0006","14.9443","0.0019","90","","133.61","0.02","90","","3598.4","1.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C192 H128 O16 -","8","1","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0656","0.048","","","0.1334","0.1501","","","","","","1.036","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157452","21.9993","0.0004","12.5762","0.0003","13.8028","0.0003","90","","90","","90","","3818.79","0.14","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C200 H144 O24 -","8","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0521","0.0422","","","0.1094","0.1193","","","","","","1.022","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157453","11.8769","0.0008","11.865","0.0006","14.2912","0.0011","90","","110.026","0.008","90","","1892.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 F3 O2 -","- C24 H13 F3 O2 -","- C96 H52 F12 O8 -","4","1","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.08","0.0605","","","0.1653","0.1862","","","","","","1.04","","","","has coordinates,has disorder","252908","2020-10-21","18:00:00",""
"7157454","21.9897","0.0006","12.2777","0.0003","13.5508","0.0004","90","","90","","90","","3658.48","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H15 F O3 -","- C24 H15 F O3 -","- C192 H120 F8 O24 -","8","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0573","0.0421","","","0.1018","0.1161","","","","","","1.021","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157455","10.9195","0.0008","11.7513","0.0007","14.206","0.0006","87.69","0.005","77.763","0.005","71.943","0.006","1693.1","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H14 O2 -","- C23 H14 O2 -","- C92 H56 O8 -","4","2","","Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie","A visible-light-induced ""on-off"" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.","Organic & biomolecular chemistry","2020","18","17","3346","3353","10.1039/d0ob00479k","","x-ray","1.54184","CuKα","","0.0637","0.0473","","","0.1252","0.1428","","","","","","1.018","","","","has coordinates","252908","2020-10-21","18:00:00",""
"7157456","19.7751","0.0007","7.6977","0.0003","13.7091","0.0005","90","","104.859","0.004","90","","2017.05","0.13","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H28 O2 Si -","- C22 H28 O2 Si -","- C88 H112 O8 Si4 -","4","1","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","","0.71073","MoKα","","0.0275","0.0268","","","0.0715","0.072","","","","","","1.082","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157457","9.8166","0.0004","12.8538","0.0005","14.9915","0.0007","90","","98.444","0.004","90","","1871.13","0.14","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71073","MoKα","","0.0619","0.0562","","","0.1483","0.1528","","","","","","1.058","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157458","7.1033","0.0014","15.7","0.003","10.748","0.002","90","","90.224","0.006","90","","1198.6","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 O2 Si -","- C10 H19 O2 Si -","- C40 H76 O8 Si4 -","4","1","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71075","MoKα","","0.097","0.0694","","","0.1738","0.1941","","","","","","1.075","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157459","7.0479","0.0002","10.1584","0.0004","11.6894","0.0004","91.402","0.003","99.676","0.003","96.997","0.003","817.99","0.05","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H50 O8 -","- C34 H50 O8 -","- C34 H50 O8 -","1","0.5","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71073","MoKα","","0.0556","0.0451","","","0.1187","0.1254","","","","","","1.029","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157460","7.3875","0.0002","9.2832","0.0003","11.5913","0.0003","103.164","0.003","95.845","0.002","95.145","0.002","764.77","0.04","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H50 O8 -","- C34 H50 O8 -","- C34 H50 O8 -","1","0.5","","Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide","Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.","Organic & biomolecular chemistry","2020","18","17","3297","3302","10.1039/d0ob00501k","","x-ray","0.71073","MoKα","","0.0397","0.035","","","0.0904","0.0932","","","","","","1.046","","","","has coordinates","252907","2020-10-21","18:00:00",""
"7157461","9.317","0.0009","18.704","0.002","13.6865","0.0014","90","","93.967","0.004","90","","2379.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N O -","- C27 H33 N O -","- C108 H132 N4 O4 -","4","1","","Rayaroth, Amritha; Singh, Rajat Kumar; A V, Kalyanakrishnan; Hari, Krishna; Kaliyamoorthy, Alagiri","Base-promoted 1,6-conjugate addition of alkylazaarenes to para-quinone methides.","Organic & biomolecular chemistry","2020","18","17","3354","3359","10.1039/d0ob00419g","","","0.71073","MoKα","","0.0955","0.0569","","","0.1319","0.1646","","","","","","1.038","","","","has coordinates","252899","2020-10-21","18:00:00",""
"7157462","5.5878","0.0007","10.8004","0.0011","13.7039","0.0012","105.531","0.008","91.027","0.009","101.719","0.01","777.93","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-chloro-6-(p-tolyl)phenanthridine","","- C20 H14 Cl N -","- C20 H14 Cl N -","- C40 H28 Cl2 N2 -","2","1","","Fang, Benyao; Hou, Jiao; Tian, Jinyue; Yu, Wenquan; Chang, Junbiao","Synthesis of phenanthridines by I<sub>2</sub>-mediated sp<sup>3</sup> C-H amination.","Organic & biomolecular chemistry","2020","18","17","3312","3323","10.1039/d0ob00433b","","x-ray","1.54184","CuKα","","0.0764","0.0559","","","0.1624","0.1918","","","","","","1.015","","","","has coordinates","252898","2020-10-21","18:00:00",""
"7157463","8.3958","0.0001","10.3211","0.0002","33.5425","0.0005","90","","91.208","0.001","90","","2905.94","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Br N3 O6 -","- C31 H32 Br N3 O6 -","- C124 H128 Br4 N12 O24 -","4","1","","Ao, Chaoqun; Huang, Jingjing; Xu, Xinfang; Jia, Shikun; Kang, Zhenghui; Hu, Wenhao","A Rh-catalyzed three-component reaction for the diastereoselective synthesis of pyrazolone derivatives with contiguous quaternary stereocenters.","Organic & biomolecular chemistry","2020","18","18","3466","3470","10.1039/d0ob00482k","","x-ray","1.54184","CuKα","","0.0704","0.0647","","","0.1481","0.1546","","","","","","1.073","","","","has coordinates","252924","2020-10-21","18:00:00",""
"7157464","8.6541","0.0005","5.7809","0.0003","33.543","0.002","90","","97.281","0.004","90","","1664.57","0.16","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4Z)-2,4-diphenyl-8,9-dihydrocycloocta[b]furan-6(7H)-one","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Dos Santos, Emerson E. F.; de Souza, Gabriela F. P.; Simoni, Deborah A.; Salles, Jr, Airton G","A base-promoted tandem approach to bicyclic 8-membered ring ketones.","Organic & biomolecular chemistry","2020","18","17","3249","3253","10.1039/d0ob00618a","","","1.54178","CuKα","","0.0751","0.0584","","","0.1262","0.1326","","","","","","1.13","","","","has coordinates","252901","2020-10-21","18:00:00",""
"7157465","11.5618","0.0005","20.0595","0.001","20.7439","0.001","90","","90","","90","","4811","0.4","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 N4 O2 S -","- C26 H22 N4 O2 S -","- C104 H88 N16 O8 S4 -","4","1","","Yang, Zhen; He, Jing; Wei, Yueting; Li, Weiwei; Liu, Ping","KI/TBHP-promoted [3 + 2] cycloaddition of pyrrolo[1,2-a]quinoxalines and N-arylsulfonylhydrazones.","Organic & biomolecular chemistry","2020","18","17","3360","3366","10.1039/d0ob00494d","","","0.71073","MoKα","","0.1026","0.0924","","","0.2486","0.2593","","","","","","1.096","","","","has coordinates","252909","2020-10-21","18:00:00",""
"7157466","7.1117","0.0014","14.251","0.003","7.5497","0.0015","90","","102.83","0.03","90","","746","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5ad","","- C16 H11 N5 O2 -","- C16 H11 N5 O2 -","- C32 H22 N10 O4 -","2","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0631","0.0401","","","0.0721","0.0777","","","","","","1.03","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157467","9.6779","0.0019","15.962","0.003","12.006","0.002","90","","108.7","0.03","90","","1756.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7ab","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C76 H72 N16 O8 -","4","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0959","0.0584","","","0.1333","0.1495","","","","","","1.027","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157468","14.942","0.003","12.891","0.003","17.93","0.004","90","","90","","90","","3453.6","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7ae","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C152 H144 N32 O24 -","8","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0887","0.0512","","","0.0993","0.1121","","","","","","1.038","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157469","13.151","0.003","18.198","0.004","19.461","0.004","90","","90","","90","","4657.4","1.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6ea","","- C28 H23 N3 S -","- C28 H23 N3 S -","- C224 H184 N24 S8 -","8","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0923","0.052","","","0.1038","0.1171","","","","","","1.016","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157470","13.7872","0.0009","11.4491","0.0007","7.3967","0.0005","90","","101.273","0.003","90","","1145.05","0.13","100","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","","Calatrava-Pérez, Elena; Acherman, Stefan; Stricker, Lucas; McManus, Gavin; Delente, Jason; Lynes, Amy D.; Henwood, Adam F.; Lovitt, June I.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Kotova, Oxana; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Fluorescent supramolecular hierarchical self-assemblies from glycosylated 4-amino- and 4-bromo-1,8-naphthalimides.","Organic & biomolecular chemistry","2020","18","18","3475","3480","10.1039/d0ob00033g","","x-ray","1.54178","CuKα","","0.104","0.0957","","","0.207","0.211","","","","","","1.179","","","","has coordinates,has disorder","252925","2020-10-21","18:00:00",""
"7157471","4.6972","0.0002","11.9618","0.0005","15.7954","0.0007","81.534","0.003","86.654","0.004","84.89","0.003","873.41","0.07","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br N O2 -","- C20 H22 Br N O2 -","- C40 H44 Br2 N2 O4 -","2","1","","Calatrava-Pérez, Elena; Acherman, Stefan; Stricker, Lucas; McManus, Gavin; Delente, Jason; Lynes, Amy D.; Henwood, Adam F.; Lovitt, June I.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Kotova, Oxana; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Fluorescent supramolecular hierarchical self-assemblies from glycosylated 4-amino- and 4-bromo-1,8-naphthalimides.","Organic & biomolecular chemistry","2020","18","18","3475","3480","10.1039/d0ob00033g","","","1.54178","CuKα","","0.0839","0.0732","","","0.1867","0.1935","","","","","","1.136","","","","has coordinates,has disorder","252925","2020-10-21","18:00:00",""
"7157472","4.4247","0.0003","16.1174","0.001","19.4957","0.0013","99.692","0.002","94.484","0.002","92.775","0.002","1363.61","0.16","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Br2 N2 O4 -","- C32 H27.9983 Br2.0024 N2 O4 -","- C64 H55.9966 Br4.0048 N4 O8 -","2","1","","Calatrava-Pérez, Elena; Acherman, Stefan; Stricker, Lucas; McManus, Gavin; Delente, Jason; Lynes, Amy D.; Henwood, Adam F.; Lovitt, June I.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Kotova, Oxana; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Fluorescent supramolecular hierarchical self-assemblies from glycosylated 4-amino- and 4-bromo-1,8-naphthalimides.","Organic & biomolecular chemistry","2020","18","18","3475","3480","10.1039/d0ob00033g","","x-ray","1.54178","CuKα","","0.042","0.041","","","0.1059","0.1066","","","","","","1.098","","","","has coordinates,has disorder","252925","2020-10-21","18:00:00",""
"7157473","5.5466","0.0001","9.9811","0.0002","27.5422","0.0005","90","","91.085","0.002","90","","1524.5","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C72 H72 O12 S4 -","4","1","","Lin, Qifu; Yao, Yongqi; Yang, Wen; Tan, Yun; Chen, Shuqi; Chen, Donghan; Yang, Dingqiao","Copper-catalyzed diastereoselective hydrothioetherification of oxa(aza)benzonorbornadienes.","Organic & biomolecular chemistry","2020","18","18","3575","3584","10.1039/d0ob00659a","","x-ray","1.54184","CuKα","","0.0441","0.0404","","","0.1143","0.1178","","","","","","1.069","","","","has coordinates","252922","2020-10-21","18:00:00",""
"7157474","10.5718","0.0013","10.6288","0.0012","13.5806","0.0017","100.473","0.01","97.068","0.01","103.526","0.01","1436.9","0.3","295","2","295","2","","","","","","","none","4","P -1","-P 1","2","none","Methyl (1R,3S,5r,7r)-8'-(4-methylbenzoyl)-4',4'-diphenyl-4'H-spiro-[adamantane-2,2'-pyrazolo[5,1-d][1,3,5]dioxazine]-7'-carboxylate","","- C35 H32 N2 O5 -","- C35 H32 N2 O5 -","- C70 H64 N4 O10 -","2","1","","Zhulanov, Vladimir E.; Vigovskaya, Valeria A.; Dmitriev, Maksim V.; Silaichev, Pavel S.; Maslivets, Andrey N.; Rubin, Michael","Dipyrazolodioxadiazocines as shelf-stable ""ready-to-use"" precursors for an in situ generation of enolate-iminium 1,4-dipoles: a straightforward atom-economical approach to pyrazolo[5,1-d][1,3,5]dioxazines.","Organic & biomolecular chemistry","2020","18","17","3382","3391","10.1039/d0ob00451k","","","0.71073","MoKα","","0.0726","0.0523","","","0.1289","0.1459","","","","","","1.064","","","","has coordinates","252905","2020-10-21","18:00:00",""
"7157475","9.2689","0.0014","9.782","0.0012","35.199","0.003","94.886","0.009","92.57","0.01","115.038","0.013","2869.4","0.7","295","2","295","2","","","","","","","none","4","P -1","-P 1","2","none","Methyl 8'-(4-methylbenzoyl)-4',4'-diphenyl-4'H-spiro[cyclohexane-1,2'-pyrazolo[5,1-d][1,3,5]dioxazine]-7'-carboxylate","","- C66 H66 N4 O11 -","- C66 H66 N4 O11 -","- C132 H132 N8 O22 -","2","1","","Zhulanov, Vladimir E.; Vigovskaya, Valeria A.; Dmitriev, Maksim V.; Silaichev, Pavel S.; Maslivets, Andrey N.; Rubin, Michael","Dipyrazolodioxadiazocines as shelf-stable ""ready-to-use"" precursors for an in situ generation of enolate-iminium 1,4-dipoles: a straightforward atom-economical approach to pyrazolo[5,1-d][1,3,5]dioxazines.","Organic & biomolecular chemistry","2020","18","17","3382","3391","10.1039/d0ob00451k","","","0.71073","MoKα","","0.1265","0.0759","","","0.1856","0.2195","","","","","","1.016","","","","has coordinates,has disorder","252905","2020-10-21","18:00:00",""
"7157476","9.3467","0.0019","11.887","0.002","11.887","0.002","97.25","","97.072","0.002","97.072","0.002","1287.2","0.4","298","2","298","2","","","","","","","","9","P -1","-P 1","2","","","","- C21 H26 Br Cl F6 N2 P Rh Se -","- C21 H26 Br Cl F6 N2 P Rh Se -","- C42 H52 Br2 Cl2 F12 N4 P2 Rh2 Se2 -","2","1","","Sharma, Charu; Srivastava, Avinash Kumar; Sharma, Kamal Nayan; Joshi, Raj Kumar","Half-sandwich (η<sup>5</sup>-Cp*)Rh(iii) complexes of pyrazolated organo-sulfur/selenium/tellurium ligands: efficient catalysts for base/solvent free C-N coupling of chloroarenes under aerobic conditions.","Organic & biomolecular chemistry","2020","18","18","3599","3606","10.1039/d0ob00538j","","","0.71073","MoKα","","0.0566","0.0373","","","0.0782","0.0835","","","","","","0.971","","","","has coordinates","252923","2020-10-21","18:00:00",""
"7157477","12.562","0.003","11.151","0.002","19.041","0.004","90","","91.874","0.003","90","","2665.8","1","298","2","298","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C21 H26 Br Cl F6 N2 P Rh S -","- C21 H26 Br Cl F6 N2 P Rh S -","- C84 H104 Br4 Cl4 F24 N8 P4 Rh4 S4 -","4","1","","Sharma, Charu; Srivastava, Avinash Kumar; Sharma, Kamal Nayan; Joshi, Raj Kumar","Half-sandwich (η<sup>5</sup>-Cp*)Rh(iii) complexes of pyrazolated organo-sulfur/selenium/tellurium ligands: efficient catalysts for base/solvent free C-N coupling of chloroarenes under aerobic conditions.","Organic & biomolecular chemistry","2020","18","18","3599","3606","10.1039/d0ob00538j","","","0.71073","MoKα","","0.0544","0.0477","","","0.1033","0.1057","","","","","","1.068","","","","has coordinates","252923","2020-10-21","18:00:00",""
"7157478","5.7568","0.0004","25.3971","0.0013","13.5914","0.0008","90","","98.147","0.002","90","","1967.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","phenylselanyl azaspiro decatrienedione","1-methyl-4-phenyl-3-((3-(trifluoromethyl)phenyl)selanyl)-1-azaspiro [4.5]deca-3,6,9-triene-2,8-dione","","- C23 H16 F3 N O2 Se -","- C23 H16 F3 N O2 Se -","- C92 H64 F12 N4 O8 Se4 -","4","1","","Recchi, Ana Maria S.; Rosa, Pedro H. P.; Back, Davi F.; Zeni, Gilson","Selenium-promoted electrophilic cyclization of arylpropiolamides: synthesis of 3-organoselenyl spiro[4,5]trienones.","Organic & biomolecular chemistry","2020","18","18","3544","3551","10.1039/d0ob00609b","","","0.71073","MoKα","","0.0608","0.041","","","0.0915","0.0981","","","","","","1.053","","","","has coordinates","252927","2020-10-21","18:00:00",""
"7157479","9.6477","0.0005","14.9116","0.0008","13.3181","0.0007","90","","98.129","0.002","90","","1896.73","0.17","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","azaspiro deca trienedione","1-methyl-4-phenyl-3-(phenylselanyl)-1-azaspiro[4.5]deca-3,7,9-triene-2,6-dione","","- C44 H34 N2 O4 Se2 -","- C44 H34 N2 O4 Se2 -","- C88 H68 N4 O8 Se4 -","2","1","","Recchi, Ana Maria S.; Rosa, Pedro H. P.; Back, Davi F.; Zeni, Gilson","Selenium-promoted electrophilic cyclization of arylpropiolamides: synthesis of 3-organoselenyl spiro[4,5]trienones.","Organic & biomolecular chemistry","2020","18","18","3544","3551","10.1039/d0ob00609b","","","0.71073","MoKα","","0.0546","0.0377","","","0.0994","0.1104","","","","","","1.028","","","","has coordinates","252927","2020-10-21","18:00:00",""
"7157480","18.987","0.004","25.021","0.006","7.087","0.0018","90","","90","","90","","3366.8","1.4","300","2","300","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C40 H32 N0 O12 -","- C40 H32 O12 -","- C160 H128 O48 -","4","0.25","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.0676","0.0466","","","0.1106","0.1232","","","","","","1.042","","","","has coordinates","252913","2020-10-21","18:00:00",""
"7157481","7.57","0.002","9.753","0.002","13.656","0.003","90","","102.23","0.03","90","","985.3","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","2","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.1115","0.0552","","","0.1277","0.1542","","","","","","0.951","","","","has coordinates","252913","2020-10-21","18:00:00",""
"7157482","25.689","0.005","10.003","0.002","7.418","0.002","90","0.03","105.62","0.03","90","0.03","1835.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H56 N8 O40 -","- C80 H56 N8 O40 -","- C80 H56 N8 O40 -","1","0.125","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.091","0.0536","","","0.1228","0.1473","","","","","","1.019","","","","has coordinates","252913","2020-10-21","18:00:00",""
"7157483","8.009","","9.607","","13.044","","94.77","","105.91","","108.25","","900.812","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 N2 O6 -","- C22 H14 N2 O6 -","- C44 H28 N4 O12 -","2","1","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.1281","0.0748","","","0.1975","0.2304","","","","","","1.03","","","","has coordinates","252913","2020-10-21","18:00:00",""
"7157484","24.1998","0.0014","12.37","0.0006","9.5879","0.0006","90","","119.944","0.008","90","","2487","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H23 Cl N2 O3 -","- C22 H23 Cl N2 O3 -","- C88 H92 Cl4 N8 O12 -","4","1","","Cui, Hao; Li, Ke; Wang, Yue; Song, Manman; Wang, Congcong; Wei, Donghui; Li, Er-Qing; Duan, Zheng; Mathey, François","Copper(i)/Ganphos catalysis: enantioselective synthesis of diverse spirooxindoles using iminoesters and alkyl substituted methyleneindolinones.","Organic & biomolecular chemistry","2020","18","19","3740","3746","10.1039/d0ob00546k","","x-ray","1.54184","CuKα","","0.0472","0.0448","","","0.1259","0.1291","","","","","","1.051","","","","has coordinates","252912","2020-10-21","18:00:00",""
"7157485","6.61847","0.00005","9.54","0.00006","44.1844","0.0003","90","","90","","90","","2789.81","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O4 -","- C29 H48 O3 -","- C116 H192 O12 -","4","1","","Xiao, Long-Gao; Zhang, Yu; Zhang, Hong-Li; Li, Ding; Gu, Qiong; Tang, Gui-Hua; Yu, Qian; An, Lin-Kun","Spiroconyone A, a new phytosterol with a spiro [5,6] ring system from Conyza japonica.","Organic & biomolecular chemistry","2020","18","27","5130","5136","10.1039/d0ob00666a","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0714","0.072","","","","","","1.038","","","","has coordinates","255090","2020-10-21","18:00:00",""
"7157486","8.3268","0.0014","9.2126","0.0013","9.6765","0.0016","83.964","0.005","73.197","0.005","73.333","0.005","680.55","0.19","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Br N O2 -","- C16 H11 Br N O2 -","- C32 H22 Br2 N2 O4 -","2","1","","Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Panyam, Pradeep Kumar Reddy; Yadav, Saurabh; Nagaraja, C. M.; Gandhi, Thirumanavelan","Acylation of oxindoles using methyl/phenyl esters via the mixed Claisen condensation - an access to 3-alkylideneoxindoles.","Organic & biomolecular chemistry","2020","18","20","3843","3847","10.1039/d0ob00789g","","","0.71073","MoKα","","0.0404","0.037","","","0.1032","0.1054","","","","","","1.062","","","","has coordinates","252917","2020-10-21","18:00:00",""
"7157487","11.1312","0.0004","8.2115","0.0004","16.7219","0.0007","90","","109.192","0.001","90","","1443.5","0.11","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N O3 -","- C17 H14 N O3 -","- C68 H56 N4 O12 -","4","1","","Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Panyam, Pradeep Kumar Reddy; Yadav, Saurabh; Nagaraja, C. M.; Gandhi, Thirumanavelan","Acylation of oxindoles using methyl/phenyl esters via the mixed Claisen condensation - an access to 3-alkylideneoxindoles.","Organic & biomolecular chemistry","2020","18","20","3843","3847","10.1039/d0ob00789g","","","0.71073","MoKα","","0.0686","0.0607","","","0.1766","0.1844","","","","","","1.058","","","","has coordinates","252917","2020-10-21","18:00:00",""
"7157488","7.7099","0.0006","16.5285","0.0015","15.8165","0.0016","90","","94.189","0.007","90","","2010.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl F12 N O3 -","- C16 H10 Cl F12 N O3 -","- C64 H40 Cl4 F48 N4 O12 -","4","1","","Mo, Zu-Yu; Wang, Xin-Yu; Zhang, Yu-Zhen; Yang, Li; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled functionalization of indoles or anilines for the synthesis of hexafluoroisopropoxy indole and aniline derivatives.","Organic & biomolecular chemistry","2020","18","20","3832","3837","10.1039/d0ob00157k","","x-ray","0.71073","MoKα","","0.0717","0.0553","","","0.1422","0.156","","","","","","1.034","","","","has coordinates","252918","2020-10-21","18:00:00",""
"7157489","42.922","0.009","30.652","0.006","19.133","0.004","90","","94.97","0.03","90","","25078","9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C210 H270 B6 N6 O24 -","- C210 H269.5 B6 N6 O24 -","- C840 H1078 B24 N24 O96 -","4","0.5","","Danjo, Hiroshi; Masuda, Yuhki; Kidena, Yuki; Kawahata, Masatoshi; Ohara, Kazuaki; Yamaguchi, Kentaro","Preparation of cage-shaped hexakis(spiroborate)s.","Organic & biomolecular chemistry","2020","18","19","3717","3723","10.1039/d0ob00518e","","","0.75","synchrotron","","0.1391","0.1064","","","0.3231","0.3545","","","","","","1.324","","","","has coordinates,has disorder","252911","2020-10-21","18:00:00",""
"7157490","27.909","0.006","32.78","0.007","34.958","0.007","105.11","0.03","107.86","0.03","110.03","0.03","26098","16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C223.49 H272.13 B6 N6.66 O25.16 -","- C223.484 H272.131 B6 N6.6615 O25.1615 -","- C893.938 H1088.52 B24 N26.646 O100.646 -","4","2","","Danjo, Hiroshi; Masuda, Yuhki; Kidena, Yuki; Kawahata, Masatoshi; Ohara, Kazuaki; Yamaguchi, Kentaro","Preparation of cage-shaped hexakis(spiroborate)s.","Organic & biomolecular chemistry","2020","18","19","3717","3723","10.1039/d0ob00518e","","","0.75","synchrotron","","0.1566","0.14","","","0.4052","0.4269","","","","","","1.856","","","","has coordinates,has disorder","252911","2020-10-21","18:00:00",""
"7157491","9.74142","0.00005","9.74142","0.00005","55.7588","0.0004","90","","90","","90","","5291.25","0.05","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C45 H74 N2 O20 S2 -","- C45 H74 N2 O20 S2 -","- C180 H296 N8 O80 S8 -","4","0.5","","Tota, Arianna; Carlucci, Claudia; Pisano, Luisa; Cutolo, Giuliano; Clarkson, Guy J.; Romanazzi, Giuseppe; Degennaro, Leonardo; Bull, James A.; Rollin, Patrick; Luisi, Renzo","Synthesis of glycosyl sulfoximines by a highly chemo- and stereoselective NH- and O-transfer to thioglycosides.","Organic & biomolecular chemistry","2020","18","20","3893","3897","10.1039/d0ob00647e","","x-ray","1.54184","CuKα","","0.0469","0.0464","","","0.1189","0.1193","","","","","","1.053","","","","has coordinates","252920","2020-10-21","18:00:00",""
"7157492","17.9619","0.0004","9.8922","0.0002","22.6104","0.0005","90","","96.832","0.002","90","","3988.95","0.15","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H17 Cl O4 -","- C25 H17 Cl O4 -","- C200 H136 Cl8 O32 -","8","2","","Yang, Xiao-Chao; Xu, Meng; Wang, Jin-Bao; Liu, Meng-Meng; Mathey, François; Hua, Yuan-Zhao; Wang, Min-Can","Enantioselective synthesis of indanone spiro-isochromanone derivatives via a dinuclear zinc-catalyzed Michael/transesterification tandem reaction.","Organic & biomolecular chemistry","2020","18","20","3917","3926","10.1039/d0ob00541j","","x-ray","1.54184","CuKα","","0.0423","0.0392","","","0.106","0.1099","","","","","","1.036","","","","has coordinates","252914","2020-10-21","18:00:00",""
"7157493","8.2622","0.0007","10.8562","0.001","11.4554","0.0008","83.258","0.004","82.82","0.004","84.193","0.004","1008.49","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O6 -","- C24 H19 N O6 -","- C48 H38 N2 O12 -","2","1","","Ravindran, Jaice; Yadhukrishnan, Velickakathu O.; Asha, Reghuvaran S.; Lankalapalli, Ravi S.","Dienaminodioate based multicomponent reactions with post-benzylic oxidative transformations mediated by DDQ.","Organic & biomolecular chemistry","2020","18","20","3927","3937","10.1039/d0ob00721h","","","0.71073","MoKα","","0.0828","0.0433","","","0.1025","0.1287","","","","","","1.051","","","","has coordinates","252916","2020-10-21","18:00:00",""
"7157494","9.3935","0.0006","10.3136","0.0007","17.8351","0.0012","102.592","0.003","95.138","0.004","101.978","0.003","1633.08","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl N3 O9 -","- C33 H30 Cl N3 O9 -","- C66 H60 Cl2 N6 O18 -","2","1","","Ravindran, Jaice; Yadhukrishnan, Velickakathu O.; Asha, Reghuvaran S.; Lankalapalli, Ravi S.","Dienaminodioate based multicomponent reactions with post-benzylic oxidative transformations mediated by DDQ.","Organic & biomolecular chemistry","2020","18","20","3927","3937","10.1039/d0ob00721h","","","0.71073","MoKα","","0.0758","0.0498","","","0.1267","0.1504","","","","","","1.08","","","","has coordinates","252916","2020-10-21","18:00:00",""
"7157495","12.5521","0.0012","6.6052","0.0006","12.9824","0.0012","90","","113.567","0.003","90","","986.58","0.16","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Zou, Chun-Xin; Hou, Zi-Lin; Bai, Ming; Guo, Rui; Lin, Bin; Wang, Xiao-Bo; Huang, Xiao-Xiao; Song, Shao-Jiang","Highly modified steroids from Inonotus obliquus.","Organic & biomolecular chemistry","2020","18","20","3908","3916","10.1039/d0ob00474j","","","1.34139","GaKα","","0.0311","0.0303","","","0.1055","0.1073","","","","","","0.955","","","","has coordinates,has disorder","252919","2020-10-21","18:00:00",""
"7157496","19.2032","0.0009","6.11","0.0003","10.9617","0.0005","90","","103.271","0.001","90","","1251.81","0.1","150","","150","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H34.5 O17.25 -","- C24 H34.5 O17.25 -","- C48 H69 O34.5 -","2","0.5","","St-Gelais, Jacob; Denavit, Vincent; Giguère, Denis","Efficient synthesis of a galectin inhibitor clinical candidate (TD139) using a Payne rearrangement/azidation reaction cascade.","Organic & biomolecular chemistry","2020","18","20","3903","3907","10.1039/d0ob00910e","","x-ray","1.34139","GaKα","","0.0507","0.0507","","","0.1175","0.1176","","","","","","1.147","","","","has coordinates","252915","2020-10-21","18:00:00",""
"7157497","6.4978","0.0004","14.5164","0.0014","16.2262","0.0014","90","","90","","90","","1530.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 N O3 S2 -","- C17 H11 N O3 S2 -","- C68 H44 N4 O12 S8 -","4","1","","Mondal, Santa; Mahato, Karuna; Arora, Neha; Kankane, Dheerendra; Singh, Umed Pratap; Ali, Saghir; Khan, Aftab Hossain; Ghosh, Siddhartha S.; Khan, Abu T.","Newly synthesized 3-sulfenylindole derivatives from 4-hydroxydithiocoumarin using an oxidative cross dehydrogenative coupling reaction (OCDCR): potential lead molecules for antiproliferative activity.","Organic & biomolecular chemistry","2020","18","21","4104","4113","10.1039/d0ob00054j","","","0.71073","MoKα","","0.0933","0.0576","","","0.09","0.1094","","","","","","1.011","","","","has coordinates","252930","2020-10-21","18:00:00",""
"7157498","17.5086","0.001","11.7781","0.0008","13.9721","0.0009","90","","92.715","0.006","90","","2878.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 N O S2 -","- C17 H11 N O S2 -","- C136 H88 N8 O8 S16 -","8","1","","Mondal, Santa; Mahato, Karuna; Arora, Neha; Kankane, Dheerendra; Singh, Umed Pratap; Ali, Saghir; Khan, Aftab Hossain; Ghosh, Siddhartha S.; Khan, Abu T.","Newly synthesized 3-sulfenylindole derivatives from 4-hydroxydithiocoumarin using an oxidative cross dehydrogenative coupling reaction (OCDCR): potential lead molecules for antiproliferative activity.","Organic & biomolecular chemistry","2020","18","21","4104","4113","10.1039/d0ob00054j","","","0.71073","MoKα","","0.0592","0.0461","","","0.1283","0.145","","","","","","0.998","","","","has coordinates","252930","2020-10-21","18:00:00",""
"7157499","11.695","0.0005","14.5145","0.0005","15.6982","0.0007","90","","107.486","0.005","90","","2541.59","0.19","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N O7 -","- C30 H29 N O7 -","- C120 H116 N4 O28 -","4","1","","Cui, Hai-Lei","FeCl<sub>2</sub> catalyzed direct modification of dihydropyrrolo[2,1-a]isoquinolines with phenols.","Organic & biomolecular chemistry","2020","18","21","4085","4089","10.1039/d0ob00917b","","x-ray","0.71073","MoKα","","0.0525","0.0407","","","0.0972","0.1054","","","","","","1.01","","","","has coordinates","252928","2020-10-21","18:00:00",""
"7157500","12.008","0.001","13.0066","0.001","34.139","0.002","90","","90","","90","","5331.9","0.7","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H77 N O6 -","- C57 H77 N O6 -","- C228 H308 N4 O24 -","4","1","","Peng, Xiaogang; Duan, Fangfang; He, Yangzhou; Gao, Ying; Chen, Juan; Chang, Jinling; Ruan, Hanli","Ergocytochalasin A, a polycyclic merocytochalasan from an endophytic fungus Phoma multirostrata XJ-2-1.","Organic & biomolecular chemistry","2020","18","21","4056","4062","10.1039/d0ob00701c","","x-ray","1.54184","CuKα","","0.0366","0.0362","","","0.0954","0.0958","","","","","","1.05","","","","has coordinates","252929","2020-10-21","18:00:00",""
"7157501","6.9928","0.0005","7.7011","0.0006","10.3093","0.0009","79.651","0.001","81.793","0.002","80.005","0.001","534.28","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 F N O4 S -","- C8 H12 F N O4 S -","- C16 H24 F2 N2 O8 S2 -","2","1","","Liu, Jing; Wang, Shi-Meng; Qin, Hua-Li","Light-induced [2 + 2] cycloadditions for the construction of cyclobutane-fused pyridinyl sulfonyl fluorides.","Organic & biomolecular chemistry","2020","18","21","4019","4023","10.1039/d0ob00814a","","","0.71073","MoKα","","0.0492","0.0402","","","0.1065","0.1132","","","","","","1.067","","","","has coordinates","252931","2020-10-21","18:00:00",""
"7157502","9.3559","0.0002","9.3559","0.0002","60.611","0.003","90","","90","","90","","5305.5","0.3","292.01","0.1","292.01","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C208 H192 N16 O16 S8 -","8","1","","Yang, Junxian; He, Zeyuan; Hong, Liang; Sun, Wangsheng; Wang, Rui","Asymmetric N-aminoalkylation of 3-substituted indoles by N-protected N,O-acetals: an access to chiral propargyl aminals.","Organic & biomolecular chemistry","2020","18","22","4169","4173","10.1039/d0ob00795a","","","1.54184","CuKα","","0.095","0.087","","","0.2483","0.2589","","","","","","0.868","","","","has coordinates,has disorder","253977","2020-10-21","18:00:00",""
"7157503","10.372","0.0003","12.8487","0.0004","21.0007","0.0008","90","","90","","90","","2798.69","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B N O2 -","- C14 H18 B N O2 -","- C112 H144 B8 N8 O16 -","8","1","","Zhao, Jia-Hui; Zhou, Zhao-Zhao; Zhang, Yue; Su, Xuan; Chen, Xi-Meng; Liang, Yong-Min","Visible-light-mediated borylation of aryl and alkyl halides with a palladium complex.","Organic & biomolecular chemistry","2020","18","23","4390","4394","10.1039/d0ob00028k","","","1.54184","CuKα","","0.0613","0.0518","","","0.1352","0.1471","","","","","","1.055","","","","has coordinates,has disorder","257924","2020-10-21","18:00:00",""
"7157504","8.947","0.0018","16.934","0.003","18.608","0.004","90","","90","","90","","2819.3","1","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl N2 O -","- C16 H13 Cl N2 O -","- C128 H104 Cl8 N16 O8 -","8","1","","Hu, Fang-Peng; Cui, Xin-Feng; Lu, Guo-Qiang; Huang, Guo-Sheng","Base-promoted Lewis acid catalyzed synthesis of quinazoline derivatives.","Organic & biomolecular chemistry","2020","18","23","4376","4380","10.1039/d0ob00225a","","","0.71073","MoKα","","0.0881","0.0614","","","0.1758","0.2017","","","","","","1.003","","","","has coordinates","257921","2020-10-21","18:00:00",""
"7157505","4.9529","0.0007","11.1696","0.0016","13.2334","0.0019","112.623","0.001","99.49","0.002","94.354","0.002","658.67","0.16","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","1","","Yang, Huiyong; Xu, Jun; Zhang, Yilan; He, Lei; Zhang, Pengfei; Li, Wanmei","Synthesis of quinazoin-4-ones through an acid ion exchange resin mediated cascade reaction.","Organic & biomolecular chemistry","2020","18","23","4406","4414","10.1039/d0ob00881h","","","0.71073","MoKα","","0.0702","0.0452","","","0.1149","0.1277","","","","","","1.064","","","","has coordinates","257919","2020-10-21","18:00:00",""
"7157506","19.7432","0.0016","18.485","0.002","10.3179","0.001","90","","99.181","0.008","90","","3717.3","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Br N2 -","- C19 H23 Br N2 -","- C152 H184 Br8 N16 -","8","2","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71073","MoKα","","0.1642","0.071","","","0.1999","0.2609","","","","","","1.027","","","","has coordinates","253980","2020-10-21","18:00:00",""
"7157507","12.988","0.002","15.255","0.002","14.374","0.002","90","","104.275","0.004","90","","2760","0.7","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Cl N3 O -","- C21.6 Cl3.2 N2.4 O0.8 -","- C108 Cl16 N12 O4 -","5","1.25","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71075","MoKα","","0.1398","0.1178","","","0.3791","0.4069","","","","","","1.717","","","","has coordinates","253980","2020-10-21","18:00:00",""
"7157508","8.5523","0.0011","10.6764","0.0014","20.418","0.003","90","","93.693","0.004","90","","1860.5","0.4","113","","113","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N3 -","- C21 H29 N3 -","- C84 H116 N12 -","4","1","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71075","MoKα","","0.06","0.0426","","","0.1073","0.1149","","","","","","1.065","","","","has coordinates","253980","2020-10-21","18:00:00",""
"7157509","18.7816","0.0014","29.0379","0.0017","19.9928","0.0015","90","","115.493","0.0014","90","","9842","1.2","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Cl N3 O2 -","- C27 H30 Cl N3 O2 -","- C432 H480 Cl16 N48 O32 -","16","4","","Banerjee, Indrani; Sagar, Shweta; Panda, Tarun K.","Calcium mediated efficient synthesis of N-arylamidines from organic nitriles and amines.","Organic & biomolecular chemistry","2020","18","22","4231","4237","10.1039/d0ob00805b","","","0.71075","MoKα","","0.0714","0.0462","","","0.1113","0.1228","","","","","","1.032","","","","has coordinates","253980","2020-10-21","18:00:00",""
"7157510","13.9531","0.0013","18.3735","0.0017","12.488","0.0012","90","","90.003","0.003","90","","3201.5","0.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl N2 O2 -","- C14 H23 Cl N2 O2 -","- C112 H184 Cl8 N16 O16 -","8","2","","He, Xinwei; Yang, Cheng; Wu, Yinsong; Xie, Mengqing; Li, Ruxue; Duan, Jiahui; Shang, Yongjia","Synthesis of unsymmetrical urea derivatives via one-pot sequential three-component reactions of cyclic 2-diazo-1,3-diketones, carbodiimides, and 1,2-dihaloethanes.","Organic & biomolecular chemistry","2020","18","22","4178","4182","10.1039/d0ob00683a","","","0.71073","MoKα","","0.104","0.058","","","0.142","0.1678","","","","","","1.018","","","","has coordinates,has disorder","253978","2020-10-21","18:00:00",""
"7157511","12.7318","0.001","9.1027","0.0007","20.8094","0.0015","90","","96.677","0.002","90","","2395.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NRVS1","","","- C28 H20 N4 O4 S2 -","- C28 H20 N4 O4 S2 -","- C112 H80 N16 O16 S8 -","4","1","","Singh, Manpreet; Vaishali, ?; Paul, Avijit Kumar; Singh, Virender","Isatin as a 2-aminobenzaldehyde surrogate: transition metal-free efficient synthesis of 2-(2'-aminophenyl)benzothiazole derivatives.","Organic & biomolecular chemistry","2020","18","23","4459","4469","10.1039/d0ob00888e","","","0.71073","MoKα","","0.0715","0.0415","","","0.1041","0.1191","","","","","","1.069","","","","has coordinates","257920","2020-10-21","18:00:00",""
"7157512","27.604","0.002","7.7285","0.0006","5.8633","0.0005","90","","90","","90","","1250.86","0.17","170","2","170","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 N S2 -","- C14 H11 N S2 -","- C56 H44 N4 S8 -","4","1","","Wang, Dungai; Liang, Xiao; Xiong, Mingteng; Zhu, Heping; Zhou, Yifeng; Pan, Yuanjiang","Synthesis of unsymmetrical disulfides via PPh<sub>3</sub>-mediated reductive coupling of thiophenols with sulfonyl chlorides.","Organic & biomolecular chemistry","2020","18","23","4447","4451","10.1039/d0ob00804d","","","0.71073","MoKα","","0.0319","0.0293","","","0.0754","0.0773","","","","","","1.07","","","","has coordinates","257925","2020-10-21","18:00:00",""
"7157513","8.2789","0.0003","13.5084","0.0005","29.7538","0.0012","90","","90","","90","","3327.5","0.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H18 B F2 N O2 S -","- C15 H18 B F2 N O2 S -","- C120 H144 B8 F16 N8 O16 S8 -","8","1","","Wei, Jun; Bao, Kun; Wang, Yuan; Sheng, Rong; Hu, Jinbo","Novel usage of 2-BTSO<sub>2</sub>CF<sub>2</sub>H for metal-free electrophilic difluoroalkanethiolation of indoles.","Organic & biomolecular chemistry","2020","18","24","4556","4559","10.1039/d0ob00872a","","","0.71073","MoKα","","0.0869","0.0674","","","0.184","0.2059","","","","","","1.024","","","","has coordinates,has disorder","253970","2020-10-21","18:00:00",""
"7157514","27.487","0.002","11.9733","0.001","19.9835","0.0017","90","","132.48","0.009","90","","4850.5","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H59 B F2 N4 O6 -","- C59 H59 B F2 N4 O6 -","- C236 H236 B4 F8 N16 O24 -","4","0.5","","Sugiura, Shinya; Maeda, Hiromitsu","Pyrrole-based anion-responsive π-electronic molecules as fluorescence sensors responsive to multiple stimuli.","Organic & biomolecular chemistry","2020","18","23","4433","4438","10.1039/d0ob00952k","","","0.4115","Synchrotron","","0.042","0.0385","","","0.1017","0.1046","","","","","","1.053","","","","has coordinates","257923","2020-10-21","18:00:00",""
"7157515","10.6091","0.0005","11.9396","0.0005","20.1405","0.0008","103.598","0.004","99.511","0.004","95.686","0.004","2420.12","0.19","292.01","0.1","292.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O6 -","- C28 H25 N O6 -","- C112 H100 N4 O24 -","4","2","","Luo, Si-Qin; Liu, Wei; Ruan, Ban-Feng; Fan, Shi-Lu; Zhu, Hui-Xia; Tao, Wei; Xiao, Hua","P(NMe<sub>2</sub>)<sub>3</sub> mediated cyclopropanation of α-methylene-β-lactams for rapid syntheses of spirocyclopropyl β-lactams.","Organic & biomolecular chemistry","2020","18","24","4599","4603","10.1039/d0ob00826e","","","1.54184","CuKα","","0.0751","0.0526","","","0.1282","0.1479","","","","","","1.025","","","","has coordinates","253971","2020-10-21","18:00:00",""
"7157516","9.6348","0.0005","10.2842","0.0005","11.504","0.0005","103.149","0.004","104.108","0.004","94.618","0.004","1065.31","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 Br N O3 -","- C25 H20 Br N O3 -","- C50 H40 Br2 N2 O6 -","2","1","","Luo, Si-Qin; Liu, Wei; Ruan, Ban-Feng; Fan, Shi-Lu; Zhu, Hui-Xia; Tao, Wei; Xiao, Hua","P(NMe<sub>2</sub>)<sub>3</sub> mediated cyclopropanation of α-methylene-β-lactams for rapid syntheses of spirocyclopropyl β-lactams.","Organic & biomolecular chemistry","2020","18","24","4599","4603","10.1039/d0ob00826e","","x-ray","1.54184","CuKα","","0.0409","0.0377","","","0.0926","0.0952","","","","","","1.032","","","","has coordinates","253971","2020-10-21","18:00:00",""
"7157517","25.0521","0.0011","25.0521","0.0011","15.1716","0.0018","90","","90","","90","","9521.8","1.3","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","[5]rotaxane","","- C192 H224 B6 F24 N8 O48 -","- C192 H224 B6 F24 N8 O48 -","- C384 H448 B12 F48 N16 O96 -","2","0.25","","Martinez-Bulit, Pablo; Wilson, Benjamin H.; Loeb, Stephen J.","One-pot synthesis of porphyrin-based [5]rotaxanes.","Organic & biomolecular chemistry","2020","18","23","4395","4400","10.1039/d0ob00906g","","x-ray","1.54184","CuKα","","0.2752","0.1892","","","0.4626","0.5216","","","","","","1.677","","","","has coordinates,has disorder","257926","2020-10-21","18:00:00",""
"7157518","10.486","0.005","11.704","0.006","13.581","0.007","87.493","0.009","84.584","0.008","66.838","0.007","1525.5","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H44 B10 O4 -","- C22 H44 B10 O4 -","- C44 H88 B20 O8 -","2","1","","Zhang, Chuyi; Wang, Qian; Tian, Song; Zhang, Jianwei; Li, Jiaoyi; Zhou, Ling; Lu, Jian","Palladium-catalyzed regioselective synthesis of B(4,5)- or B(4)-substituted o-carboranes containing α,β-unsaturated carbonyls.","Organic & biomolecular chemistry","2020","18","25","4723","4727","10.1039/d0ob00698j","","","0.71073","MoKα","","0.112","0.0835","","","0.2398","0.2813","","","","","","1.046","","","","has coordinates","253984","2020-10-21","18:00:00",""
"7157519","9.25182","0.00019","14.2225","0.0003","10.38203","0.00019","90","","106.464","0.002","90","","1310.1","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 N O S -","- C32 H29 N O S -","- C64 H58 N2 O2 S2 -","2","1","","Li, Ying-Xian; Cheng, Cheng; Tang, Lei; Yang, Yuan-Yong","Palladium catalyzed asymmetric allylic alkylation of isoquinolinedione derivatives in the preparation of quaternary carbon stereocenters.","Organic & biomolecular chemistry","2020","18","24","4551","4555","10.1039/d0ob00765j","","x-ray","1.54184","CuKα","","0.0369","0.036","","","0.1005","0.1027","","","","","","1.056","","","","has coordinates","253968","2020-10-21","18:00:00",""
"7157520","18.271","0.003","8.4386","0.0016","12.378","0.0019","90","","93.24","0.006","90","","1905.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4.75 H5 N O1.25 -","- C4.75 H5 N O1.25 -","- C76 H80 N16 O20 -","16","4","","Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.","Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.","Organic & biomolecular chemistry","2020","18","23","4470","4478","10.1039/d0ob00848f","","","0.71073","MoKα","","0.0867","0.0718","","","0.1965","0.2081","","","","","","1.048","","","","has coordinates","257922","2020-10-21","18:00:00",""
"7157521","7.2978","0.0006","8.2873","0.0008","14.1639","0.0013","97.85","0.004","94.308","0.003","110.859","0.003","785.86","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5.67 H6.33 N O -","- C5.66667 H6.33333 N O -","- C34 H38 N6 O6 -","6","3","","Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.","Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.","Organic & biomolecular chemistry","2020","18","23","4470","4478","10.1039/d0ob00848f","","","0.71073","MoKα","","0.0465","0.0401","","","0.1082","0.1129","","","","","","1.041","","","","has coordinates","257922","2020-10-21","18:00:00",""
"7157522","6.5916","0.0013","4.0692","0.0007","26.512","0.006","90","","94.367","0.009","90","","709.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H2 Cl0.14 N0.43 O0.29 -","- C2 H2 Cl0.142857 N0.428571 O0.285714 -","- C28 H28 Cl2 N6 O4 -","14","7","","Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.","Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.","Organic & biomolecular chemistry","2020","18","23","4470","4478","10.1039/d0ob00848f","","","0.71073","MoKα","","0.0438","0.0352","","","0.0839","0.0876","","","","","","1.075","","","","has coordinates","257922","2020-10-21","18:00:00",""
"7157523","7.016","0.002","16.476","0.006","19.291","0.006","90","","90","","90","","2230","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Br3 N O2 -","- C8 H6 Br3 N O2 -","- C64 H48 Br24 N8 O16 -","8","1","","Okuma, Kentaro; Qu, Yuxuan; Suetome, Aoi; Nagahora, Noriyoshi","Reaction of ketone hydrazones with TeCl<sub>4</sub>: isolation and reactions of novel divinyl telluride.","Organic & biomolecular chemistry","2020","18","24","4583","4589","10.1039/d0ob00782j","","","0.71075","MoKα","","0.0945","0.0669","","","0.1487","0.1604","","","","","","1.002","","","","has coordinates","253974","2020-10-21","18:00:00",""
"7157524","15.726","0.01","10.425","0.005","13.63","0.008","90","","121.565","0.008","90","","1903.9","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Br2 N2 O4 Te -","- C16 H12 Br2 N2 O4 Te -","- C64 H48 Br8 N8 O16 Te4 -","4","0.5","","Okuma, Kentaro; Qu, Yuxuan; Suetome, Aoi; Nagahora, Noriyoshi","Reaction of ketone hydrazones with TeCl<sub>4</sub>: isolation and reactions of novel divinyl telluride.","Organic & biomolecular chemistry","2020","18","24","4583","4589","10.1039/d0ob00782j","","","0.71075","MoKα","","0.0437","0.0339","","","0.072","0.0764","","","","","","1.041","","","","has coordinates","253974","2020-10-21","18:00:00",""
"7157525","10.0037","0.0001","20.2706","0.0002","13.2122","0.0001","90","","92.231","0.001","90","","2677.15","0.04","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 N O3 -","- C31 H33 N O3 -","- C124 H132 N4 O12 -","4","1","","You, Yong; Quan, Bao-Xue; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Divergent synthesis of oxindole derivatives via controllable reactions of isatin-derived para-quinone methides with sulfur ylides.","Organic & biomolecular chemistry","2020","18","24","4560","4565","10.1039/d0ob00979b","","","1.54184","CuKα","","0.0633","0.0585","","","0.1632","0.169","","","","","","1.053","","","","has coordinates","253973","2020-10-21","18:00:00",""
"7157526","9.4791","0.0002","9.7988","0.0002","15.518","0.0004","83.644","0.001","83.34","0.001","62.855","0.001","1271.23","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 N O3 -","- C31 H33 N O3 -","- C62 H66 N2 O6 -","2","1","","You, Yong; Quan, Bao-Xue; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Divergent synthesis of oxindole derivatives via controllable reactions of isatin-derived para-quinone methides with sulfur ylides.","Organic & biomolecular chemistry","2020","18","24","4560","4565","10.1039/d0ob00979b","","","1.54178","CuKα","","0.0403","0.0389","","","0.0931","0.094","","","","","","1.044","","","","has coordinates","253973","2020-10-21","18:00:00",""
"7157527","10.205","","23.555","","23.364","","90","","95.62","","90","","5589.21","","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C60-derivative","C60-derivative","","- C96 H31 N O S2 -","- C96 H31 N O S2 -","- C384 H124 N4 O4 S8 -","4","1","","Yang, Yong; Niu, Chuang; Chen, Muqing; Yang, Shangfeng; Wang, Guan-Wu","Electrochemical regioselective alkylations of a [60]fulleroindoline with bulky alkyl bromides.","Organic & biomolecular chemistry","2020","18","25","4783","4787","10.1039/d0ob00876a","","","0.71073","synchrotron","","0.1196","0.1151","","","0.2902","0.2931","","","","","","1.082","","","","has coordinates","253983","2020-10-21","18:00:00",""
"7157528","10.8717","0.0003","10.7087","0.0003","15.1761","0.0004","90","","95.029","0.002","90","","1760.03","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 F3 O2 -","- C20 H21 F3 O2 -","- C80 H84 F12 O8 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0365","0.0339","","","0.089","0.0915","","","","","","1.013","","","","has coordinates","253969","2020-10-21","18:00:00",""
"7157529","24.336","0.0011","7.1684","0.0003","16.7513","0.0008","90","","90","","90","","2922.3","0.2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H17 F3 O2 -","- C17 H17 F3 O2 -","- C136 H136 F24 O16 -","8","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0468","0.0369","","","0.0935","0.0989","","","","","","1.039","","","","has coordinates","253969","2020-10-21","18:00:00",""
"7157530","12.0518","0.0006","11.0358","0.0004","18.5393","0.0009","90","","103.931","0.005","90","","2393.22","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl F3 O4 -","- C26 H26 Cl F3 O4 -","- C104 H104 Cl4 F12 O16 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0523","0.0458","","","0.1285","0.133","","","","","","1.052","","","","has coordinates","253969","2020-10-21","18:00:00",""
"7157531","13.8943","0.0004","9.9889","0.0003","15.0537","0.0004","90","","99.237","0.003","90","","2062.19","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F3 O4 S -","- C23 H21 F3 O4 S -","- C92 H84 F12 O16 S4 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Syntheses of α-CF<sub>3</sub>-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.","Organic & biomolecular chemistry","2020","18","24","4638","4644","10.1039/d0ob00951b","","","0.71073","MoKα","","0.0352","0.032","","","0.089","0.0912","","","","","","1.041","","","","has coordinates","253969","2020-10-21","18:00:00",""
"7157532","12.2311","0.0004","5.5378","0.0002","13.6984","0.0004","90","","95.773","0.002","90","","923.13","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 O3 Se -","- C23 H18 O3 Se -","- C46 H36 O6 Se2 -","2","1","","Sahoo, Sushree Ranjan; Sarkar, Debayan; Henkel, Felix; Reuter, Hans","Copper(i) catalyzed synthesis of selanyl methylene 4-chromanol and aurone derivatives.","Organic & biomolecular chemistry","2020","18","24","4619","4627","10.1039/d0ob00632g","","","0.71073","MoKα","","0.0238","0.0211","","","0.0487","0.0498","","","","","","1.033","","","","has coordinates","253976","2020-10-21","18:00:00",""
"7157533","16.6385","0.0013","14.3268","0.0008","7.7041","0.0005","90","","100.731","0.007","90","","1804.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br N2 O3 -","- C20 H17 Br N2 O3 -","- C80 H68 Br4 N8 O12 -","4","1","","Shi, Yaqi; Yang, Fan; Wu, Yangjie","Palladium-catalyzed C8-H alkoxycarbonylation of 1-naphthylamines with alkyl chloroformates.","Organic & biomolecular chemistry","2020","18","24","4628","4637","10.1039/d0ob00586j","","x-ray","1.54184","CuKα","","0.0755","0.0486","","","0.1062","0.1265","","","","","","1.053","","","","has coordinates","253975","2020-10-21","18:00:00",""
"7157534","5.2366","0.0001","35.3229","0.0003","14.5684","0.0001","90","","95.522","0.001","90","","2682.24","0.06","120","2","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H56 Cl N3 O14 S -","- C59 H56 Cl N3 O14 S -","- C118 H112 Cl2 N6 O28 S2 -","2","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","x-ray","1.54184","CuKα","","0.0415","0.0396","","","0.104","0.1051","","","","","","1.115","","","","has coordinates,has disorder","253981","2020-10-21","18:00:00",""
"7157535","8.1104","0.0002","19.5548","0.0006","27.2321","0.0019","90","","90","","90","","4318.9","0.3","164","2","164","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Cl N3 O14 -","- C44 H45.9996 Cl N3 O14 -","- C176 H183.998 Cl4 N12 O56 -","4","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","","1.54178","CuKα","","0.0813","0.0625","","","0.1705","0.1892","","","","","","1.095","","","","has coordinates,has disorder","253981","2020-10-21","18:00:00",""
"7157536","8.0833","0.0002","18.7876","0.0007","26.8116","0.0012","90","","90","","90","","4071.8","0.3","120","2","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H45 N3 O14 -","- C43 H45 N3 O14 -","- C172 H180 N12 O56 -","4","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","x-ray","1.54184","CuKα","","0.0721","0.0564","","","0.1354","0.1464","","","","","","1.054","","","","has coordinates","253981","2020-10-21","18:00:00",""
"7157537","10.546","0.003","12.611","0.003","12.642","0.003","109.078","0.003","94.549","0.003","91.826","0.003","1581","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37 Cl3 N O2 P -","- C33 H37 Cl3 N O2 P -","- C66 H74 Cl6 N2 O4 P2 -","2","1","","Jiang, Shuai-Shuai; Xiao, Yu-Ting; Wu, Yan-Chen; Luo, Shu-Zheng; Song, Ren-Jie; Li, Jin-Heng","Manganese(iii)-promoted tandem phosphinoylation/cyclization of 2-arylindoles/2-arylbenzimidazoles with disubstituted phosphine oxides.","Organic & biomolecular chemistry","2020","18","25","4843","4847","10.1039/d0ob00877j","","","0.71073","MoKα","","0.0681","0.054","","","0.1406","0.1524","","","","","","1.039","","","","has coordinates","253982","2020-10-21","18:00:00",""
"7157538","15.1872","0.0009","16.3092","0.001","34.3428","0.0019","90","","90","","90","","8506.4","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H19 N3 O6 -","- C25 H19 N3 O6 -","- C400 H304 N48 O96 -","16","2","","Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.","One-pot synthesis of pyrimidine linked naphthoquinone-fused pyrroles by iodine-mediated multicomponent reactions.","Organic & biomolecular chemistry","2020","18","26","4997","5007","10.1039/d0ob00591f","","","0.71073","MoKα","","0.233","0.079","","","0.1212","0.1657","","","","","","1.005","","","","has coordinates","255093","2020-10-21","18:00:00",""
"7157539","12.391","0.007","8.165","0.005","21.573","0.012","90","","94.106","0.014","90","","2177","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N3 O5 -","- C25 H16 F3 N3 O5 -","- C100 H64 F12 N12 O20 -","4","1","","Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.","One-pot synthesis of pyrimidine linked naphthoquinone-fused pyrroles by iodine-mediated multicomponent reactions.","Organic & biomolecular chemistry","2020","18","26","4997","5007","10.1039/d0ob00591f","","","0.71073","MoKα","","0.2596","0.0973","","","0.1587","0.224","","","","","","1.017","","","","has coordinates","255093","2020-10-21","18:00:00",""
"7157540","10.9534","0.0008","12.5947","0.0013","13.2276","0.001","100.624","0.008","113.849","0.007","110.012","0.008","1453.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cl3 N3 O6 -","- C30 H24 Cl3 N3 O6 -","- C60 H48 Cl6 N6 O12 -","2","1","","Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.","Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.","Organic & biomolecular chemistry","2020","18","26","4971","4982","10.1039/d0ob00693a","","","1.54184","CuKα","","0.078","0.063","","","0.1702","0.1833","","","","","","1.059","","","","has coordinates","255097","2020-10-21","18:00:00",""
"7157541","14.0485","0.0003","13.9573","0.0003","10.3547","0.0003","90","","99.58","0.002","90","","2002.03","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.","Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.","Organic & biomolecular chemistry","2020","18","26","4971","4982","10.1039/d0ob00693a","","x-ray","0.71073","MoKα","","0.0553","0.0415","","","0.0923","0.0991","","","","","","1.022","","","","has coordinates","255097","2020-10-21","18:00:00",""
"7157542","10.8248","0.0001","16.4407","0.0001","12.0407","0.0001","90","","109.771","0.001","90","","2016.53","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl4 N2 O4 -","- C20 H14 Cl4 N2 O4 -","- C80 H56 Cl16 N8 O16 -","4","2","","Nguyen, Tuan K.; Titov, Gleb D.; Khoroshilova, Olesya V.; Kinzhalov, Mikhail A.; Rostovskii, Nikolai V.","Light-induced one-pot synthesis of pyrimidine derivatives from vinyl azides.","Organic & biomolecular chemistry","2020","18","26","4971","4982","10.1039/d0ob00693a","","x-ray","1.54184","CuKα","","0.0241","0.0233","","","0.058","0.0585","","","","","","1.031","","","","has coordinates","255097","2020-10-21","18:00:00",""
"7157543","7.62","0.0015","43.657","0.016","25.19","0.005","90","","90.53","0.03","90","","8380","4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C90 H51 Cl3 -","- C90 H51 Cl3 -","- C360 H204 Cl12 -","4","1","","Yang, Yong; Nanjo, Yuki; Isobe, Hiroyuki; Sato, Sota","Synthesis and stereoisomerism of [n]cyclo-2,9-phenanthrenylene congeners possessing alternating E/Z- and R/S-biaryl linkages.","Organic & biomolecular chemistry","2020","18","26","4949","4955","10.1039/d0ob01064b","","","0.76","synchrotron","","0.0697","0.0654","","","0.1904","0.1941","","","","","","1.1","","","","has coordinates,has disorder","255094","2020-10-21","18:00:00",""
"7157544","7.662","0.0016","15.949","0.0011","14.374","0.002","90","","99.232","0.004","90","","1733.8","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C56 H32 -","- C56 H32 -","- C112 H64 -","2","0.5","","Yang, Yong; Nanjo, Yuki; Isobe, Hiroyuki; Sato, Sota","Synthesis and stereoisomerism of [n]cyclo-2,9-phenanthrenylene congeners possessing alternating E/Z- and R/S-biaryl linkages.","Organic & biomolecular chemistry","2020","18","26","4949","4955","10.1039/d0ob01064b","","","0.76","synchrotron","","0.0454","0.0436","","","0.1187","0.1205","","","","","","1.056","","","","has coordinates","255094","2020-10-21","18:00:00",""
"7157545","7.9349","0.0002","8.1555","0.0002","11.7247","0.0003","108.099","0.002","92.6644","0.0019","92.6","0.002","718.99","0.03","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br I O2 -","- C15 H10 Br I O2 -","- C30 H20 Br2 I2 O4 -","2","1","","Yang, Yong; Nanjo, Yuki; Isobe, Hiroyuki; Sato, Sota","Synthesis and stereoisomerism of [n]cyclo-2,9-phenanthrenylene congeners possessing alternating E/Z- and R/S-biaryl linkages.","Organic & biomolecular chemistry","2020","18","26","4949","4955","10.1039/d0ob01064b","","","1.54184","CuKα","","0.0415","0.0407","","","0.109","0.1095","","","","","","1.075","","","","has coordinates,has disorder","255094","2020-10-21","18:00:00",""
"7157546","12.174","0.002","12.709","0.003","12.335","0.003","90","","117.06","0.03","90","","1699.5","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N3 O2 -","- C20 H16 Cl N3 O2 -","- C80 H64 Cl4 N12 O8 -","4","1","","Tikhonova, Tatyana A.; Ilment, Nikita V.; Lyssenko, Konstantin A.; Zavarzin, Igor V.; Volkova, Yulia A.","Sulfur-mediated synthesis of unsymmetrically substituted N-aryl oxalamides by the cascade thioamidation/cyclocondensation and hydrolysis reaction.","Organic & biomolecular chemistry","2020","18","26","5050","5060","10.1039/d0ob00811g","","","0.71073","MoKα","","0.0405","0.0353","","","0.0905","0.0943","","","","","","1.034","","","","has coordinates","255095","2020-10-21","18:00:00",""
"7157547","35.957","0.003","6.1171","0.0005","19.5083","0.0015","90","","96.604","0.002","90","","4262.4","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl N3 O3 S -","- C20 H16 Cl N3 O2 -","- C160 H128 Cl8 N24 O16 -","8","1","","Tikhonova, Tatyana A.; Ilment, Nikita V.; Lyssenko, Konstantin A.; Zavarzin, Igor V.; Volkova, Yulia A.","Sulfur-mediated synthesis of unsymmetrically substituted N-aryl oxalamides by the cascade thioamidation/cyclocondensation and hydrolysis reaction.","Organic & biomolecular chemistry","2020","18","26","5050","5060","10.1039/d0ob00811g","","","0.71073","MoKα","","0.0764","0.0668","","","0.1951","0.2045","","","","","","1.059","","","","has coordinates,has disorder","255095","2020-10-21","18:00:00",""
"7157548","27.7141","0.0013","6.4562","0.0003","20.6251","0.001","90","","128.18","0.001","90","","2900.9","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C144 H112 N32 O8 -","8","1","","Bou-Petit, Elisabeth; Plans, Arnau; Rodríguez-Picazo, Nieves; Torres-Coll, Antoni; Puigjaner, Cristina; Font-Bardia, Mercè; Teixidó, Jordi; Ramon Y Cajal, Santiago; Estrada-Tejedor, Roger; Borrell, José I","C4-C5 fused pyrazol-3-amines: when the degree of unsaturation and electronic characteristics of the fused ring controls regioselectivity in Ullmann and acylation reactions.","Organic & biomolecular chemistry","2020","18","27","5145","5156","10.1039/d0ob00796j","","","0.71073","MoKα","","0.0646","0.0491","","","0.1358","0.1476","","","","","","1.063","","","","has coordinates","255092","2020-10-21","18:00:00",""
"7157549","10.0257","0.0007","13.4533","0.0008","10.8045","0.0007","90","","108.456","0.002","90","","1382.34","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C56 H64 N16 O12 -","4","1","","Bou-Petit, Elisabeth; Plans, Arnau; Rodríguez-Picazo, Nieves; Torres-Coll, Antoni; Puigjaner, Cristina; Font-Bardia, Mercè; Teixidó, Jordi; Ramon Y Cajal, Santiago; Estrada-Tejedor, Roger; Borrell, José I","C4-C5 fused pyrazol-3-amines: when the degree of unsaturation and electronic characteristics of the fused ring controls regioselectivity in Ullmann and acylation reactions.","Organic & biomolecular chemistry","2020","18","27","5145","5156","10.1039/d0ob00796j","","","0.71073","MoKα","","0.0862","0.0532","","","0.1301","0.1615","","","","","","1.034","","","","has coordinates","255092","2020-10-21","18:00:00",""
"7157550","7.2231","0.0002","14.5123","0.0004","22.3944","0.0006","90","","90","","90","","2347.47","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5","","","- C16 H17 N -","- C16 H17 N -","- C128 H136 N8 -","8","2","","Zonker, Benjamin; Duman, Ediz; Hausmann, Heike; Becker, Jonathan; Hrdina, Radim","[1,2]-Rearrangement of iminium salts provides access to heterocycles with adamantane scaffold.","Organic & biomolecular chemistry","2020","18","26","4941","4945","10.1039/d0ob01156h","","","1.54178","CuKα","","0.0331","0.0318","","","0.0806","0.0818","","","","","","1.041","","","","has coordinates","255096","2020-10-21","18:00:00",""
"7157551","27.1498","0.0009","10.3031","0.0003","11.3085","0.0004","90","","91.1403","0.0016","90","","3162.67","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","8","","","- C20 H26 N O -","- C20 H26 N O -","- C160 H208 N8 O8 -","8","1","","Zonker, Benjamin; Duman, Ediz; Hausmann, Heike; Becker, Jonathan; Hrdina, Radim","[1,2]-Rearrangement of iminium salts provides access to heterocycles with adamantane scaffold.","Organic & biomolecular chemistry","2020","18","26","4941","4945","10.1039/d0ob01156h","","","0.71073","MoKα","","0.0607","0.046","","","0.1193","0.1303","","","","","","1.039","","","","has coordinates","255096","2020-10-21","18:00:00",""
"7157552","13.2433","0.0003","13.7134","0.0003","15.7312","0.0004","70.848","0.001","80.596","0.001","66.09","0.001","2465.69","0.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H33 Cl3 F15 N5 O -","- C55 H33 Cl3 F15 N5 O -","- C110 H66 Cl6 F30 N10 O2 -","2","1","","Mori, Daiki; Yoneda, Tomoki; Suzuki, Masaaki; Hoshino, Tyuji; Neya, Saburo","Deprotection of a benzyl unit induces a 22π aromatic macrocycle of 3-oxypyripentaphyrin(0.1.1.1.0) with strong NIR absorption.","Organic & biomolecular chemistry","2020","18","28","5334","5338","10.1039/d0ob01213k","","","1.54187","CuKα","","0.116","0.0841","","","0.2201","0.2495","","","","","","1.12","","","","has coordinates,has disorder","255085","2020-10-21","18:00:00",""
"7157553","12.2776","0.0003","13.0559","0.0003","16.5083","0.0004","105.241","0.001","110.613","0.001","98.939","0.002","2297.85","0.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H24 Cl6 F15 N5 O -","- C48 H24 Cl6 F15 N5 O -","- C96 H48 Cl12 F30 N10 O2 -","2","1","","Mori, Daiki; Yoneda, Tomoki; Suzuki, Masaaki; Hoshino, Tyuji; Neya, Saburo","Deprotection of a benzyl unit induces a 22π aromatic macrocycle of 3-oxypyripentaphyrin(0.1.1.1.0) with strong NIR absorption.","Organic & biomolecular chemistry","2020","18","28","5334","5338","10.1039/d0ob01213k","","","1.54187","CuKα","","0.1432","0.0965","","","0.2355","0.2705","","","","","","1.049","","","","has coordinates","255085","2020-10-21","18:00:00",""
"7157554","7.9726","0.0002","30.0112","0.0008","11.2602","0.0003","90","","100.176","0.003","90","","2651.82","0.12","99.96","0.11","99.96","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35 N3 O6 -","- C29 H35 N3 O6 -","- C116 H140 N12 O24 -","4","2","","Young, Matthew J.; Akien, Geoffrey R.; Evans, Nicholas H.","An amide hydrogen bond templated [1]rotaxane displaying a peptide motif - demonstrating an expedient route to synthetic mimics of lasso peptides.","Organic & biomolecular chemistry","2020","18","27","5203","5209","10.1039/d0ob01190h","","x-ray","1.54184","CuKα","","0.0667","0.0639","","","0.1809","0.1835","","","","","","1.074","","","","has coordinates,has disorder","255089","2020-10-21","18:00:00",""
"7157555","10.382","0.003","15.766","0.004","20.036","0.006","90","","90","","90","","3279.5","1.6","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 Br N O2 -","- C38 H40 Br N O2 -","- C152 H160 Br4 N4 O8 -","4","1","","Wu, Shu-Fang; Tu, Man-Su; Hang, Qing-Qing; Zhang, Shu; Ding, Haixia; Zhang, Yu-Chen; Shi, Feng","Construction of chiral chroman scaffolds via catalytic asymmetric (4 + 2) cyclizations of para-quinone methide derivatives with 3-vinylindoles.","Organic & biomolecular chemistry","2020","18","28","5388","5399","10.1039/d0ob01049a","","","0.71073","MoKα","","0.1011","0.0594","","","0.1422","0.1594","","","","","","1.031","","","","has coordinates","255086","2020-10-21","18:00:00",""
"7157556","25.7843","0.0004","5.307","0.0001","18.5521","0.0003","90","","95.228","0.001","90","","2528.06","0.07","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.75 H27 Br N2 O4 -","- C28.75 H27 Br N2 O4 -","- C115 H108 Br4 N8 O16 -","4","1","","Roesner, Stefan; Beadle, Jonathan D.; Tam, Leo K. B.; Wilkening, Ina; Clarkson, Guy J.; Raubo, Piotr; Shipman, Michael","Development of oxetane modified building blocks for peptide synthesis.","Organic & biomolecular chemistry","2020","18","28","5400","5405","10.1039/d0ob01208d","","x-ray","1.54178","CuKα","","0.0775","0.0722","","","0.1947","0.2005","","","","","","1.054","","","","has coordinates,has disorder","255087","2020-10-21","18:00:00",""
"7157557","11.536","0.002","8.2902","0.0017","18.32","0.004","90","","108.28","0.03","90","","1663.6","0.6","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0626","0.0449","","","0.1149","0.1329","","","","","","1.121","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7157558","20.474","0.005","20.474","0.005","9.72","0.003","90","","90","","90","","4074.5","1.9","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C21 H16.5 Br2 O2.25 -","- C21 H16 Br2 O2.25 -","- C168 H128 Br16 O18 -","8","1","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0829","0.0651","","","0.1948","0.214","","","","","","1.08","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7157559","9.99","0.004","10.558","0.004","21.868","0.009","78.978","0.012","77.06","0.01","85.471","0.013","2204.9","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 O2 S -","- C28 H24 O2 S -","- C112 H96 O8 S4 -","4","2","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0707","0.0559","","","0.1213","0.1295","","","","","","1.118","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7157560","16.94","0.003","10.721","0.002","10.61","0.002","90","","101.81","0.03","90","","1886.1","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Br O -","- C25 H17 Br O -","- C100 H68 Br4 O4 -","4","1","","Zhang, Heng; Yu, Yinghua; Huang, Xueliang","Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.","Organic & biomolecular chemistry","2020","18","27","5115","5119","10.1039/d0ob00978d","","","0.71073","MoKα","","0.0601","0.0361","","","0.0855","0.0952","","","","","","0.933","","","","has coordinates","255091","2020-10-21","18:00:00",""
"7157561","19.4194","0.0006","6.3668","0.0002","42.5242","0.0013","90","","90","","90","","5257.7","0.3","110","1","110","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H32 F2 O2 -","- C33 H32 F2 O2 -","- C264 H256 F16 O16 -","8","2","","Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.","Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.","Organic & biomolecular chemistry","2020","18","29","5625","5638","10.1039/d0ob01228a","","","1.54186","CuKα","","0.0995","0.0612","","","0.1448","0.1611","","","","","","0.874","","","","has coordinates","255080","2020-10-21","18:00:00",""
"7157562","15.0563","0.0004","9.004","0.0002","17.4709","0.0005","90","","100.4","0.002","90","","2329.57","0.11","295","2","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 F2 N2 -","- C27 H26 F2 N2 -","- C108 H104 F8 N8 -","4","1","","Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.","Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.","Organic & biomolecular chemistry","2020","18","29","5625","5638","10.1039/d0ob01228a","","","1.54186","CuKα","","0.0713","0.042","","","0.1121","0.1235","","","","","","0.932","","","","has coordinates","255080","2020-10-21","18:00:00",""
"7157563","13.0983","0.0004","14.8761","0.0004","16.8995","0.0005","89.435","0.002","81.488","0.003","87.41","0.003","3253.28","0.17","295","2","295","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H74 Cl4 F4 N4 O5 -","- C70 H74 Cl4 F4 N4 O5 -","- C140 H148 Cl8 F8 N8 O10 -","2","1","","Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.","Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.","Organic & biomolecular chemistry","2020","18","29","5625","5638","10.1039/d0ob01228a","","","1.54186","CuKα","","0.1524","0.0588","","","0.1371","0.1608","","","","","","0.884","","","","has coordinates","255080","2020-10-21","18:00:00",""
"7157564","10.295","0.009","11.374","0.008","36.37","0.03","90","","90","","90","","4259","6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 N6 O7 S2 -","- C46 H45 N6 O7 S2 -","- C184 H180 N24 O28 S8 -","4","1","","Salunke, Rahul Vilas; Mishra, Pawan Kumar; Sanghvi, Yogesh S.; Ramesh, Namakkal G.","Synthesis of novel homoazanucleosides and their peptidyl analogs.","Organic & biomolecular chemistry","2020","18","29","5639","5651","10.1039/d0ob01046d","","","0.71073","MoKα","","0.3148","0.1246","","","0.2737","0.3622","","","","","","1","","","","has coordinates","255077","2020-10-21","18:00:00",""
"7157565","5.4636","0.001","15.231","0.003","18.032","0.004","90","","90","","90","","1500.6","0.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl2 N4 O4 -","- C11 H20 Cl2 N4 O4 -","- C44 H80 Cl8 N16 O16 -","4","1","","Salunke, Rahul Vilas; Mishra, Pawan Kumar; Sanghvi, Yogesh S.; Ramesh, Namakkal G.","Synthesis of novel homoazanucleosides and their peptidyl analogs.","Organic & biomolecular chemistry","2020","18","29","5639","5651","10.1039/d0ob01046d","","","0.71073","MoKα","","0.0587","0.0524","","","0.1395","0.1438","","","","","","1.086","","","","has coordinates","255077","2020-10-21","18:00:00",""
"7157566","12.1801","0.00012","12.77485","0.0001","25.8213","0.0002","90","","90","","90","","4017.77","0.06","100","0.1","100.01","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Cl Fe2 N2 O2 P Pd2 -","- C44 H46 Cl Fe2 N2 O2 P Pd2 -","- C176 H184 Cl4 Fe8 N8 O8 P4 Pd8 -","4","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher J.","Planar chiral palladacycle precatalysts for asymmetric synthesis.","Organic & biomolecular chemistry","2020","18","28","5466","5472","10.1039/d0ob01331e","","x-ray","0.71073","MoKα","","0.015","0.0147","","","0.0377","0.0378","","","","","","1.068","","","","has coordinates","255088","2020-10-21","18:00:00",""
"7157567","6.155","0.0005","15.283","0.0011","10.6069","0.0009","90","","94.491","0.006","90","","994.69","0.14","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H19 F N2 O2 -","- C25 H19 F N2 O2 -","- C50 H38 F2 N4 O4 -","2","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Sushmita, ?; Verma, Akhilesh K.","Synthesis of cyclopentaquinolinone and cyclopentapyridinone from ortho-alkynyl-N-arylaldehyde via superbase-promoted C-N, C-O and C-C bond formation.","Organic & biomolecular chemistry","2020","18","29","5594","5601","10.1039/d0ob01281e","","","0.71073","MoKα","","0.0987","0.0579","","","0.1079","0.1348","","","","","","1.007","","","","has coordinates","255081","2020-10-21","18:00:00",""
"7157568","16.8293","0.0003","16.2265","0.0002","20.227","0.0003","90","","109.526","0.0019","90","","5205.93","0.15","141.3","0.2","141.3","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 F3 N6 O -","- C31 H21 F3 N6 O -","- C248 H168 F24 N48 O8 -","8","2","","Deng, Jiajie; Wu, Xueting; Guo, Guiling; Zhao, Xiaohu; Yu, Zhipeng","Photoisomerization-enhanced 1,3-dipolar cycloaddition of carbon-bridged octocyclic azobenzene with photo-released nitrile imine for peptide stapling and imaging in live cells.","Organic & biomolecular chemistry","2020","18","29","5602","5607","10.1039/d0ob01027h","","x-ray","1.54184","CuKα","","0.0706","0.0632","","","0.1728","0.1825","","","","","","1.024","","","","has coordinates","255082","2020-10-21","18:00:00",""
"7157569","12.3316","0.0005","12.7106","0.0005","14.1603","0.0006","90","","90","","90","","2219.51","0.16","139","","139","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C112 H96 N16 -","8","1","","Deng, Jiajie; Wu, Xueting; Guo, Guiling; Zhao, Xiaohu; Yu, Zhipeng","Photoisomerization-enhanced 1,3-dipolar cycloaddition of carbon-bridged octocyclic azobenzene with photo-released nitrile imine for peptide stapling and imaging in live cells.","Organic & biomolecular chemistry","2020","18","29","5602","5607","10.1039/d0ob01027h","","x-ray","1.54184","CuKα","","0.0563","0.0539","","","0.1424","0.1454","","","","","","1.066","","","","has coordinates","255082","2020-10-21","18:00:00",""
"7157570","4.7274","0.0002","17.782","0.0005","10.734","0.0004","90","","98.994","0.004","90","","891.23","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","febuxostat ethanol solvate","2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ethanol solvate","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C36 H44 N4 O8 S2 -","2","1","","Zhao, Jia-Hui; Zhou, Zhao-Zhao; Zhang, Yue; Su, Xuan; Chen, Xi-Meng; Liang, Yong-Min","Visible-light-mediated borylation of aryl and alkyl halides with a palladium complex.","Organic & biomolecular chemistry","2020","18","23","4390","4394","10.1039/d0ob00028k","","x-ray","0.71073","MoKα","","0.0325","0.0298","","","0.0743","0.0768","","","","","","1.041","","","","has coordinates","257924","2020-10-21","18:00:00",""
"7157571","5.6626","0.0004","9.7839","0.0008","32.396","0.002","90","","89.786","0.006","90","","1794.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Br O -","- C23 H21 Br O -","- C92 H84 Br4 O4 -","4","1","","Satam, Nishikant; Nemu, Saumyadip; Gururaja, Guddeangadi N.; Namboothiri, Irishi N. N.","Substrate-oriented selectivity in the Mg-mediated conjugate addition of bromoform to electron-deficient alkenes.","Organic & biomolecular chemistry","2020","18","29","5697","5707","10.1039/d0ob00599a","","","0.71073","MoKα","","0.0685","0.0464","","","0.0918","0.1026","","","","","","1.031","","","","has coordinates","255083","2020-10-21","18:00:00",""
"7157572","9.3505","0.0004","14.6227","0.0006","13.7913","0.0006","90","","94.177","0.004","90","","1880.67","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br2 O -","- C22 H20 Br2 O -","- C88 H80 Br8 O4 -","4","1","","Satam, Nishikant; Nemu, Saumyadip; Gururaja, Guddeangadi N.; Namboothiri, Irishi N. N.","Substrate-oriented selectivity in the Mg-mediated conjugate addition of bromoform to electron-deficient alkenes.","Organic & biomolecular chemistry","2020","18","29","5697","5707","10.1039/d0ob00599a","","x-ray","0.71073","MoKα","","0.0442","0.0318","","","0.069","0.0749","","","","","","1.064","","","","has coordinates","255083","2020-10-21","18:00:00",""
"7157573","9.541","0.003","16.928","0.005","12.1","0.004","90","","102.664","0.004","90","","1906.7","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Br2 N O -","- C23 H17 Br2 N O -","- C92 H68 Br8 N4 O4 -","4","1","","Satam, Nishikant; Nemu, Saumyadip; Gururaja, Guddeangadi N.; Namboothiri, Irishi N. N.","Substrate-oriented selectivity in the Mg-mediated conjugate addition of bromoform to electron-deficient alkenes.","Organic & biomolecular chemistry","2020","18","29","5697","5707","10.1039/d0ob00599a","","","0.7107","MoKα","","0.045","0.0365","","","0.0815","0.0832","","","","","","0.941","","","","has coordinates","255083","2020-10-21","18:00:00",""
"7157574","8.002","0.0016","12.123","0.002","12.728","0.003","75.11","0.03","76.29","0.03","77.95","0.03","1144.8","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N4 O5 -","- C27 H24 N4 O5 -","- C54 H48 N8 O10 -","2","1","","Cheng, Cheng; Sun, Xiaobin; Miao, Zhiwei","A PPh<sub>3</sub>-catalyzed sequential annulation reaction to construct cyclopentane-fused dihydropyrazolone-pyrrolidinediones.","Organic & biomolecular chemistry","2020","18","29","5577","5581","10.1039/d0ob00815j","","","0.71073","MoKα","","0.0849","0.0524","","","0.1247","0.1699","","","","","","1.013","","","","has coordinates","255084","2020-10-21","18:00:00",""
"7157575","9.2914","0.0001","14.7113","0.0002","9.9029","0.0001","90","","94.55","0.001","90","","1349.35","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1S,2R)-2-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2-fluorophenyl)-2-phenylethyl)furan-3-carbaldehyde","","- C33 H35 F O3 -","- C33 H35 F O3 -","- C66 H70 F2 O6 -","2","1","","Przydacz, Artur; Dyguda, Mateusz; Topolska, Aleksandra; Skrzyńska, Anna; Xu, Chang-Jiang; Chen, Ying-Chun; Albrecht, Łukasz","Doubly vinylogous and doubly rearomative functionalization of 2-alkyl-3-furfurals.","Organic & biomolecular chemistry","2020","18","30","5816","5821","10.1039/d0ob00788a","","x-ray","1.54184","CuKα","","0.032","0.0313","","","0.0927","0.0931","","","","","","1.079","","","","has coordinates","257912","2020-10-21","18:00:00",""
"7157576","12.1334","0.0013","10.35","0.0011","18.7632","0.0018","90","","95.327","0.01","90","","2346.1","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 O8 -","- C58 H60 O8 -","- C116 H120 O16 -","2","0.5","","Basu, Pallabita; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of indenofurans, benzofurans and spiro-lactones via Hauser-Kraus annulation involving 1,6-addition of phthalide to quinone methides.","Organic & biomolecular chemistry","2020","18","29","5677","5687","10.1039/d0ob01115k","","","0.71073","MoKα","","0.1488","0.0691","","","0.1184","0.163","","","","","","1.006","","","","has coordinates","255079","2020-10-21","18:00:00",""
"7157577","19.904","0.0006","11.4024","0.0004","21.6619","0.0007","90","","90","","90","","4916.2","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H30 O4 -","- C29 H30 O4 -","- C232 H240 O32 -","8","1","","Basu, Pallabita; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of indenofurans, benzofurans and spiro-lactones via Hauser-Kraus annulation involving 1,6-addition of phthalide to quinone methides.","Organic & biomolecular chemistry","2020","18","29","5677","5687","10.1039/d0ob01115k","","","0.71073","MoKα","","0.0628","0.0498","","","0.1223","0.1309","","","","","","1.164","","","","has coordinates","255079","2020-10-21","18:00:00",""
"7157578","8.648","0.0007","17.1737","0.0013","18.084","0.0017","90","","98.244","0.008","90","","2658","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 O4 -","- C30 H30 O4 -","- C120 H120 O16 -","4","1","","Basu, Pallabita; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of indenofurans, benzofurans and spiro-lactones via Hauser-Kraus annulation involving 1,6-addition of phthalide to quinone methides.","Organic & biomolecular chemistry","2020","18","29","5677","5687","10.1039/d0ob01115k","","","0.71073","MoKα","","0.1276","0.0738","","","0.1989","0.271","","","","","","1.057","","","","has coordinates","255079","2020-10-21","18:00:00",""
"7157579","8.1345","0.0002","11.3251","0.0003","19.1576","0.0005","90","","92.945","0.007","90","","1762.54","0.08","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H15 Cl -","- C26 H15 Cl -","- C104 H60 Cl4 -","4","1","","Takano, Hideaki; Okazaki, Sari; Nishibe, Shun; Ito, Takeharu; Shiozawa, Natsumi; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Gold-catalyzed dual C-C bond cleavage of biphenylenes bearing a pendant alkyne at ambient temperature.","Organic & biomolecular chemistry","2020","18","30","5826","5831","10.1039/d0ob01211d","","","1.54187","CuKα","","0.0774","0.0581","","","0.1402","0.1529","","","","","","1.027","","","","has coordinates","257916","2020-10-21","18:00:00",""
"7157580","7.5655","0.0002","10.9027","0.0003","11.088","0.0003","113.594","0.008","103.447","0.007","93.898","0.007","801.74","0.08","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H17 Cl -","- C23 H17 Cl -","- C46 H34 Cl2 -","2","1","","Takano, Hideaki; Okazaki, Sari; Nishibe, Shun; Ito, Takeharu; Shiozawa, Natsumi; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Gold-catalyzed dual C-C bond cleavage of biphenylenes bearing a pendant alkyne at ambient temperature.","Organic & biomolecular chemistry","2020","18","30","5826","5831","10.1039/d0ob01211d","","","1.54187","CuKα","","0.0508","0.0459","","","0.1253","0.1279","","","","","","1.113","","","","has coordinates","257916","2020-10-21","18:00:00",""
"7157581","19.2706","0.0014","4.9741","0.0004","33.688","0.002","90","","102.847","0.007","90","","3148.3","0.4","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 Cl -","- C23 H17 Cl -","- C184 H136 Cl8 -","8","1","","Takano, Hideaki; Okazaki, Sari; Nishibe, Shun; Ito, Takeharu; Shiozawa, Natsumi; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori","Gold-catalyzed dual C-C bond cleavage of biphenylenes bearing a pendant alkyne at ambient temperature.","Organic & biomolecular chemistry","2020","18","30","5826","5831","10.1039/d0ob01211d","","","1.54187","CuKα","","0.1933","0.0883","","","0.132","0.1586","","","","","","1.031","","","","has coordinates","257916","2020-10-21","18:00:00",""
"7157582","10.333","0.004","10.46","0.004","11.583","0.005","88.838","0.005","68.455","0.005","79.684","0.006","1144.2","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 F3 N O2 -","- C29 H20 F3 N O2 -","- C58 H40 F6 N2 O4 -","2","1","","Zhang, Yi-Zhu; Sheng, Feng-Tao; Zhu, Zuoquan; Li, Zhi-Ming; Zhang, Shu; Tan, Wei; Shi, Feng","Organocatalytic C3-functionalization of indolizines: synthesis of biologically important indolizine derivatives.","Organic & biomolecular chemistry","2020","18","29","5688","5696","10.1039/d0ob01230k","","","0.71073","MoKα","","0.0887","0.0555","","","0.142","0.1617","","","","","","1.034","","","","has coordinates,has disorder","255078","2020-10-21","18:00:00",""
"7157583","4.837","0.0016","12.644","0.004","18.82","0.007","90","","91.7","0.006","90","","1150.5","0.7","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 F3 O3 S -","- C10 H9 F3 O3 S -","- C40 H36 F12 O12 S4 -","4","1","","Wang, Meng-Yue; Zhu, Xue-Qing; Zhang, Xing-Long; Guo, Rui-Li; Jia, Qiong; Wang, Yong-Qiang","Synthesis of trifluoromethylthioesters from aldehydes via a visible light-promoted radical process.","Organic & biomolecular chemistry","2020","18","30","5918","5926","10.1039/d0ob01160f","","","0.71073","MoKα","","0.0861","0.0512","","","0.116","0.1315","","","","","","1.013","","","","has coordinates","257915","2020-10-21","18:00:00",""
"7157584","23.1727","0.0009","29.8856","0.0016","8.3703","0.0003","90","","90","","90","","5796.7","0.4","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","(E)-11,13-bis(benzyloxy)-4,5,5,9-tetramethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C33 H36 O5 -","- C33 H36 O5 -","- C264 H288 O40 -","8","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","1.54178","CuKα","","0.1735","0.1103","","","0.2688","0.3518","","","","","","1.065","","","","has coordinates","257914","2020-10-21","18:00:00",""
"7157585","7.2297","0.0006","15.8502","0.0009","25.683","0.002","90","","95.935","0.007","90","","2927.3","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-11,13-bis(benzyloxy)-9-ethyl-4,5,5-trimethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C34 H38 O5 -","- C34 H38 O5 -","- C136 H152 O20 -","4","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","0.71073","MoKα","","0.1988","0.1002","","","0.1559","0.2032","","","","","","1.135","","","","has coordinates,has disorder","257914","2020-10-21","18:00:00",""
"7157586","11.1913","0.0005","36.617","0.002","8.3725","0.0005","90","","90","","90","","3431","0.3","120","2","120","2","","","","","","","","4","I b a 2","I 2 -2c","45","","(E)-14-chloro-11,13-dihydroxy-4,5,5,9-tetramethyl-4,5,6,7-tetrahydro-2H-benzo[d][1]oxacyclododecine-2,10(1H)-dione","","- C19 H23 Cl O5 -","- C19 H23 Cl O5 -","- C152 H184 Cl8 O40 -","8","1","","Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till","Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones.","Organic & biomolecular chemistry","2020","18","30","5906","5917","10.1039/d0ob00958j","","","0.71073","MoKα","","0.0651","0.0472","","","0.1008","0.114","","","","","","1.07","","","","has coordinates","257914","2020-10-21","18:00:00",""
"7157587","7.5792","0.0005","17.262","0.0008","7.5865","0.0003","90","","95.065","0.005","90","","988.68","0.09","293.61","0.1","293.61","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","x-ray","1.54184","CuKα","","0.0573","0.0451","","","0.1163","0.1279","","","","","","1.033","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157588","32.6901","0.0005","12.36143","0.00017","7.35394","0.00011","90","","90","","90","","2971.7","0.08","294.04","0.1","294.04","0.1","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C128 H176 O40 -","8","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","x-ray","1.54184","CuKα","","0.0445","0.0396","","","0.1035","0.1081","","","","","","1.028","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157589","10.2175","0.0005","13.7827","0.0005","12.933","0.0005","90","","111.529","0.005","90","","1694.22","0.14","293.83","0.1","293.83","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","","1.54184","CuKα","","0.062","0.0508","","","0.1343","0.1469","","","","","","1.065","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157590","8.3946","0.0002","11.481","0.0003","15.2872","0.0004","90","","90","","90","","1473.36","0.06","292.64","0.1","292.64","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","","1.54184","CuKα","","0.0319","0.0288","","","0.0696","0.0718","","","","","","1.053","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157591","27.5479","0.0008","6.3331","0.0002","18.4336","0.0005","90","","91.28","0.003","90","","3215.19","0.16","292.1","0.1","292.1","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","","1.54184","CuKα","","0.0432","0.0391","","","0.1074","0.1114","","","","","","1.057","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157592","9.8324","0.0003","10.2354","0.0003","15.6234","0.0005","103.229","0.001","97.742","0.001","105.191","0.001","1445.05","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H29 N O3 -","- C38 H29 N O3 -","- C76 H58 N2 O6 -","2","1","","Yang, Ye-Fei; Huang, Xiao-Bo; Gao, Wen-Xia; Zhou, Yun-Bing; Liu, Miao-Chang; Wu, Hua-Yue","Ag<sub>2</sub>O-promoted ring-opening reactions of cyclopropenones with oximes.","Organic & biomolecular chemistry","2020","18","30","5822","5825","10.1039/d0ob00601g","","","0.71073","MoKα","","0.0554","0.041","","","0.0995","0.111","","","","","","1.044","","","","has coordinates","257917","2020-10-21","18:00:00",""
"7157593","9.0969","0.0008","11.7978","0.0008","14.1107","0.0011","90","","97.79","0.008","90","","1500.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O S2 -","- C15 H14 N2 O S2 -","- C60 H56 N8 O4 S8 -","4","1","","Shally, ?; Althagafi, Ismail; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra","A [5 + 1] annulation strategy for the synthesis of multifunctional biaryls and p-teraryls from 1,6-Michael acceptor ketene dithioacetals.","Organic & biomolecular chemistry","2020","18","32","6407","6417","10.1039/d0ob00998a","","","0.71073","MoKα","","0.0551","0.0425","","","0.107","0.1326","","","","","","0.425","","","","has coordinates","256161","2020-10-21","18:00:00",""
"7157594","8.4509","0.0008","10.7362","0.0009","11.5735","0.0009","108.414","0.007","104.992","0.007","100.036","0.007","924.09","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Br N3 O2 S -","- C20 H14 Br N3 O2 S -","- C40 H28 Br2 N6 O4 S2 -","2","1","","Shally, ?; Althagafi, Ismail; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra","A [5 + 1] annulation strategy for the synthesis of multifunctional biaryls and p-teraryls from 1,6-Michael acceptor ketene dithioacetals.","Organic & biomolecular chemistry","2020","18","32","6407","6417","10.1039/d0ob00998a","","","0.71073","MoKα","","0.1028","0.0661","","","0.2086","0.2492","","","","","","0.864","","","","has coordinates","256161","2020-10-21","18:00:00",""
"7157595","8.2991","0.0006","9.0692","0.0006","13.6609","0.0009","94.077","0.005","104.535","0.006","105.981","0.006","945.91","0.12","298","","298","","","","","","","","","3","P -1","-P 1","2","","abc","","- C23 H26 N2 -","- C23 H26 N2 -","- C46 H52 N4 -","2","1","","Shaw, Ranjay; Althagafi, Ismail; Elagamy, Amr; Rai, Reeta; Shah, Chandan; Nemaysh, Vishal; Singh, Harpreet; Pratap, Ramendra","Transition metal-free synthesis of sterically hindered allylarenes from 5-hexene-2-one.","Organic & biomolecular chemistry","2020","18","32","6276","6286","10.1039/d0ob01318h","","x-ray","0.71073","MoKα","","0.1232","0.063","","","0.1249","0.1583","","","","","","1.0431","","","","has coordinates","256163","2020-10-21","18:00:00",""
"7157596","9.0216","0.0003","10.1719","0.0003","17.318","0.0007","90","","101.519","0.004","90","","1557.21","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","prs315B","","- C2.483 H2.345 N0.138 S0.138 -","- C2.48276 H2.34483 N0.137931 S0.137931 -","- C72 H68 N4 S4 -","29","7.25","","Shaw, Ranjay; Althagafi, Ismail; Elagamy, Amr; Rai, Reeta; Shah, Chandan; Nemaysh, Vishal; Singh, Harpreet; Pratap, Ramendra","Transition metal-free synthesis of sterically hindered allylarenes from 5-hexene-2-one.","Organic & biomolecular chemistry","2020","18","32","6276","6286","10.1039/d0ob01318h","","x-ray","0.71073","MoKα","","0.0675","0.045","","","0.0899","0.099","","","","","","1.0456","","","","has coordinates","256163","2020-10-21","18:00:00",""
"7157597","7.6988","0.0002","11.4847","0.0003","30.9861","0.0009","90","","90","","90","","2739.74","0.13","100","","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 N O2 S -","- C17 H13 N O2 S -","- C136 H104 N8 O16 S8 -","8","1","","Dai, Tianzi; Cui, Chen; Qi, Xueyu; Cheng, Yanshu; He, Qian; Zhang, Xiaofei; Luo, Xiaomin; Yang, Chunhao","Regioselective synthesis of substituted thiazoles via cascade reactions from 3-chlorochromones and thioamides.","Organic & biomolecular chemistry","2020","18","31","6162","6170","10.1039/d0ob01019g","","","0.71073","MoKα","","0.0635","0.0447","","","0.0974","0.1082","","","","","","1.021","","","","has coordinates","256173","2020-10-21","18:00:00",""
"7157598","7.4364","0.0005","26.4068","0.0016","8.4485","0.0005","90","","94.973","0.002","90","","1652.8","0.18","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C80 H60 N4 O8 S4 -","4","1","","Sarkar, Writhabrata; Bhowmik, Arup; Das, Sumit; Sulekha, Aiswarya Balaram; Mishra, Aniket; Deb, Indubhusan","Iridium-catalyzed direct C-H arylation of cyclic <i>N</i>-sulfonyl ketimines with arylsiloxanes at ambient temperature.","Organic & biomolecular chemistry","2020","18","36","7074","7078","10.1039/d0ob01212b","","","0.71073","MoKα","","0.0477","0.0461","","","0.1078","0.1089","","","","","","1.086","","","","has coordinates","258969","2020-11-06","13:12:26",""
"7157599","9.9907","0.0002","8.1808","0.0002","19.0908","0.0005","90","","90.216","0.001","90","","1560.32","0.06","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O3 S -","- C19 H13 N O3 S -","- C76 H52 N4 O12 S4 -","4","1","","Sarkar, Writhabrata; Bhowmik, Arup; Das, Sumit; Sulekha, Aiswarya Balaram; Mishra, Aniket; Deb, Indubhusan","Iridium-catalyzed direct C-H arylation of cyclic <i>N</i>-sulfonyl ketimines with arylsiloxanes at ambient temperature.","Organic & biomolecular chemistry","2020","18","36","7074","7078","10.1039/d0ob01212b","","","1.54184","CuKα","","0.0622","0.0589","","","0.1253","0.1269","","","","","","1.226","","","","has coordinates","258969","2020-11-06","13:12:35",""
"7157600","8.107","0.007","11.495","0.009","19.194","0.016","90","","93.585","0.01","90","","1785","3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O4 S -","- C20 H15 N O4 S -","- C80 H60 N4 O16 S4 -","4","1","","Sarkar, Writhabrata; Bhowmik, Arup; Das, Sumit; Sulekha, Aiswarya Balaram; Mishra, Aniket; Deb, Indubhusan","Iridium-catalyzed direct C-H arylation of cyclic <i>N</i>-sulfonyl ketimines with arylsiloxanes at ambient temperature.","Organic & biomolecular chemistry","2020","18","36","7074","7078","10.1039/d0ob01212b","","","0.71073","MoKα","","0.1832","0.0956","","","0.2265","0.3164","","","","","","0.966","","","","has coordinates","258969","2020-11-06","13:12:35",""
"7157601","19.975","0.008","4.999","0.002","17.26","0.007","90","","110.614","0.007","90","","1613.1","1.1","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Cheng, Bin; Li, Hui; Duan, Shengguo; Zhang, Xinping; He, Yixuan; Li, Yuntong; Li, Yun; Wang, Taimin; Zhai, Hongbin","Synthesis of indolizines from pyridinium 1,4-zwitterionic thiolates and propiolic acid derivatives via a formal [4 + 1] pathway.","Organic & biomolecular chemistry","2020","18","32","6253","6257","10.1039/d0ob01398f","","","0.71073","MoKα","","0.1179","0.0609","","","0.1694","0.2168","","","","","","0.996","","","","has coordinates","256158","2020-10-21","18:00:00",""
"7157602","12.4739","0.0014","7.4371","0.0008","16.2909","0.0019","90","","110.59","0.005","90","","1414.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C68 H64 N8 O4 -","2","0.5","","Aegurla, Balakrishna; Jarwal, Nisha; Peddinti, Rama Krishna","Denitrative imino-diaza-Nazarov cyclization: synthesis of pyrazoles.","Organic & biomolecular chemistry","2020","18","31","6100","6107","10.1039/d0ob01200a","","","0.71073","MoKα","","0.069","0.0472","","","0.1347","0.1794","","","","","","0.597","","","","has coordinates","256174","2020-10-21","18:00:00",""
"7157603","7.4922","0.0019","10.184","0.003","11.624","0.003","87.81","0.004","75.567","0.004","79.756","0.004","845.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 B F4 I O2 -","- C16 H18 B F4 I O2 -","- C32 H36 B2 F8 I2 O4 -","2","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.03","0.0283","","","0.0702","0.0709","","","","","","1.032","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157604","12.965","0.002","11.911","0.002","13.389","0.002","90","","102.163","0.003","90","","2021.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 B F4 I O2 -","- C21 H20 B F4 I O2 -","- C84 H80 B4 F16 I4 O8 -","4","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0358","0.0308","","","0.0735","0.0758","","","","","","1.033","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157605","11.995","0.005","14.196","0.006","22.602","0.01","90","","90","","90","","3849","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H18 B F4 I O -","- C21 H18 B F4 I O -","- C168 H144 B8 F32 I8 O8 -","8","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0528","0.0388","","","0.0814","0.0862","","","","","","1.058","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157606","8.4537","0.0014","11.6591","0.0019","12.124","0.002","66.609","0.002","87.336","0.003","76.601","0.002","1065.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F3 I O4 S -","- C22 H18 F3 I O4 S -","- C44 H36 F6 I2 O8 S2 -","2","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0323","0.0299","","","0.0735","0.0747","","","","","","1.041","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157607","13.148","0.003","13.175","0.002","16.115","0.003","83.966","0.003","86.472","0.003","60.099","0.003","2406.4","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 I O4 S -","- C28 H25 I O4 S -","- C112 H100 I4 O16 S4 -","4","2","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0503","0.0377","","","0.0713","0.075","","","","","","0.947","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157608","15.542","0.0006","16.5195","0.0006","20.2175","0.0007","74.481","0.002","69.188","0.002","67.602","0.002","4433.3","0.3","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H117 N3 O18 S3 -","- C90 H117 N3 O18 S3 -","- C180 H234 N6 O36 S6 -","2","1","","Cera, Gianpiero; Balestri, Davide; Bazzoni, Margherita; Marchiò, Luciano; Secchi, Andrea; Arduini, Arturo","Trisulfonamide calix[6]arene-catalysed Michael addition to nitroalkenes.","Organic & biomolecular chemistry","2020","18","32","6241","6246","10.1039/d0ob01319f","","","1.54178","CuKα","","0.1658","0.0698","","","0.154","0.1963","","","","","","1.003","","","","has coordinates,has disorder","256160","2020-10-21","18:00:00",""
"7157609","15.8835","0.0003","7.9818","0.0002","18.7804","0.0004","90","","98.45","0.001","90","","2355.11","0.09","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis,trans-indigo dimer","","","- C128 H72 N16 O16 -","- C128 H72 N16 O16 -","- C128 H72 N16 O16 -","1","0.25","","Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.","Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.","Organic & biomolecular chemistry","2020","18","30","5838","5842","10.1039/d0ob01368d","","","0.71073","MoKα","","0.063","0.0474","","","0.1199","0.1297","","","","","","1.048","","","","has coordinates","257913","2020-10-21","18:00:00",""
"7157610","39.337","0.003","13.8936","0.001","28.683","0.002","90","","93.498","0.004","90","","15647","2","90","2","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H17.07 N2.13 O3.2 -","- C28 H17.0667 N2.13333 O3.2 -","- C840 H512 N64 O96 -","30","3.75","","Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.","Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.","Organic & biomolecular chemistry","2020","18","30","5838","5842","10.1039/d0ob01368d","","","0.71073","MoKα","","0.0763","0.0522","","","0.1395","0.1575","","","","","","0.988","","","","has coordinates,has disorder","257913","2020-10-21","18:00:00",""
"7157611","27.7629","0.0015","10.8917","0.0006","17.5795","0.0009","90","","113.574","0.004","90","","4872.1","0.5","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis,cis-indigo dimer","","","- C256 H152 N32 O36 -","- C256 H152 N32 O36 -","- C256 H152 N32 O36 -","1","0.125","","Hong, Hyejin; Conover, Cassidy M.; Hofsommer, Dillon T.; Sanz, Corey A.; Hicks, Robin G.","Discovery and properties of a new indigoid structure type based on dimeric cis-indigos.","Organic & biomolecular chemistry","2020","18","30","5838","5842","10.1039/d0ob01368d","","","1.54184","CuKα","","0.0552","0.0382","","","0.0836","0.0914","","","","","","1.016","","","","has coordinates","257913","2020-10-21","18:00:00",""
"7157612","8.2647","0.0004","19.7204","0.0011","11.6058","0.0006","90","","95.308","0.002","90","","1883.44","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Br N O4 S -","- C21 H16 Br N O4 S -","- C84 H64 Br4 N4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0372","0.0278","","","0.0598","0.0629","","","","","","1.041","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157613","11.8834","0.0007","8.8469","0.0005","23.6723","0.0012","90","","91.109","0.002","90","","2488.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N2 O5 -","- C31 H23 N2 O5 -","- C124 H92 N8 O20 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0692","0.0571","","","0.153","0.1635","","","","","","1.034","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157614","13.1453","0.0016","12.9849","0.0018","16.874","0.003","90","","96.328","0.005","90","","2862.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Br2 N2 O5 -","- C33 H27 Br2 N2 O5 -","- C132 H108 Br8 N8 O20 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.1029","0.0504","","","0.1123","0.1318","","","","","","1.043","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157615","13.89","0.0007","16.8786","0.0009","17.2527","0.0009","64.295","0.002","88.306","0.002","73.213","0.002","3467.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H28 N2 O5 -","- C39 H28 N2 O5 -","- C156 H112 N8 O20 -","4","2","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0901","0.0572","","","0.1346","0.1558","","","","","","1.039","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157616","13.3171","0.0006","15.1045","0.0007","16.7543","0.0006","77.235","0.002","76.167","0.002","67.821","0.003","2998","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H56 Br4 N4 O12 -","- C66 H56 Br4 N4 O12 -","- C132 H112 Br8 N8 O24 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.0597","0.0376","","","0.0805","0.0879","","","","","","1.023","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157617","10.533","0.0004","26.861","0.0011","12.2233","0.0005","90","","115.334","0.001","90","","3125.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Br2 Cl3 N2 O5 -","- C33 H24 Br2 Cl3 N2 O5 -","- C132 H96 Br8 Cl12 N8 O20 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","1.54178","CuKα","","0.0531","0.0518","","","0.1341","0.143","","","","","","1.12","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157618","10.9174","0.0014","11.9111","0.0014","12.3891","0.0014","69.112","0.011","87.877","0.01","65.53","0.012","1358.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 Cl2 N2 O5 -","- C31 H22 Cl2 N2 O5 -","- C62 H44 Cl4 N4 O10 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","","0.71073","MoKα","","0.193","0.1112","","","0.2688","0.3225","","","","","","1.014","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157619","10.8001","0.0006","11.3693","0.0006","13.4193","0.0005","89.11","0.004","67.91","0.004","68.542","0.005","1406.67","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 Cl2 N2 O5 -","- C31 H22 Cl2 N2 O5 -","- C62 H44 Cl4 N4 O10 -","2","1","","Chang, Meng-Yang; Chen, Kuan-Ting; Chen, Han-Yu","One-pot construction of dispirocyclohexanes via K<sub>2</sub>CO<sub>3</sub>-mediated desulfonylative Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl flavanones and methylketones.","Organic & biomolecular chemistry","2020","18","32","6297","6311","10.1039/d0ob01404d","","x-ray","0.71073","MoKα","","0.1426","0.0846","","","0.2025","0.2297","","","","","","1.063","","","","has coordinates","256162","2020-10-21","18:00:00",""
"7157620","9.29096","0.00014","14.5006","0.0002","20.3184","0.0003","90","","90","","90","","2737.39","0.07","291.6","0.2","291.6","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N7 O12 -","- C20 H27 N7 O12 -","- C80 H108 N28 O48 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","1.54184","CuKα","","0.0574","0.054","","","0.143","0.1492","","","","","","1.038","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157621","19.7672","0.0008","19.7672","0.0008","23.6968","0.0012","90","","90","","120","","8018.8","0.6","293","2","293.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C40 H35 N7 O12 -","- C40 H35 N7 O12 -","- C240 H210 N42 O72 -","6","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.1515","0.0819","","","0.2096","0.2662","","","","","","1.035","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157622","8.6304","0.0006","10.8741","0.0009","22.9325","0.0014","90","","90","","90","","2152.2","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl3 N6 O8 -","- C14 H16 Cl3 N6 O8 -","- C56 H64 Cl12 N24 O32 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0806","0.0594","","","0.142","0.1562","","","","","","1.03","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157623","8.6075","0.0007","10.7485","0.0009","33.736","0.003","90","","90","","90","","3121.2","0.5","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N10 O10 -","- C18 H24 N10 O10 -","- C72 H96 N40 O40 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0974","0.0717","","","0.1976","0.2188","","","","","","0.966","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157624","7.2784","0.0007","9.2019","0.001","26.166","0.003","90","","90","","90","","1752.5","0.3","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N6 O8 -","- C13 H16 N6 O8 -","- C52 H64 N24 O32 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0687","0.0461","","","0.0845","0.095","","","","","","1.018","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157625","9.2129","0.0004","40.7685","0.0017","12.8563","0.0005","90","","90.32","0.003","90","","4828.7","0.3","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N6 O11 -","- C17 H22 N6 O11 -","- C136 H176 N48 O88 -","8","4","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0741","0.0499","","","0.1143","0.1318","","","","","","1.015","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157626","12.9906","0.0004","11.1438","0.0004","14.8377","0.0007","90","","103.257","0.004","90","","2090.73","0.14","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H39 F3 N8 O13 -","- C37 H39 F3 N8 O13 -","- C74 H78 F6 N16 O26 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0802","0.0533","","","0.1204","0.1378","","","","","","1.031","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157627","7.7778","0.0005","13.2995","0.001","11.4128","0.0006","90","","91.458","0.005","90","","1180.17","0.13","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N6 O11 -","- C17 H22 N6 O11 -","- C34 H44 N12 O22 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0617","0.041","","","0.0881","0.0994","","","","","","1.047","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157628","9.6273","0.0012","8.8714","0.001","16.549","0.002","90","","101.469","0.011","90","","1385.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N7 O12 -","- C20 H27 N7 O12 -","- C40 H54 N14 O24 -","2","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.1129","0.0495","","","0.0969","0.1215","","","","","","0.95","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157629","7.5291","0.0008","7.4902","0.0008","17.0281","0.0019","90","","90","","90","","960.29","0.18","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Braire, Julien; Dorcet, Vincent; Vidal, Joëlle; Lalli, Claudia; Carreaux, François","BINOL derivatives-catalysed enantioselective allylboration of isatins: application to the synthesis of (R)-chimonamidine.","Organic & biomolecular chemistry","2020","18","31","6042","6046","10.1039/d0ob01386b","","x-ray","1.54178","CuKα","","0.0385","0.0376","","","0.1034","0.1042","","","","","","1.146","","","","has coordinates","256175","2020-10-21","18:00:00",""
"7157630","7.3607","0.0008","8.0406","0.0011","17.598","0.002","90","","90","","90","","1041.5","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Braire, Julien; Dorcet, Vincent; Vidal, Joëlle; Lalli, Claudia; Carreaux, François","BINOL derivatives-catalysed enantioselective allylboration of isatins: application to the synthesis of (R)-chimonamidine.","Organic & biomolecular chemistry","2020","18","31","6042","6046","10.1039/d0ob01386b","","x-ray","1.54178","CuKα","","0.1305","0.083","","","0.2006","0.2428","","","","","","1.015","","","","has coordinates","256175","2020-10-21","18:00:00",""
"7157631","10.5627","0.0003","8.8564","0.0003","19.8868","0.0007","90","","98.7088","0.0009","90","","1838.91","0.1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17.19 N3 O1.1 -","- C24 H17.196 N3 O1.098 -","- C96 H68.784 N12 O4.392 -","4","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0399","0.0365","","","0.0919","0.0964","","","","","","1.018","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157632","19.1254","0.0004","5.4936","0.0001","11.5714","0.0003","90","","98.8783","0.0009","90","","1201.21","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0473","0.0444","","","0.1113","0.1148","","","","","","1.063","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157633","26.7209","0.0006","15.6427","0.0003","11.8698","0.0003","90","","104.361","0.0004","90","","4806.38","0.19","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.25 H14.5 Br3 Cl0.5 N3 O -","- C24.25 H14.5 Br3 Cl0.5 N3 O -","- C194 H116 Br24 Cl4 N24 O8 -","8","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0655","0.0628","","","0.1673","0.1701","","","","","","1.05","","","","has coordinates,has disorder","256164","2020-10-21","18:00:00",""
"7157634","10.4157","0.0002","10.5063","0.0002","11.3815","0.0002","112.529","0.0008","108.753","0.0008","99.9684","0.0008","1024.96","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C54 H46 N6 O2 -","2","1","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.0437","0.0382","","","0.0935","0.1013","","","","","","1.04","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157635","14.1319","0.0005","3.8682","0.0001","15.5153","0.0005","90","","110.946","0.001","90","","792.1","0.04","200","2","200","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","2","","Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang","Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.","Organic & biomolecular chemistry","2020","18","32","6247","6252","10.1039/d0ob01298j","","","1.54178","CuKα","","0.027","0.026","","","0.0687","0.0704","","","","","","1.049","","","","has coordinates","256164","2020-10-21","18:00:00",""
"7157636","15.2304","0.0014","9.1246","0.0008","22.238","0.002","90","","95.627","0.001","90","","3075.6","0.5","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 O4 -","- C17 H28 O4 -","- C136 H224 O32 -","8","2","","Kobayashi, Toyoharu; Tomita, Yui; Kawamoto, Yuichiro; Ito, Hisanaka","Highly stereocontrolled total synthesis of secodolastane diterpenoid isolinearol.","Organic & biomolecular chemistry","2020","18","37","7316","7320","10.1039/d0ob01430c","","","0.71073","MoKα","","0.0596","0.0511","","","0.1352","0.1432","","","","","","1.054","","","","has coordinates","258944","2020-11-06","13:06:53",""
"7157637","10.559","0.002","8.9149","0.0017","19.341","0.004","90","","92.146","0.002","90","","1819.3","0.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Kobayashi, Toyoharu; Tomita, Yui; Kawamoto, Yuichiro; Ito, Hisanaka","Highly stereocontrolled total synthesis of secodolastane diterpenoid isolinearol.","Organic & biomolecular chemistry","2020","18","37","7316","7320","10.1039/d0ob01430c","","","0.71073","MoKα","","0.0444","0.0362","","","0.0896","0.0955","","","","","","1.012","","","","has coordinates","258944","2020-11-06","13:06:54",""
"7157638","9.4421","0.0002","14.8451","0.0004","19.2118","0.0004","90","","90","","90","","2692.9","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3 S4 -","- C28 H30 N2 O3 S4 -","- C112 H120 N8 O12 S16 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.0433","0.0401","","","0.0987","0.1003","","","","","","1.05","","","","has coordinates","256159","2020-10-21","18:00:00",""
"7157639","23.7837","0.0004","23.7837","0.0004","21.6038","0.0004","90","","90","","120","","10583.3","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H18 N2 O3 S4 -","- C22 H18 N2 O3 S4 -","- C396 H324 N36 O54 S72 -","18","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.0367","0.0342","","","0.098","0.0996","","","","","","1.074","","","","has coordinates","256159","2020-10-21","18:00:00",""
"7157640","12.482","0.0004","12.8583","0.0005","19.5132","0.0007","90","","90","","90","","3131.82","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 N2 O3 S4 -","- C34 H26 N2 O3 S4 -","- C136 H104 N8 O12 S16 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.069","0.0555","","","0.0856","0.0887","","","","","","1.113","","","","has coordinates","256159","2020-10-21","18:00:00",""
"7157641","7.1264","0.001","19.867","0.0019","19.419","0.003","90","","94.326","0.014","90","","2741.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br N3 -","- C16 H12 Br N3 -","- C128 H96 Br8 N24 -","8","2","","Chatterjee, Arpita; Murmu, Chudamani; Peruncheralathan, S.","Copper-catalysed <i>N</i>-arylation of 5-aminopyrazoles: a simple route to pyrazolo[3,4-<i>b</i>]indoles.","Organic & biomolecular chemistry","2020","18","33","6571","6581","10.1039/d0ob00812e","","x-ray","0.71073","MoKα","","0.1888","0.0994","","","0.2041","0.2384","","","","","","1.127","","","","has coordinates","256168","2020-10-21","18:00:00",""
"7157642","59.6625","0.0008","17.3644","0.0002","11.0242","0.0001","90","","90","","90","","11421.1","0.2","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","(5aR*,8aS*,9R*)-8-(Bis(4-chlorophenyl)methylene)-9-(4-methoxyphenyl)-5a,8,8a,9-tetrahydrocyclopenta[b][1,3]dioxolo[4,5-g]chromene","","- C36.5 H28 Cl2 O4 -","- C36.5 H28 Cl2 O4 -","- C584 H448 Cl32 O64 -","16","1","","Tanaka, Kenta; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi","Visible-light-induced [4 + 2] cycloaddition of pentafulvenes by organic photoredox catalysis.","Organic & biomolecular chemistry","2020","18","40","8074","8078","10.1039/d0ob01151g","","x-ray","1.54184","CuKα","","0.0316","0.031","","","0.0813","0.0817","","","","","","1.046","","","","has coordinates,has disorder","258960","2020-11-06","13:10:12",""
"7157643","15.2283","0.0002","9.8746","0.0001","18.4264","0.0002","90","","110.126","0.002","90","","2601.65","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5aS*,8aR*,9R*)-8-(Bis(4-chlorophenyl)methylene)-9-(4-methoxyphenyl)-5a,8,8a,9-tetrahydrocyclopenta[b][1,3]dioxolo[4,5-g]chromene","","- C33 H24 Cl2 O4 -","- C33 H24 Cl2 O4 -","- C132 H96 Cl8 O16 -","4","1","","Tanaka, Kenta; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi","Visible-light-induced [4 + 2] cycloaddition of pentafulvenes by organic photoredox catalysis.","Organic & biomolecular chemistry","2020","18","40","8074","8078","10.1039/d0ob01151g","","x-ray","1.54184","CuKα","","0.0365","0.0348","","","0.0912","0.0925","","","","","","1.031","","","","has coordinates","258960","2020-11-06","13:10:13",""
"7157644","17.6367","0.0015","13.5661","0.0012","14.5573","0.0013","90","","90","","90","","3483","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H16 N2 O4 -","- C21 H16 N2 O4 -","- C168 H128 N16 O32 -","8","1","","Sharma, Suraj; Dutta, Nibedita Baruah; Bhuyan, Mayurakhi; Das, Babulal; Baishya, Gakul","<i>tert</i>-Butylhydroperoxide (TBHP) mediated oxidative cross-dehydrogenative coupling of quinoxalin-2(1<i>H</i>)-ones with 4-hydroxycoumarins, 4-hydroxy-6-methyl-2-pyrone and 2-hydroxy-1,4-naphthoquinone under metal-free conditions.","Organic & biomolecular chemistry","2020","18","33","6537","6548","10.1039/d0ob01304h","","","0.71073","MoKα","","0.0716","0.0559","","","0.1459","0.1644","","","","","","1.18","","","","has coordinates","256169","2020-10-21","18:00:00",""
"7157645","9.621","0.002","8.003","0.002","33.196","0.009","90","","90","","90","","2556","1.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H32 N4 O8 -","- C24 H32 N4 O8 -","- C96 H128 N16 O32 -","4","1","","Taily, Irshad Maajid; Saha, Debarshi; Banerjee, Prabal","Palladium-catalyzed regio- and stereoselective access to allyl ureas/carbamates: facile synthesis of imidazolidinones and oxazepinones.","Organic & biomolecular chemistry","2020","18","33","6564","6570","10.1039/d0ob01514h","","","0.71073","MoKα","","0.093","0.0603","","","0.1467","0.1688","","","","","","1.08","","","","has coordinates","256170","2020-10-21","18:00:00",""
"7157646","8.0617","0.0006","26.398","0.003","11.8969","0.0014","90","","91.684","0.002","90","","2530.7","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Br N2 O5 -","- C26 H27 Br N2 O5 -","- C104 H108 Br4 N8 O20 -","4","1","","Taily, Irshad Maajid; Saha, Debarshi; Banerjee, Prabal","Palladium-catalyzed regio- and stereoselective access to allyl ureas/carbamates: facile synthesis of imidazolidinones and oxazepinones.","Organic & biomolecular chemistry","2020","18","33","6564","6570","10.1039/d0ob01514h","","","0.71073","MoKα","","0.1027","0.044","","","0.0795","0.0995","","","","","","1.009","","","","has coordinates","256170","2020-10-21","18:00:00",""
"7157647","10.495","0.002","21.897","0.004","7.842","0.0016","90","","96.57","0.03","90","","1790.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","","Ma, Liyao; Ou, Pengcheng; Huang, Xueliang","Divergent synthesis of 1,3,5-tri and 1,3-disubstituted pyrazoles under transition metal-free conditions.","Organic & biomolecular chemistry","2020","18","33","6487","6491","10.1039/d0ob01478h","","","0.71073","MoKα","","0.1035","0.0709","","","0.1888","0.2131","","","","","","1.198","","","","has coordinates","256167","2020-10-21","18:00:00",""
"7157648","13.5094","0.0016","11.092","0.0009","21.2668","0.0018","90","","90","","90","","3186.8","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C160 H120 N8 O24 -","8","1","","Yang, Fazhou; Liu, Ziyan; Liu, Hao; Shangguan, Yu; Deng, Hao; Huang, Jiaxing; Xiao, Yumei; Guo, Hongchao; Zhang, Cheng","Cu-Catalysed synthesis of benzo[f]indole-2,4,9(3H)-triones by the reaction of 2-amino-1,4-napthoquinones with α-bromocarboxylates.","Organic & biomolecular chemistry","2020","18","34","6724","6731","10.1039/d0ob00291g","","x-ray","0.71073","MoKα","","0.0607","0.0446","","","0.1005","0.1093","","","","","","1.075","","","","has coordinates","256183","2020-10-21","18:00:00",""
"7157649","15.0501","0.0004","23.9887","0.0008","6.1915","0.0002","90","","90","","90","","2235.33","0.12","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Cl2 N3 O4 S2 -","- C19 H23 Cl2 N3 O4 S2 -","- C76 H92 Cl8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0771","0.0508","","","0.1212","0.1375","","","","","","1.029","","","","has coordinates","258952","2020-11-06","13:08:23",""
"7157650","15.0587","0.0011","11.9394","0.0009","11.6556","0.0008","90","","90.844","0.004","90","","2095.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 F2 N3 O4 S2 -","- C19 H23 F2 N3 O4 S2 -","- C76 H92 F8 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0475","0.0368","","","0.0936","0.1008","","","","","","1.026","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157651","10.5857","0.0003","14.0014","0.0004","17.5197","0.0005","90","","90","","90","","2596.68","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl5 D N3 O4 S2 -","- C20 H23 Cl5 D N3 O4 S2 -","- C80 H92 Cl20 D4 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0286","0.0267","","","0.0648","0.0658","","","","","","1.056","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157652","15.0515","0.0005","23.4696","0.0008","6.1833","0.0002","90","","90","","90","","2184.27","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Cl2 N3 O4 S2 -","- C19 H23 Cl2 N3 O4 S2 -","- C76 H92 Cl8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.06","0.0395","","","0.0953","0.1106","","","","","","1.087","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157653","15.1555","0.0007","24.3132","0.0012","6.1544","0.0003","90","","90","","90","","2267.77","0.19","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 Br2 N3 O4 S2 -","- C19 H23 Br2 N3 O4 S2 -","- C76 H92 Br8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0816","0.0417","","","0.0793","0.0931","","","","","","1.011","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157654","10.4481","0.0002","14.3121","0.0003","16.4591","0.0003","90","","90","","90","","2461.2","0.08","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl3 D F2 N3 O4 S2 -","- C20 H23 Cl3 D F2 N3 O4 S2 -","- C80 H92 Cl12 D4 F8 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0417","0.0347","","","0.0796","0.083","","","","","","1.028","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157655","15.4374","0.0004","24.9622","0.0006","6.1336","0.0002","90","","90","","90","","2363.59","0.11","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 I2 N3 O4 S2 -","- C19 H23 I2 N3 O4 S2 -","- C76 H92 I8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0474","0.0383","","","0.0815","0.0854","","","","","","1.11","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157656","15.4193","0.0004","24.5788","0.0007","6.1039","0.0002","90","","90","","90","","2313.3","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H23 I2 N3 O4 S2 -","- C19 H23 I2 N3 O4 S2 -","- C76 H92 I8 N12 O16 S8 -","4","0.5","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0303","0.0253","","","0.0523","0.0543","","","","","","1.198","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157657","31.5358","0.001","31.5358","0.001","5.2684","0.0002","90","","90","","90","","5239.5","0.3","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C224 H256 O64 -","8","1","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.0977","0.0514","","","0.136","0.1715","","","","","","0.939","","","","has coordinates","256177","2020-10-21","18:00:00",""
"7157658","21.741","0.004","13.765","0.002","21.012","0.003","90","","90","","90","","6288.2","1.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C68 H62 N4 O13 -","- C68 H60 N4 O13 -","- C272 H240 N16 O52 -","4","0.25","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.0711","0.0635","","","0.1733","0.182","","","","","","1.103","","","","has coordinates,has disorder","256177","2020-10-21","18:00:00",""
"7157659","13.8872","0.0004","9.9072","0.0003","19.4383","0.0006","90","","90.026","0.002","90","","2674.38","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","- C128 H104 N8 O16 -","4","1","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.1077","0.0534","","","0.1333","0.1655","","","","","","1.016","","","","has coordinates","256177","2020-10-21","18:00:00",""
"7157660","7.0483","0.00016","9.642","0.0002","17.816","0.0004","90","","93.573","0.002","90","","1208.42","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","0.71073","MoKα","","0.0427","0.0377","","","0.0931","0.0966","","","","","","1.066","","","","has coordinates","256178","2020-10-21","18:00:00",""
"7157661","11.1412","0.0002","8.63104","0.00012","12.612","0.0002","90","","98.0678","0.0017","90","","1200.77","0.03","100","0.14","100","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","1.54184","CuKα","","0.0326","0.03","","","0.0752","0.0771","","","","","","1.041","","","","has coordinates","256178","2020-10-21","18:00:00",""
"7157662","23.1618","0.0008","6.1459","0.0002","20.0176","0.0006","90","","95.672","0.003","90","","2835.56","0.16","99.8","0.3","99.8","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 N O6 -","- C14 H17 N O6 -","- C112 H136 N8 O48 -","8","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","1.54184","CuKα","","0.0492","0.0414","","","0.1088","0.1174","","","","","","1.037","","","","has coordinates","256178","2020-10-21","18:00:00",""
"7157663","13.962","0.0003","8.28868","0.00013","17.5984","0.0003","90","","112.379","0.002","90","","1883.22","0.07","101","2","101","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C80 H100 N12 O12 -","4","1","","Greve, Eric; Lindeman, Sergey V.; Scartelli, Christina; Lin, Lin; Flaumenhaft, Robert; Dockendorff, Chris","Route exploration and synthesis of the reported pyridone-based PDI inhibitor STK076545.","Organic & biomolecular chemistry","2020","18","34","6665","6681","10.1039/d0ob01205j","","x-ray","1.54184","CuKα","","0.0524","0.0479","","","0.126","0.1307","","","","","","1.056","","","","has coordinates,has disorder","256178","2020-10-21","18:00:00",""
"7157664","6.7441","0.0002","9.9379","0.0003","12.0364","0.0005","69.995","0.003","75.972","0.003","81.277","0.002","733.33","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-heptyl-[1,2,4]triazolo[4,3-a]quinoline","","- C17 H21 N3 -","- C17 H21 N3 -","- C34 H42 N6 -","2","1","","Aksenov, Nicolai A.; Aksenov, Alexander V.; Kirilov, Nikita K.; Arutiunov, Nikolai A.; Aksenov, Dmitrii A.; Maslivetc, Vladimir; Zhao, Zhenze; Du, Liqin; Rubin, Michael; Kornienko, Alexander","Nitroalkanes as electrophiles: synthesis of triazole-fused heterocycles with neuroblastoma differentiation activity.","Organic & biomolecular chemistry","2020","18","34","6651","6664","10.1039/d0ob01007c","","x-ray","1.54184","CuKα","","0.0454","0.0402","","","0.1132","0.1192","","","","","","1.063","","","","has coordinates","256181","2020-10-21","18:00:00",""
"7157665","9.1934","0.0005","10.6902","0.0005","18.2767","0.0008","90","","100.449","0.005","90","","1766.43","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-methyl-[1,2,4]triazolo[4,3-a]quinoline","","- C11 H9 N3 -","- C11 H9 N3 -","- C88 H72 N24 -","8","2","","Aksenov, Nicolai A.; Aksenov, Alexander V.; Kirilov, Nikita K.; Arutiunov, Nikolai A.; Aksenov, Dmitrii A.; Maslivetc, Vladimir; Zhao, Zhenze; Du, Liqin; Rubin, Michael; Kornienko, Alexander","Nitroalkanes as electrophiles: synthesis of triazole-fused heterocycles with neuroblastoma differentiation activity.","Organic & biomolecular chemistry","2020","18","34","6651","6664","10.1039/d0ob01007c","","x-ray","1.54184","CuKα","","0.0462","0.0401","","","0.1074","0.1147","","","","","","1.031","","","","has coordinates","256181","2020-10-21","18:00:00",""
"7157666","35.445","0.007","36.434","0.007","45.806","0.009","90","","90","","90","","59154","2","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C134 H130 Cl6 F6 N18 O19 -","- C134 H130 Cl6 F6 N18 O19 -","- C2144 H2080 Cl96 F96 N288 O304 -","16","2","","Yang, Ling; Ma, Chunmiao; Kauffmann, Brice; Li, Dongyao; Gan, Quan","Absolute handedness control of oligoamide double helices by chiral oxazolylaniline induction.","Organic & biomolecular chemistry","2020","18","34","6643","6650","10.1039/d0ob01503b","","","0.72","MoKa","","0.1293","0.1057","","","0.2866","0.3176","","","","","","1.291","","","","has coordinates","256176","2020-10-21","18:00:00",""
"7157667","5.0392","0.0002","8.4897","0.0003","38.3953","0.0013","90","","90","","90","","1642.6","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H30 O S2 -","- C15 H30 O S2 -","- C60 H120 O4 S8 -","4","1","","Scheutz, Georg M.; Rowell, Jonathan L.; Wang, Fu-Sheng; Abboud, Khalil A.; Peng, Chi-How; Sumerlin, Brent S.","Synthesis of functional 1,2-dithiolanes from 1,3-bis-<i>tert</i>-butyl thioethers.","Organic & biomolecular chemistry","2020","18","33","6509","6513","10.1039/d0ob01577f","","","0.71073","MoKα","","0.0313","0.0278","","","0.0689","0.0712","","","","","","1.1","","","","has coordinates","256165","2020-10-21","18:00:00",""
"7157668","19.7501","0.0018","19.7501","0.0018","7.4965","0.0006","90","","90","","90","","2924.1","0.4","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C5 H9 O S2 -","- C5 H10 O S2 -","- C80 H160 O16 S32 -","16","1","","Scheutz, Georg M.; Rowell, Jonathan L.; Wang, Fu-Sheng; Abboud, Khalil A.; Peng, Chi-How; Sumerlin, Brent S.","Synthesis of functional 1,2-dithiolanes from 1,3-bis-<i>tert</i>-butyl thioethers.","Organic & biomolecular chemistry","2020","18","33","6509","6513","10.1039/d0ob01577f","","","0.71073","MoKα","","0.0609","0.0403","","","0.0934","0.1126","","","","","","1.134","","","","has coordinates","256165","2020-10-21","18:00:00",""
"7157669","5.866","0.0005","8.1481","0.0008","18.3926","0.0018","90","","90","","90","","879.11","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N6 -","- C20 H18 N6 -","- C40 H36 N12 -","2","0.5","","Rahman, Iftakur; Deka, Bhaskar; Thakuria, Ranjit; Deb, Mohit L.; Baruah, Pranjal K.","L-Proline-catalyzed regioselective C1 arylation of tetrahydroisoquinolines through a multicomponent reaction under solvent-free conditions.","Organic & biomolecular chemistry","2020","18","33","6514","6518","10.1039/d0ob01363c","","","0.71073","MoKα","","0.1026","0.0588","","","0.1246","0.1628","","","","","","0.973","","","","has coordinates","256166","2020-10-21","18:00:00",""
"7157670","13.786","0.005","13.94","0.005","12.043","0.005","90","","95.844","0.005","90","","2302.4","1.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N4 -","- C27 H28 N4 -","- C108 H112 N16 -","4","1","","Rahman, Iftakur; Deka, Bhaskar; Thakuria, Ranjit; Deb, Mohit L.; Baruah, Pranjal K.","L-Proline-catalyzed regioselective C1 arylation of tetrahydroisoquinolines through a multicomponent reaction under solvent-free conditions.","Organic & biomolecular chemistry","2020","18","33","6514","6518","10.1039/d0ob01363c","","","0.71073","MoKα","","0.1539","0.0611","","","0.14","0.1788","","","","","","1.009","","","","has coordinates","256166","2020-10-21","18:00:00",""
"7157671","10.0331","0.0001","11.8988","0.0001","13.4124","0.0002","108","0.001","99.413","0.001","106.679","0.001","1401.73","0.03","294.15","","294.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N5 O12 -","- C26 H25 N5 O12 -","- C52 H50 N10 O24 -","2","1","","Luo, Yan-Long; Liu, Yu-Feng; Guan, Bing-Tao","Alkyl lithium-catalyzed benzylic C-H bond addition of alkyl pyridines to α-alkenes.","Organic & biomolecular chemistry","2020","18","34","6622","6626","10.1039/d0ob01499k","","x-ray","1.54184","CuKα","","0.0605","0.0572","","","0.178","0.1816","","","","","","1.093","","","","has coordinates","256182","2020-10-21","18:00:00",""
"7157672","9.5464","0.0003","11.3522","0.0003","16.3209","0.0005","79.8713","0.0009","82.8439","0.001","76.7777","0.001","1688.44","0.09","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 Br Cl3 N2 O3 S -","- C35 H32 Br Cl3 N2 O3 S -","- C70 H64 Br2 Cl6 N4 O6 S2 -","2","1","","Rapelli, Chandrashekhar; Sridhar, Balasubramanian; Subba Reddy, B. V.","Tandem Prins cyclization for the synthesis of indole fused spiro-1,4-diazocane scaffolds.","Organic & biomolecular chemistry","2020","18","34","6710","6715","10.1039/d0ob01384f","","","0.71073","MoKα","","0.1317","0.0939","","","0.2284","0.2488","","","","","","1.086","","","","has coordinates","256179","2020-10-21","18:00:00",""
"7157673","11.05","0.0004","14.7669","0.0006","11.3282","0.0004","90","","109.477","0.002","90","","1742.69","0.12","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O S -","- C20 H16 N2 O S -","- C80 H64 N8 O4 S4 -","4","1","","Song, Xiaoxiao; Xu, Lei; Ni, Qijian","Highly diastereoselective synthesis of 3-methylenetetrahydropyrans by palladium-catalyzed oxa-[4 + 2] cycloaddition of 2-alkenylbenzothiazoles.","Organic & biomolecular chemistry","2020","18","34","6617","6621","10.1039/d0ob01434f","","","0.71073","MoKα","","0.0526","0.0428","","","0.105","0.1165","","","","","","1.018","","","","has coordinates","256180","2020-10-21","18:00:00",""
"7157674","10.805","0.002","28.766","0.004","9.1158","0.0016","90","","98.138","0.006","90","","2804.8","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Br N O4 -","- C31 H34 Br N O4 -","- C124 H136 Br4 N4 O16 -","4","1","","Wang, Ziyang; Huang, Anqi; Fang, Fang; Li, Pengfei; Liu, Guokai; Li, Wenjun","Non-hydrogen bond catalyst-mediated diastereoselective conjugate additions of 5H-oxazol-4-ones to o-hydroxyphenyl-substituted p-quinone methides.","Organic & biomolecular chemistry","2020","18","35","6807","6811","10.1039/d0ob01558j","","x-ray","0.71073","MoKα","","0.0399","0.0333","","","0.0734","0.0758","","","","","","1.047","","","","has coordinates","258976","2020-11-06","13:14:13",""
"7157675","7.2273","0.0003","12.6042","0.0005","29.1348","0.0012","90","","90","","90","","2654.02","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 N O4 -","- C34 H25 N O4 -","- C136 H100 N4 O16 -","4","1","","Mu, Yuanyang; Yuan, Yang; Wang, Ye; Xu, Murong; Feng, Ye; Zhao, Yulei; Li, Yanzhong","Synthesis of indoline-fused eight-membered azaheterocycles through Zn-catalyzed dearomatization of indoles and subsequent base-promoted C-C activation.","Organic & biomolecular chemistry","2020","18","35","6916","6926","10.1039/d0ob01626h","","","0.71073","MoKα","","0.0514","0.0372","","","0.0837","0.0931","","","","","","1.012","","","","has coordinates","258977","2020-11-06","13:14:22",""
"7157676","11.571","0.003","17.156","0.005","13.431","0.004","90","","91.359","0.009","90","","2665.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Br N O4 -","- C34 H24 Br N O4 -","- C136 H96 Br4 N4 O16 -","4","1","","Mu, Yuanyang; Yuan, Yang; Wang, Ye; Xu, Murong; Feng, Ye; Zhao, Yulei; Li, Yanzhong","Synthesis of indoline-fused eight-membered azaheterocycles through Zn-catalyzed dearomatization of indoles and subsequent base-promoted C-C activation.","Organic & biomolecular chemistry","2020","18","35","6916","6926","10.1039/d0ob01626h","","","0.71073","MoKα","","0.181","0.1027","","","0.2623","0.3215","","","","","","1.032","","","","has coordinates","258977","2020-11-06","13:14:22",""
"7157677","9.7202","0.0014","11.6843","0.0016","24.726","0.004","90","","93.705","0.003","90","","2802.4","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Br N8 O5 S -","- C27 H27 Br N8 O5 S -","- C108 H108 Br4 N32 O20 S4 -","4","1","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0679","0.0482","","","0.1235","0.1344","","","","","","1.026","","","","has coordinates","258973","2020-11-06","13:13:32",""
"7157678","13.4741","0.0004","13.4934","0.0004","15.7758","0.0005","84.2195","0.0007","85.3686","0.0007","76.9008","0.0007","2774.41","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H31 F N7 O4 S -","- C27.5 H31 F N7 O4 S -","- C110 H124 F4 N28 O16 S4 -","4","2","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0581","0.0423","","","0.1031","0.1124","","","","","","1.018","","","","has coordinates","258973","2020-11-06","13:13:32",""
"7157679","9.7574","0.0004","16.3229","0.0007","33.1283","0.0014","90","","90","","90","","5276.3","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 N7 O3 S -","- C25 H25 N7 O3 S -","- C200 H200 N56 O24 S8 -","8","1","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0723","0.0693","","","0.1978","0.2006","","","","","","1.054","","","","has coordinates,has disorder","258973","2020-11-06","13:13:32",""
"7157680","17.9516","0.0012","16.7643","0.0011","19.6754","0.0013","90","","112.959","0.001","90","","5452.2","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 F N7 O5 S -","- C26 H28 F N7 O4 S -","- C208 H224 F8 N56 O32 S8 -","8","2","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0709","0.0504","","","0.1227","0.1372","","","","","","1.026","","","","has coordinates,has disorder","258973","2020-11-06","13:13:32",""
"7157681","9.6969","0.0006","11.4348","0.0006","24.2698","0.0015","85.022","0.002","85.218","0.002","82.945","0.002","2653.4","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C126 H126 N6 O18 -","6","3","","Schendera, Eva; Villinger, Alexander; Brasholz, Malte","Photoinduced iodine-mediated tandem dehydrogenative Povarov cyclisation/C-H oxygenation reactions.","Organic & biomolecular chemistry","2020","18","35","6912","6915","10.1039/d0ob01494j","","","0.71073","MoKα","","0.0938","0.0533","","","0.1193","0.142","","","","","","1.022","","","","has coordinates,has disorder","258975","2020-11-06","13:13:52",""
"7157682","4.7625","0.0002","13.0451","0.0008","13.8262","0.001","90","","95.126","0.005","90","","855.55","0.09","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C30 H36 N8 O14 -","2","1","","Nathanael, Joses G.; White, Jonathan M.; Richter, Annika; Nuske, Madison R.; Wille, Uta","Oxidative damage of proline residues by nitrate radicals (NO<sub>3</sub>˙): a kinetic and product study.","Organic & biomolecular chemistry","2020","18","35","6949","6957","10.1039/d0ob01337d","","x-ray","1.54184","CuKα","","0.0555","0.0447","","","0.1079","0.1183","","","","","","1.07","","","","has coordinates","258974","2020-11-06","13:13:41",""
"7157683","8.6636","0.0009","8.9777","0.0011","13.8142","0.0016","83.784","0.004","78.625","0.003","68.828","0.003","981.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl F3 N -","- C23 H17 Cl F3 N -","- C46 H34 Cl2 F6 N2 -","2","1","","Li, Peng-Hua; Wei, Yin; Shi, Min","Cu(I)-Catalyzed addition-cycloisomerization difunctionalization reaction of 1,3-enyne-alkylidenecyclopropanes (ACPs).","Organic & biomolecular chemistry","2020","18","36","7127","7138","10.1039/d0ob01692f","","","0.71073","MoKα","","0.0645","0.0484","","","0.1324","0.1473","","","","","","1.023","","","","has coordinates","258970","2020-11-06","13:12:44",""
"7157684","8.754","0.0003","13.9202","0.0005","20.4884","0.0007","70.805","0.001","84.483","0.001","81.586","0.001","2329.4","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 F3 N -","- C27 H26 F3 N -","- C108 H104 F12 N4 -","4","2","","Li, Peng-Hua; Wei, Yin; Shi, Min","Cu(I)-Catalyzed addition-cycloisomerization difunctionalization reaction of 1,3-enyne-alkylidenecyclopropanes (ACPs).","Organic & biomolecular chemistry","2020","18","36","7127","7138","10.1039/d0ob01692f","","","0.71073","MoKα","","0.1853","0.1232","","","0.3304","0.3905","","","","","","1.284","","","","has coordinates,has disorder","258970","2020-11-06","13:12:44",""
"7157685","18.4957","0.0013","7.8032","0.0005","25.76","0.002","90","","92.571","0.007","90","","3714.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-benzyl-3-(p-tolyl)-[1,2,3]triazolo[1,5-a]quinoline","","- C24 H19 N3 -","- C24 H19 N3 -","- C192 H152 N24 -","8","2","","Yang, Jianhua; Xiong, Shaoqi; Ren, Yongsheng; Xiao, Tiebo; Jiang, Yubo","Copper-catalyzed cross-coupling and sequential allene-mediated cyclization for the synthesis of 1,2,3-triazolo[1,5-<i>a</i>]quinolines.","Organic & biomolecular chemistry","2020","18","36","7174","7182","10.1039/d0ob00435a","","x-ray","0.71073","MoKα","","0.1387","0.0668","","","0.1368","0.1772","","","","","","1.006","","","","has coordinates","258971","2020-11-06","13:12:52",""
"7157686","18.7943","0.0014","11.2236","0.0008","9.8308","0.0008","90","","95.655","0.002","90","","2063.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F3 N O2 -","- C22 H24 F3 N O2 -","- C88 H96 F12 N4 O8 -","4","1","","Ma, Rui-Jun; Sun, Jian-Ting; Liu, Chang-Hong; Chen, Ling; Si, Chang-Mei; Wei, Bang-Guo","Synthesis of 1-benzylisoindoline and 1-benzyl-tetrahydroisoquinoline through nucleophilic addition of organozinc reagents to <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2020","18","36","7139","7150","10.1039/d0ob01477j","","","0.71073","MoKα","","0.067","0.0469","","","0.1159","0.1317","","","","","","1.031","","","","has coordinates,has disorder","258967","2020-11-06","13:11:59",""
"7157687","14.3884","0.0013","26.944","0.003","6.9828","0.0006","90","","90","","90","","2707.1","0.5","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Borgohain, Hemi; Talukdar, Kangkan; Sarma, Bipul; Das, Sajal Kumar","Regioselectivity of the trifluoroethanol-promoted intramolecular <i>N</i>-Boc-epoxide cyclization towards 1,3-oxazolidin-2-ones and 1,3-oxazinan-2-ones.","Organic & biomolecular chemistry","2020","18","37","7401","7413","10.1039/d0ob01698e","","","0.71073","MoKα","","0.1318","0.062","","","0.1681","0.2411","","","","","","0.767","","","","has coordinates","258947","2020-11-06","13:07:18",""
"7157688","7.313","0.001","9.4042","0.0012","9.8866","0.0013","97.32","0.007","95.213","0.007","94.533","0.007","668.77","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Borgohain, Hemi; Talukdar, Kangkan; Sarma, Bipul; Das, Sajal Kumar","Regioselectivity of the trifluoroethanol-promoted intramolecular <i>N</i>-Boc-epoxide cyclization towards 1,3-oxazolidin-2-ones and 1,3-oxazinan-2-ones.","Organic & biomolecular chemistry","2020","18","37","7401","7413","10.1039/d0ob01698e","","","0.71073","MoKα","","0.0639","0.0451","","","0.1199","0.1413","","","","","","0.78","","","","has coordinates","258947","2020-11-06","13:07:18",""
"7157689","14.6384","0.0003","6.909","0.0001","30.7229","0.0007","90","","90","","90","","3107.21","0.11","100","0.2","100","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","1.54178","CuKα","","0.0433","0.0375","","","0.0963","0.0997","","","","","","1.119","","","","has coordinates","258972","2020-11-06","13:13:09",""
"7157690","10.3439","0.0004","6.8286","0.0002","20.1913","0.0007","90","","97.86","0.001","90","","1412.8","0.08","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F N2 -","- C20 H12 F N2 -","- C80 H48 F4 N8 -","4","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0481","0.0413","","","0.109","0.114","","","","","","1.056","","","","has coordinates,has disorder","258972","2020-11-06","13:13:10",""
"7157691","6.0455","0.0005","11.0023","0.001","11.7294","0.001","112.103","0.004","96.044","0.004","93.256","0.004","714.87","0.11","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 F N2 -","- C20 H13 F N2 -","- C40 H26 F2 N4 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0783","0.0472","","","0.1189","0.1408","","","","","","1.052","","","","has coordinates","258972","2020-11-06","13:13:10",""
"7157692","7.8602","0.0002","8.983","0.0002","11.3189","0.0003","94.775","0.001","108.443","0.001","100.754","0.001","736.11","0.03","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 F2 N2 -","- C20 H12 F2 N2 -","- C40 H24 F4 N4 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0391","0.0346","","","0.0839","0.0874","","","","","","1.057","","","","has coordinates","258972","2020-11-06","13:13:10",""
"7157693","5.9542","0.0002","10.6468","0.0004","13.6281","0.0005","83.162","0.002","86.529","0.002","76.857","0.001","834.81","0.05","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0552","0.0494","","","0.1179","0.1237","","","","","","1.064","","","","has coordinates","258972","2020-11-06","13:13:10",""
"7157694","14.2321","0.0007","13.7476","0.0006","19.4973","0.0009","90","","90","","90","","3814.8","0.3","100","0.2","100","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0608","0.0389","","","0.0879","0.1031","","","","","","1.076","","","","has coordinates","258972","2020-11-06","13:13:10",""
"7157695","13.9563","0.0002","10.5922","0.0002","15.5819","0.0002","90","","90","","90","","2303.44","0.06","173","0.1","173","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-dimethyl-4-phenyl-1,2,3-triazolium iodide","","- C10 H12 I N3 -","- C10 H12 I N3 -","- C80 H96 I8 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","0.71073","MoKα","","0.0537","0.0308","","","0.0707","0.0848","","","","","","1.068","","","","has coordinates","258948","2020-11-06","13:07:29",""
"7157696","14.4577","0.0001","10.5526","0.0001","15.7197","0.0001","90","","90","","90","","2398.3","0.03","173.01","0.1","173.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-dimethyl-4-phenyl-1,2,3-triazolium tetrafluoroborate","","- C10 H12 B F4 N3 -","- C10 H12 B F4 N3 -","- C80 H96 B8 F32 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","1.54184","CuKα","","0.0477","0.0434","","","0.1276","0.1343","","","","","","1.083","","","","has coordinates,has disorder","258948","2020-11-06","13:07:30",""
"7157697","20.4846","0.0008","9.4451","0.0003","15.8942","0.0007","90","","99.242","0.004","90","","3035.3","0.2","173","0.1","173","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-dimethyl-4-phenyl-1,2,3-triazolium triiodide","","- C10 H12 I3 N3 -","- C10 H12 I3 N3 -","- C80 H96 I24 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","1.54184","CuKα","","0.0713","0.0652","","","0.191","0.1977","","","","","","1.102","","","","has coordinates","258948","2020-11-06","13:07:30",""
"7157698","12.1573","0.0013","12.3663","0.0013","15.5243","0.0014","90","","107.422","0.003","90","","2226.9","0.4","192","2","192","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 Cl -","- C31 H23 Cl -","- C124 H92 Cl4 -","4","1","","Wei, Hao-Zhao; Li, Quan-Zhe; Wei, Yin; Shi, Min","Rapid construction of cyclopenta[<i>b</i>]naphthalene frameworks from propargylic alcohol tethered methylenecyclopropanes.","Organic & biomolecular chemistry","2020","18","37","7396","7400","10.1039/d0ob01732a","","","0.71073","MoKα","","0.0414","0.035","","","0.0828","0.0874","","","","","","1.014","","","","has coordinates","258949","2020-11-06","13:07:39",""
"7157699","20.7442","0.0006","12.396","0.0003","7.5295","0.0002","90","","90","","90","","1936.17","0.09","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H21 Cl -","- C26 H21 Cl -","- C104 H84 Cl4 -","4","1","","Wei, Hao-Zhao; Li, Quan-Zhe; Wei, Yin; Shi, Min","Rapid construction of cyclopenta[<i>b</i>]naphthalene frameworks from propargylic alcohol tethered methylenecyclopropanes.","Organic & biomolecular chemistry","2020","18","37","7396","7400","10.1039/d0ob01732a","","","0.71073","MoKα","","0.0384","0.0318","","","0.0795","0.0852","","","","","","1.038","","","","has coordinates","258949","2020-11-06","13:07:40",""
"7157700","8.692","0.001","10.4626","0.0012","12.9164","0.0015","106.067","0.002","98.907","0.002","110.261","0.002","1017.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C1.9 H1.9 Cl0.1 F0.3 N0.1 O0.2 S0.1 -","- C1.9 H1.9 Cl0.1 F0.3 N0.1 O0.2 S0.1 -","- C38 H38 Cl2 F6 N2 O4 S2 -","20","10","","Wang, Xiaonan; Gao, Yuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Enantioselective addition of thiols to trifluoromethyl ketimines: synthesis of <i>N</i>,<i>S</i>-ketals.","Organic & biomolecular chemistry","2020","18","37","7431","7436","10.1039/d0ob01725f","","","0.71073","MoKα","","0.0744","0.0556","","","0.1462","0.1635","","","","","","1.028","","","","has coordinates","258945","2020-11-06","13:07:02",""
"7157701","34.292","0.005","8.1908","0.0013","16.147","0.003","90","","111.061","0.005","90","","4232.4","1.2","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","(3R,3'S,4'R,4a'S,9a'R)-1-(tert-Butyl) 3'-ethyl 3''-benzyl-2,4'',9'-trioxo-2''-thioxo-4a',9a'- dihydro-1'H,3'H,9'H-dispiro[indoline-3,2'-xanthene-4',5''-thiazolidine]-1,3'-dicarboxylate","","- C37 H34 N2 O8 S2 -","- C37 H34 N2 O8 S2 -","- C148 H136 N8 O32 S8 -","4","1","","Song, Yong-Xing; Lin, Ye; Yan, Li; Du, Da-Ming","An organocatalytic domino Michael addition strategy: construction of bispiro[oxindole-thiazolidinone-hexahydroxanthone]s with five contiguous stereocenters.","Organic & biomolecular chemistry","2020","18","37","7373","7378","10.1039/d0ob01613f","","","0.71073","MoKα","","0.0404","0.0331","","","0.0846","0.0881","","","","","","1.058","","","","has coordinates,has disorder","258946","2020-11-06","13:07:10",""
"7157702","14.4086","0.0001","13.7833","0.0001","14.4694","0.0001","90","","110.157","0.001","90","","2697.59","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","PF1022A","","- C53 H80 N4 O13 -","- C53 H80 N4 O13 -","- C106 H160 N8 O26 -","2","1","","Stadelmann, Thomas; Subramanian, Govindan; Menon, Sanjay; Townsend, Chad E.; Lokey, R. Scott; Ebert, Marc-Olivier; Riniker, Sereina","Connecting the conformational behavior of cyclic octadepsipeptides with their ionophoric property and membrane permeability.","Organic & biomolecular chemistry","2020","18","36","7110","7126","10.1039/d0ob01447h","","x-ray","1.54184","CuKα","","0.0287","0.028","","","0.0695","0.0699","","","","","","1.073","","","","has coordinates,has disorder","258966","2020-11-06","13:11:49",""
"7157703","14.9008","0.0001","15.8307","0.0001","16.8469","0.0001","111.244","0.001","101.429","0.001","100.095","0.001","3495.22","0.06","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","bis(PF1022A)-tris(Potassium thiocianate)","","- C118 H198 K3 N11 O36 S3 -","- C118 H198 K3 N11 O36 S3 -","- C118 H198 K3 N11 O36 S3 -","1","1","","Stadelmann, Thomas; Subramanian, Govindan; Menon, Sanjay; Townsend, Chad E.; Lokey, R. Scott; Ebert, Marc-Olivier; Riniker, Sereina","Connecting the conformational behavior of cyclic octadepsipeptides with their ionophoric property and membrane permeability.","Organic & biomolecular chemistry","2020","18","36","7110","7126","10.1039/d0ob01447h","","x-ray","1.54184","CuKα","","0.0533","0.0502","","","0.1423","0.1453","","","","","","1.035","","","","has coordinates,has disorder","258966","2020-11-06","13:11:49",""
"7157704","8.3648","0.0003","24.4988","0.0011","8.6463","0.0004","90","","106.405","0.002","90","","1699.73","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Qiao, Shanshan; Qian, Peng-Cheng; Chen, Fan; Cheng, Jiang","Iron-catalyzed radical cascade 6-<i>endo</i> cyclization of dienes towards fused nitrogen heterocycles initiated by an alkoxycarbonyl radical.","Organic & biomolecular chemistry","2020","18","36","7086","7089","10.1039/d0ob01438a","","","0.71073","MoKα","","0.0564","0.0431","","","0.1099","0.1218","","","","","","1.032","","","","has coordinates","258968","2020-11-06","13:12:06",""
"7157705","7.6399","0.0013","11.119","0.002","15.958","0.003","70.281","0.006","78.966","0.005","74.305","0.005","1221","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O8 S -","- C27 H20 N2 O8 S -","- C54 H40 N4 O16 S2 -","2","1","","Sathi, Vidya; Thomas, Noble V.; Deepthi, Ani","Stereoselective synthesis of dispiro heterocycles by [3 + 2] cycloaddition of azomethine ylides with a thiazolo[3,2-<i>a</i>]indole derivative.","Organic & biomolecular chemistry","2020","18","39","7822","7826","10.1039/d0ob01559h","","","0.71073","MoKα","","0.0653","0.0416","","","0.0945","0.1107","","","","","","1.009","","","","has coordinates","258956","2020-11-06","13:09:10",""
"7157706","13.215","0.003","11.927","0.002","15.344","0.003","90","","101.15","0.03","90","","2372.8","0.9","150","2","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 F N2 O2 S Se -","- C28 H21 F N2 O2 S Se -","- C112 H84 F4 N8 O8 S4 Se4 -","4","1","","Yao, Hai-Feng; Wang, Dian-Liang; Li, Fang-Hui; Wu, Bing; Cai, Zhong-Jian; Ji, Shun-Jun","Synthesis of organoselenyl isoquinolinium imides <i>via</i> iron(III) chloride-mediated tandem cyclization/selenation of <i>N</i>'-(2-alkynylbenzylidene)hydrazides and diselenides.","Organic & biomolecular chemistry","2020","18","38","7577","7584","10.1039/d0ob01517b","","","0.71073","MoKα","","0.0416","0.0382","","","0.0932","0.0955","","","","","","1.015","","","","has coordinates,has disorder","258980","2020-11-06","13:14:52",""
"7157707","22.757","0.01","4.748","0.002","23.677","0.01","90","","104.854","0.016","90","","2472.8","1.8","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Cl N2 O -","- C16 H9 Cl N2 O -","- C128 H72 Cl8 N16 O8 -","8","2","","Chen, Junrong; Li, Zhenmin; Suleman, Muhammad; Wang, Zaibin; Lu, Ping; Wang, Yanguang","TfOH-promoted synthesis of 4,5-dihydrooxazolo[5,4-<i>c</i>]isoquinolines <i>via</i> formal [3 + 2] cycloaddition of 4-diazoisoquinolin-3-one and benzonitriles.","Organic & biomolecular chemistry","2020","18","38","7671","7676","10.1039/d0ob01748e","","","0.71073","MoKα","","0.0573","0.0439","","","0.1024","0.1108","","","","","","1.035","","","","has coordinates","258979","2020-11-06","13:14:40",""
"7157708","7.7469","0.0008","17.4348","0.0019","14.3624","0.0016","90","","92.609","0.002","90","","1937.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C92 H80 N8 O4 S4 -","4","1","","Zhang, Xuxue; Liu, Chuan; Deng, Yupian; Cao, Song","Chemo- and regioselective synthesis of polysubstituted 2-aminothiophenes by the cyclization of <i>gem</i>-dibromo or <i>gem</i>-dichloroalkenes with β-keto tertiary thioamides.","Organic & biomolecular chemistry","2020","18","38","7540","7544","10.1039/d0ob01821j","","","0.71073","MoKα","","0.0731","0.054","","","0.1297","0.1401","","","","","","1.044","","","","has coordinates","258978","2020-11-06","13:14:33",""
"7157709","5.6871","0.0003","8.6686","0.0004","18.3693","0.0007","81.037","0.004","88.297","0.004","87.959","0.004","893.7","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 F3 N O3 S -","- C18 H18 F3 N O3 S -","- C36 H36 F6 N2 O6 S2 -","2","1","","Bonciolini, Stefano; Di Filippo, Mara; Baumann, Marcus","A scalable continuous photochemical process for the generation of aminopropylsulfones.","Organic & biomolecular chemistry","2020","18","46","9428","9432","10.1039/d0ob01801e","","","1.54184","CuKα","","0.0551","0.0489","","","0.125","0.1314","","","","","","1.044","","","","has coordinates,has disorder","260811","2021-01-07","07:05:46",""
"7157710","9.4888","0.0005","7.2783","0.0003","12.988","0.0007","90","","97.094","0.005","90","","890.12","0.08","200","2","200","2","","","","","","","twigs of Aleurites moluccanus","3","P 1 21 1","P 2yb","4","","Aleuritin","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.0646","0.0504","","","0.1141","0.1229","","","","","","1.044","","","","has coordinates","258958","2020-11-06","13:09:25",""
"7157711","7.0307","0.001","8.666","0.001","25.171","0.005","90","","90","","90","","1533.6","0.4","150","2","150","2","","","","","","","Aleurites moluccanus","3","P 21 21 21","P 2ac 2ab","19","","rel-(5β,8α,10α)-8-hydroxy-13-methylpodocarpa-9(11),13-diene-3,12-dione","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.1349","0.0728","","","0.1698","0.2208","","","","","","1.079","","","","has coordinates","258958","2020-11-06","13:09:25",""
"7157712","7.526","0.0004","13.1519","0.0007","17.4059","0.0016","90","","90","","90","","1722.9","0.2","200","2","200","2","","","","","","","twigs of Aleurites moluccanus","3","P 21 21 21","P 2ac 2ab","19","","aleuritone","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.076","0.0584","","","0.1406","0.1535","","","","","","0.958","","","","has coordinates","258958","2020-11-06","13:09:25",""
"7157713","7.6762","0.0001","12.3159","0.0002","17.1409","0.0003","90","","90","","90","","1620.49","0.04","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","isoindoloquinazolinone","ethyl 12-hydroxy-4-methyl-10-oxo-10,12-dihydroisoindolo[1,2-b]quinazoline-12-carboxylate","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Choi, Jin Ho; Kim, Kunyoung; Oh, Harin; Han, Sangil; Mishra, Neeraj Kumar; Kim, In Su","Ru(ii)-Catalyzed C-H addition and oxidative cyclization of 2-aryl quinazolinones with activated aldehydes.","Organic & biomolecular chemistry","2020","18","47","9611","9622","10.1039/d0ob01663b","","","0.71073","MoKα","","0.0694","0.0549","","","0.1498","0.1613","","","","","","1.004","","","","has coordinates","260818","2021-01-07","07:07:26",""
"7157714","12.3228","0.0014","13.5824","0.0012","19.942","0.002","90","","104.136","0.003","90","","3236.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 N2 O3 S -","- C37 H38 N2 O3 S -","- C148 H152 N8 O12 S4 -","4","1","","Kumaran, Subramani; Prabhakaran, Mohan; Mariyammal, Narayanan; Parthasarathy, Kanniyappan","Catalyst-free 1,6-conjugate addition of indoles and 4-hydroxycoumarins to <i>para</i>-quinone methides: synthesis of unsymmetrical triarylmethanes.","Organic & biomolecular chemistry","2020","18","39","7837","7841","10.1039/d0ob01789b","","","0.71073","MoKα","","0.1282","0.0516","","","0.0994","0.1294","","","","","","1.016","","","","has coordinates","258959","2020-11-06","13:09:35",""
"7157715","18.4913","0.0006","4.7672","0.0001","19.316","0.0007","90","","94.258","0.002","90","","1698.04","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br2 N5 O2 -","- C16 H15 Br2 N5 O2 -","- C64 H60 Br8 N20 O8 -","4","1","","Galve, Iñaki; Ondoño, Raül; de Rocafiguera, Claudi; Puig de la Bellacasa, Raimon; Batllori, Xavier; Puigjaner, Cristina; Font-Bardia, Mercè; Vallcorba, Oriol; Teixidó, Jordi; Borrell, José I","A captured room temperature stable Wheland intermediate as a key structure for the orthogonal decoration of 4-amino-pyrido[2,3-<i>d</i>]pyrimidin-7(8<i>H</i>)-ones.","Organic & biomolecular chemistry","2020","18","48","9810","9815","10.1039/d0ob01785j","","","0.71073","MoKα","","0.0679","0.0561","","","0.155","0.1626","","","","","","1.074","","","","has coordinates","260823","2021-01-07","07:07:58",""
"7157716","11.2245","0.0005","13.0227","0.0005","13.7251","0.0005","92.741","0.003","106.371","0.003","107.992","0.003","1810.67","0.14","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 B2 F9 N3 O2 -","- C32 H26 B2 F9 N3 O2 -","- C64 H52 B4 F18 N6 O4 -","2","1","","Moneva Lorente, Pau; Wallabregue, Antoine; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Lacour, Jérôme","Synthesis and properties of chiral fluorescent helicene-BODIPY conjugates.","Organic & biomolecular chemistry","2020","18","38","7677","7684","10.1039/d0ob01809k","","x-ray","1.54184","CuKα","","0.0602","0.0516","","","0.1506","0.1593","","","","","","1.045","","","","has coordinates,has disorder","258981","2020-11-06","13:14:58",""
"7157717","3.9404","0.0001","16.0925","0.0003","9.1575","0.0002","90","","90.254","0.001","90","","580.68","0.02","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C30 H22 N2 O4 -","2","1","","Bian, Zi-Long; Lv, Xin-Xin; Li, Ya-Lan; Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Acid-promoted synthesis and photophysical properties of substituted acridine derivatives.","Organic & biomolecular chemistry","2020","18","40","8141","8146","10.1039/d0ob01824d","","","1.54178","","","0.0298","0.0292","","","0.081","0.0817","","","","","","1.07","","","","has coordinates","258963","2020-11-06","13:10:43",""
"7157718","18.7602","0.0014","9.1601","0.0006","16.7999","0.0012","90","","90","","90","","2887","0.4","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C152 H104 N8 O16 -","8","2","","Bian, Zi-Long; Lv, Xin-Xin; Li, Ya-Lan; Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Acid-promoted synthesis and photophysical properties of substituted acridine derivatives.","Organic & biomolecular chemistry","2020","18","40","8141","8146","10.1039/d0ob01824d","","","1.54178","CuKα","","0.0507","0.0454","","","0.1219","0.1266","","","","","","1.01","","","","has coordinates","258963","2020-11-06","13:10:43",""
"7157719","15.014","0.002","10.0228","0.0011","21.573","0.005","90","","90","","90","","3246.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N O -","- C10.2857 H10.2857 N1.14286 O1.71429 -","- C144 H144 N16 O24 -","14","1.75","","Luo, Yan; Chen, Chun-Hua; Zhu, Fan; Mo, Dong-Liang","Synthesis of α-aminooxy amides through [3 + 3] cycloaddition and Sc(OTf)<sub>3</sub>-catalyzed double C-N bond cleavage in a one-pot reaction.","Organic & biomolecular chemistry","2020","18","40","8209","8218","10.1039/d0ob01788d","","x-ray","0.71073","MoKα","","0.2084","0.0871","","","0.2286","0.3103","","","","","","1.018","","","","has coordinates","258965","2020-11-06","13:11:13",""
"7157720","11.2384","0.0006","10.343","0.0005","13.5036","0.0008","90","","107.74","0.006","90","","1495","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Luo, Yan; Chen, Chun-Hua; Zhu, Fan; Mo, Dong-Liang","Synthesis of α-aminooxy amides through [3 + 3] cycloaddition and Sc(OTf)<sub>3</sub>-catalyzed double C-N bond cleavage in a one-pot reaction.","Organic & biomolecular chemistry","2020","18","40","8209","8218","10.1039/d0ob01788d","","","0.71073","MoKα","","0.0851","0.0593","","","0.1497","0.1658","","","","","","1.055","","","","has coordinates","258965","2020-11-06","13:11:13",""
"7157721","10.114","0.0005","10.3178","0.0005","10.5034","0.0005","90","","102.09","0.002","90","","1071.76","0.09","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Gangadurai, Chinnakuzhanthai; Illa, Giri Teja; Reddy, D. Srinivasa","FeCl<sub>3</sub>-catalyzed oxidative decarboxylation of aryl/heteroaryl acetic acids: preparation of selected API impurities.","Organic & biomolecular chemistry","2020","18","41","8459","8466","10.1039/d0ob01790f","","","0.71073","MoKα","","0.0327","0.0309","","","0.0753","0.0765","","","","","","1.013","","","","has coordinates","258951","2020-11-06","13:07:57",""
"7157722","5.8087","0.0003","11.2608","0.0007","47.001","0.002","93.058","0.005","90.358","0.004","92.48","0.005","3067","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H34 I N O2 -","- C37 H33.755 I N O2 -","- C148 H135.02 I4 N4 O8 -","4","2","","Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun","Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.","Organic & biomolecular chemistry","2020","18","40","8089","8093","10.1039/d0ob01604g","","x-ray","1.54184","CuKα","","0.1386","0.0949","","","0.2192","0.2505","","","","","","1.086","","","","has coordinates,has disorder","258964","2020-11-06","13:11:00",""
"7157723","8.2053","0.0005","9.9516","0.0006","14.8729","0.0013","79.118","0.006","88.843","0.006","68.605","0.006","1108.86","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H40 N2 O -","- C23 H40 N2 O -","- C46 H80 N4 O2 -","2","1","","Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun","Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.","Organic & biomolecular chemistry","2020","18","40","8089","8093","10.1039/d0ob01604g","","x-ray","0.71073","MoKα","","0.0654","0.0497","","","0.107","0.1161","","","","","","1.049","","","","has coordinates","258964","2020-11-06","13:11:00",""
"7157724","5.8348","0.0003","14.7954","0.0009","21.5626","0.0013","90","","92.427","0.005","90","","1859.79","0.19","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 F2 N -","- C27 H15 F2 N -","- C108 H60 F8 N4 -","4","1","","Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun","Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.","Organic & biomolecular chemistry","2020","18","40","8089","8093","10.1039/d0ob01604g","","x-ray","0.71073","MoKα","","0.0498","0.0389","","","0.0847","0.0907","","","","","","1.05","","","","has coordinates","258964","2020-11-06","13:11:01",""
"7157725","8.6569","0.0013","11.7473","0.0017","16.347","0.002","98.164","0.011","91.884","0.011","90.183","0.012","1644.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 F N O3 -","- C17 H22 F N O3 -","- C68 H88 F4 N4 O12 -","4","2","","Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo","Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.","Organic & biomolecular chemistry","2020","18","40","8192","8198","10.1039/d0ob01811b","","","0.71073","MoKα","","0.1611","0.103","","","0.2644","0.3163","","","","","","1.052","","","","has coordinates","258962","2020-11-06","13:10:35",""
"7157726","9.0751","0.0005","6.1933","0.0003","15.1581","0.0007","90","","98.79","0.004","90","","841.95","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 F2 N O3 -","- C17 H23 F2 N O3 -","- C34 H46 F4 N2 O6 -","2","1","","Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo","Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.","Organic & biomolecular chemistry","2020","18","40","8192","8198","10.1039/d0ob01811b","","","0.71073","MoKα","","0.0435","0.0392","","","0.0916","0.095","","","","","","1.099","","","","has coordinates","258962","2020-11-06","13:10:35",""
"7157727","6.0625","0.0004","22.0365","0.0015","12.8581","0.001","90","","90.522","0.007","90","","1717.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 F2 N O3 -","- C17 H23 F2 N O3 -","- C68 H92 F8 N4 O12 -","4","1","","Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo","Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.","Organic & biomolecular chemistry","2020","18","40","8192","8198","10.1039/d0ob01811b","","","0.71073","MoKα","","0.0681","0.0499","","","0.1214","0.1321","","","","","","1.064","","","","has coordinates","258962","2020-11-06","13:10:35",""
"7157728","9.5144","0.0005","13.3582","0.0007","16.0144","0.001","90","","102.194","0.002","90","","1989.43","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C96 H84 N12 O8 -","4","1","","Tang, Shi-Biao; Fu, Xiao-Pan; Wu, Gao-Rong; Zhang, Li-Li; Deng, Ke-Zuan; Yang, Jin-Yue; Xia, Cheng-Cai; Ji, Ya-Fei","Rhodium(III)-catalyzed C4-amidation of indole-oximes with dioxazolones <i>via</i> C-H activation.","Organic & biomolecular chemistry","2020","18","39","7922","7931","10.1039/d0ob01655a","","","0.71073","MoKα","","0.0751","0.0487","","","0.1096","0.1292","","","","","","1.046","","","","has coordinates","258957","2020-11-06","13:09:17",""
"7157729","9.6741","0.001","10.8198","0.0012","12.5635","0.0011","69.234","0.009","89.878","0.008","72.178","0.01","1162.2","0.2","295.44","0.1","295.44","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12.8 H8.8 N0.4 O0.4 -","- C12.8 H8.8 N0.4 O0.4 -","- C64 H44 N2 O2 -","5","2.5","","Xu, Fen; Zhu, Wen-Jing; Wang, Juan; Ma, Qi; Shen, Li-Jing","Rhodium-catalyzed synthesis of substituted isoquinolones <i>via</i> a selective decarbonylation/alkyne insertion cascade of phthalimides.","Organic & biomolecular chemistry","2020","18","40","8219","8223","10.1039/d0ob01793k","","x-ray","1.54184","CuKα","","0.1907","0.1657","","","0.4066","0.4291","","","","","","2.237","","","","has coordinates","258961","2020-11-06","13:10:19",""
"7157730","8.1628","0.0006","13.0501","0.0008","13.9274","0.001","90","","103.346","0.008","90","","1443.55","0.18","111.95","0.1","111.95","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0371","0.036","","","0.0933","0.0948","","","","","","1.023","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157731","7.2801","0.0002","9.9611","0.0003","18.9298","0.0005","90","","90","","90","","1372.75","0.07","111.65","0.1","111.65","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.036","0.035","","","0.0892","0.09","","","","","","1.075","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157732","16.8403","0.0003","10.54278","0.00019","7.78736","0.00014","90","","90","","90","","1382.6","0.04","110.2","0.14","110.2","0.14","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0349","0.0337","","","0.0882","0.0895","","","","","","1.031","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157733","7.1617","0.0001","9.7401","0.0002","18.6984","0.0003","90","","90","","90","","1304.32","0.04","100.02","0.1","100.02","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0362","0.0334","","","0.0853","0.0868","","","","","","1.085","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157734","9.6261","0.00009","6.61723","0.00011","14.2237","0.0002","90","","98.0027","0.0011","90","","897.2","0.02","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-tert-butyl 4-((R)-2-(4-chlorophenyl)-5-oxo-2,5-dihydrofuran-2-yl)-2-oxopyrrolidine-1-carboxylate","","- C19 H20 Cl N O5 -","- C19 H20 Cl N O5 -","- C38 H40 Cl2 N2 O10 -","2","1","","Romaniszyn, Marta; Sieroń, Lesław; Albrecht, Łukasz","Asymmetric vinylogous Michael addition of 5-substituted-furan-2(3<i>H</i>)-ones to an α,β-unsaturated-γ-lactam.","Organic & biomolecular chemistry","2020","18","42","8633","8637","10.1039/d0ob01750g","","x-ray","1.54184","CuKα","","0.0225","0.0225","","","0.0589","0.0589","","","","","","1.055","","","","has coordinates","258955","2020-11-06","13:09:02",""
"7157735","17.1752","0.0002","8.82114","0.00017","24.8611","0.0005","90","","90","","90","","3766.58","0.11","150","0.2","150","0.2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C40 H52 O11 -","- C40 H52 O11 -","- C160 H208 O44 -","4","0.5","","Choo, Yvonne S. L.; Giamberini, Marta; Antonio, José; Waddell, Paul G.; Benniston, Andrew C.","Functionalized fluorescent terephthalate monomers and their attempted polyester formation.","Organic & biomolecular chemistry","2020","18","42","8735","8745","10.1039/d0ob01533d","","","1.54184","CuKα","","0.0486","0.0357","","","0.0846","0.0925","","","","","","1.041","","","","has coordinates","258954","2020-11-06","13:08:55",""
"7157736","12.9152","0.0018","15.907","0.002","18.038","0.003","90","","90","","90","","3705.8","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H N O -","- C2.7027 H2.05405 N0.108108 O0.324324 -","- C200 H152 N8 O24 -","74","9.25","","Liu, Siyuan; Wang, Hang; Wang, Baomin","Catalyst-free construction of spiro [benzoquinolizidine-chromanones] <i>via</i> a tandem condensation/1,5-hydride transfer/cyclization process.","Organic & biomolecular chemistry","2020","18","43","8839","8843","10.1039/d0ob01887b","","","0.71073","MoKα","","0.0746","0.0444","","","0.1062","0.1244","","","","","","0.996","","","","has coordinates","259622","2020-12-06","14:47:31",""
"7157737","8.3127","0.0002","17.1849","0.0003","20.9916","0.0004","90","","90","","90","","2998.71","0.11","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","1","","Jaspal, Sonam; Shinde, Vikki N.; Meena, Neha; Nipate, Dhananjay S.; Rangan, Krishnan; Kumar, Anil","Metal-free benzoylation of imidazoheterocycles by oxidative decarboxylation of arylglyoxylic acids.","Organic & biomolecular chemistry","2020","18","44","9072","9080","10.1039/d0ob01842b","","x-ray","1.54184","CuKα","","0.0464","0.0442","","","0.1217","0.1239","","","","","","1.096","","","","has coordinates","259620","2020-12-06","14:47:06",""
"7157738","11.158","0.002","11.434","0.002","15.708","0.003","90","","96.925","0.004","90","","1989.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N5 O2 -","- C23 H17 N5 O2 -","- C92 H68 N20 O8 -","4","1","","Ge, Junying; Ding, Qiuping; Yang, Man; He, Tian; Peng, Yiyuan","Copper and manganese co-mediated cascade aza-Michael addition/cyclization and azidation of 1,3-enynes: regioselective synthesis of fully substituted azido pyrroles.","Organic & biomolecular chemistry","2020","18","43","8908","8915","10.1039/d0ob01927e","","","0.71073","MoKα","","0.1534","0.1017","","","0.2944","0.3298","","","","","","1.16","","","","has coordinates","259621","2020-12-06","14:47:25",""
"7157739","29.8793","0.0017","7.7831","0.0004","12.7135","0.0007","90","","93.634","0.005","90","","2950.6","0.3","90","2","93.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C144 H112 Cl8 N8 O24 -","8","1","","Yugandar, Somaraju; Morita, Taiki; Nakamura, Hiroyuki","Rhodium(III)-catalysed decarboxylative C-H functionalization of isoxazoles with alkenes and sulfoxonium ylides.","Organic & biomolecular chemistry","2020","18","42","8625","8628","10.1039/d0ob02027c","","","1.54184","CuKα","","0.0462","0.0435","","","0.1231","0.1253","","","","","","1.106","","","","has coordinates","258953","2020-11-06","13:08:47",""
"7157740","5.6056","0.0006","17.422","0.002","22.161","0.002","90","","90","","90","","2164.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F N3 -","- C26 H24 F N3 -","- C104 H96 F4 N12 -","4","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.1026","0.0684","","","0.1064","0.1217","","","","","","1.034","","","","has coordinates","259436","2020-12-02","05:21:41",""
"7157741","9.2995","0.0005","9.7287","0.0005","37.4385","0.0019","90","","90","","90","","3387.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 F N3 -","- C21 H16 F N3 -","- C168 H128 F8 N24 -","8","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.0771","0.044","","","0.0892","0.1079","","","","","","1.076","","","","has coordinates","259436","2020-12-02","05:21:42",""
"7157742","5.4142","0.0007","20.89","0.003","8.3858","0.0011","90","","92.126","0.004","90","","947.8","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 F N3 O -","- C24 H20 F N3 O -","- C48 H40 F2 N6 O2 -","2","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.0936","0.0692","","","0.1444","0.157","","","","","","1.055","","","","has coordinates","259436","2020-12-02","05:21:42",""
"7157743","10.7714","0.0001","11.3185","0.0001","13.3343","0.0001","66.429","0.001","80.647","0.001","75.079","0.001","1436.53","0.02","100","0.13","100","0.13","","","","","","","","4","P 1","P 1","1","","","","- C37 H29 N O4 -","- C37 H29 N O4 -","- C74 H58 N2 O8 -","2","2","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","1.54184","CuKα","","0.0266","0.0261","","","0.0655","0.0658","","","","","","1.059","","","","has coordinates","260816","2021-01-07","07:07:09",""
"7157744","12.9632","0.0001","12.9632","0.0001","16.2424","0.0002","90","","90","","120","","2363.77","0.04","294","","294","","","","","","","","","4","P 31","P 31","144","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C108 H78 N6 O6 -","3","1","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","1.54184","CuKα","","0.0347","0.0329","","","0.0963","0.0987","","","","","","1.1","","","","has coordinates,has disorder","260816","2021-01-07","07:07:10",""
"7157745","9.3208","0.0003","15.9714","0.0005","19.0521","0.0006","90","","90","","90","","2836.21","0.16","133.15","","133.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N2 O2 -","- C36 H32 N2 O2 -","- C144 H128 N8 O8 -","4","1","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","0.71073","MoKα","","0.0537","0.0426","","","0.093","0.0993","","","","","","1.042","","","","has coordinates,has disorder","260816","2021-01-07","07:07:10",""
"7157746","3.8839","0.0006","8.7474","0.0009","22.667","0.0014","81.742","0.008","88.786","0.009","85.859","0.01","760.07","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Br N2 O -","- C7 H7 Br N2 O -","- C28 H28 Br4 N8 O4 -","4","2","","Li, Yibiao; Huang, Shuo; Li, Jiaming; Li, Jian; Ji, Xiaoliang; Liu, Jiasheng; Chen, Lu; Peng, Shiyong; Zhang, Kun","Access to 2-pyridinylamide and imidazopyridine from 2-fluoropyridine and amidine hydrochloride","Organic & Biomolecular Chemistry","2020","18","45","9292","9299","10.1039/D0OB01904F","","x-ray","1.54184","CuKα","","0.0688","0.0627","","","0.1877","0.1915","","","","","","1.071","","","","has coordinates","259438","2020-12-02","05:23:45",""
"7157747","17.8252","0.0006","7.4804","0.0002","10.9523","0.0004","90","","105.159","0.004","90","","1409.56","0.08","123.15","","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","KUTYY-26bicycloPr","","- C12 H19 N5 O4 -","- C12 H19 N5 O4 -","- C48 H76 N20 O16 -","4","1","","Nakaike, Yumi; Yoshida, Yusuke; Yokoyama, Soichi; Ito, Akitaka; Nishiwaki, Nagatoshi","Synthesis and intramolecular ring transformation of N,N′-dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes","Organic & Biomolecular Chemistry","2020","18","44","9109","9116","10.1039/D0OB01950J","","x-ray","0.71073","MoKα","","0.0408","0.0343","","","0.0841","0.0871","","","","","","1.053","","","","has coordinates","259439","2020-12-02","05:24:17",""
"7157748","14.4032","0.0016","9.8582","0.0002","19.916","0.002","90","","140.02","0.02","90","","1817","0.8","93.15","","93.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","KUTYY-29bicycloBn","","- C20 H19 N5 O4 -","- C20 H19 N5 O4 -","- C80 H76 N20 O16 -","4","1","","Nakaike, Yumi; Yoshida, Yusuke; Yokoyama, Soichi; Ito, Akitaka; Nishiwaki, Nagatoshi","Synthesis and intramolecular ring transformation of N,N′-dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes","Organic & Biomolecular Chemistry","2020","18","44","9109","9116","10.1039/D0OB01950J","","x-ray","0.71073","MoKα","","0.0399","0.0351","","","0.086","0.0892","","","","","","1.057","","","","has coordinates","259439","2020-12-02","05:24:18",""
"7157749","13.738","0.013","15.885","0.013","7.706","0.006","90","","111.13","0.04","90","","1569","2","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","Ahn, Hye-In; Park, Jong-Un; Xuan, Zi; Kim, Ju Hyun","Pd-Catalyzed asymmetric [5 + 2] cycloaddition of vinylethylene carbonates and cyclic imines: access to N-fused 1,3-oxazepines.","Organic & biomolecular chemistry","2020","18","48","9826","9830","10.1039/d0ob02159h","","","0.71073","MoKα","","0.0361","0.0317","","","0.0732","0.0761","","","","","","1.044","","","","has coordinates","260821","2021-01-07","07:07:44",""
"7157750","4.4944","0.0006","5.4263","0.0007","12.2978","0.0016","97.735","0.011","94.192","0.011","92.2","0.011","296.04","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H13 Cl N4 O -","- C11 H13 Cl N4 O -","- C11 H13 Cl N4 O -","1","1","","Zhang, Yanhua; Lin, Yun; Hou, Qianqian; Liu, Xi; Pricl, Sabrina; Peng, Ling; Xia, Yi","Novel aryltriazole acyclic C-azanucleosides as anticancer candidates.","Organic & biomolecular chemistry","2020","18","47","9689","9699","10.1039/d0ob02164d","","","0.71073","MoKα","","0.0636","0.0426","","","0.0975","0.1135","","","","","","1.045","","","","has coordinates","260815","2021-01-07","07:06:34",""
"7157751","9.9981","0.0003","15.1043","0.0003","18.6398","0.0004","90","","92.173","0.002","90","","2812.85","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Cl3 N2 O4 S -","- C28 H25 Cl3 N2 O4 S -","- C112 H100 Cl12 N8 O16 S4 -","4","1","","Wan, Shu-Hao; Li, Xuan-An; Liu, Yi-Hung; Liu, Shiuh-Tzung","<i>N</i>-Allylation <i>versus C</i>-allylation of intermediates from aza-Michael adducts of arylideneisoxazol-5-ones.","Organic & biomolecular chemistry","2020","18","46","9516","9525","10.1039/d0ob01998d","","","0.71073","MoKα","","0.082","0.0581","","","0.1445","0.1642","","","","","","1.01","","","","has coordinates,has disorder","260812","2021-01-07","07:06:06",""
"7157752","26.0749","0.0009","9.8982","0.0003","23.541","0.0008","90","","105.383","0.004","90","","5858.1","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 Cl3 N2 O4 S -","- C29 H27 Cl3 N2 O4 S -","- C232 H216 Cl24 N16 O32 S8 -","8","1","","Wan, Shu-Hao; Li, Xuan-An; Liu, Yi-Hung; Liu, Shiuh-Tzung","<i>N</i>-Allylation <i>versus C</i>-allylation of intermediates from aza-Michael adducts of arylideneisoxazol-5-ones.","Organic & biomolecular chemistry","2020","18","46","9516","9525","10.1039/d0ob01998d","","","0.71073","MoKα","","0.0986","0.0667","","","0.17","0.1971","","","","","","1.018","","","","has coordinates","260812","2021-01-07","07:06:06",""
"7157753","22.788","0.004","9.824","0.001","19.984","0.004","90","","123.49","0.03","90","","3731.1","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C168 H152 Cl8 N16 O24 -","8","1","","Wan, Shu-Hao; Li, Xuan-An; Liu, Yi-Hung; Liu, Shiuh-Tzung","<i>N</i>-Allylation <i>versus C</i>-allylation of intermediates from aza-Michael adducts of arylideneisoxazol-5-ones.","Organic & biomolecular chemistry","2020","18","46","9516","9525","10.1039/d0ob01998d","","","0.71073","MoKα","","0.0784","0.056","","","0.1419","0.1691","","","","","","1.07","","","","has coordinates","260812","2021-01-07","07:06:06",""
"7157754","14.8685","0.0008","8.0336","0.0004","16.456","0.0009","90","","93.1431","0.0007","90","","1962.67","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Wang, Baolei; Constantin, Marius-Georgian; Singh, Simarpreet; Zhou, Yuqiao; Davis, Rebecca L.; West, F. G.","Generation and trapping of electron-deficient 1,2-cyclohexadienes. Unexpected hetero-Diels-Alder reactivity.","Organic & biomolecular chemistry","2021","19","2","399","405","10.1039/d0ob02285c","","","0.71073","MoKα","","0.0704","0.0562","","","0.1531","0.1652","","","","","","1.078","","","","has coordinates","261759","2021-02-04","23:30:35",""
"7157755","10.4535","0.0009","11.5142","0.001","17.3923","0.0014","71.1047","0.0011","87.8758","0.0011","89.5875","0.0011","1979.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","2","","Wang, Baolei; Constantin, Marius-Georgian; Singh, Simarpreet; Zhou, Yuqiao; Davis, Rebecca L.; West, F. G.","Generation and trapping of electron-deficient 1,2-cyclohexadienes. Unexpected hetero-Diels-Alder reactivity.","Organic & biomolecular chemistry","2021","19","2","399","405","10.1039/d0ob02285c","","","0.71073","MoKα","","0.0792","0.0521","","","0.131","0.1518","","","","","","1.023","","","","has coordinates","261759","2021-02-04","23:30:35",""
"7157756","15.4338","0.0003","8.3344","0.0002","16.0463","0.0003","90","","110.518","0.0008","90","","1933.12","0.07","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Wang, Baolei; Constantin, Marius-Georgian; Singh, Simarpreet; Zhou, Yuqiao; Davis, Rebecca L.; West, F. G.","Generation and trapping of electron-deficient 1,2-cyclohexadienes. Unexpected hetero-Diels-Alder reactivity.","Organic & biomolecular chemistry","2021","19","2","399","405","10.1039/d0ob02285c","","","1.54178","CuKα","","0.0455","0.043","","","0.126","0.1286","","","","","","1.103","","","","has coordinates","261759","2021-02-04","23:30:35",""
"7157757","11.3621","0.0009","11.4447","0.0009","11.5177","0.0009","90","","119.266","0.001","90","","1306.54","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Chiral Iridicyle 1","Chiral Iridicyle 1","","- C31 H31 Cl Ir N O -","- C31 H31 Cl Ir N O -","- C62 H62 Cl2 Ir2 N2 O2 -","2","1","","Smith, Jennifer; Kacmaz, Aysecik; Wang, Chao; Villa-Marcos, Barbara; Xiao, Jianliang","Chiral cyclometalated iridium complexes for asymmetric reduction reactions.","Organic & biomolecular chemistry","2021","19","1","279","284","10.1039/d0ob02049d","","","0.71073","MoKα","","0.0206","0.0197","","","0.0442","0.0445","","","","","","0.748","","","","has coordinates","261757","2021-02-04","23:30:19",""
"7157758","7.7357","0.0005","14.3256","0.0009","22.7397","0.0014","90","","90","","90","","2520","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Chiral Iridicyle 2","Chiral Iridicyle 2","","- C31 H31 Cl Ir N O -","- C31 H31 Cl Ir N O -","- C124 H124 Cl4 Ir4 N4 O4 -","4","1","","Smith, Jennifer; Kacmaz, Aysecik; Wang, Chao; Villa-Marcos, Barbara; Xiao, Jianliang","Chiral cyclometalated iridium complexes for asymmetric reduction reactions.","Organic & biomolecular chemistry","2021","19","1","279","284","10.1039/d0ob02049d","","","0.71073","MoKα","","0.0154","0.0146","","","0.0332","0.0334","","","","","","1.028","","","","has coordinates","261757","2021-02-04","23:30:19",""
"7157759","11.042","0.0005","8.8933","0.0005","16.9598","0.0012","90","","95.377","0.005","90","","1658.12","0.17","295","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H18 Cl N O6 -","- C16 H18 Cl N O6 -","- C64 H72 Cl4 N4 O24 -","4","1","","Bakthadoss, Manickam; Mushaf, Mohammad","Intramolecular [3 + 2] nitrone cycloaddition reaction: highly regio and diastereoselective synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2020","18","47","9653","9659","10.1039/d0ob01960g","","","0.71073","MoKα","","0.0899","0.0582","","","0.1493","0.1771","","","","","","1.0578","","","","has coordinates","260814","2021-01-07","07:06:29",""
"7157760","8.8725","0.0004","11.6847","0.0005","16.8773","0.0008","90","","102.266","0.002","90","","1709.77","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Shen, Bing-Xue; Min, Xiang-Ting; Hu, Yan-Cheng; Qian, Lei-Lei; Yang, Sa-Na; Wan, Boshun; Chen, Qing-An","Copper-catalyzed boroacylation of allenes to access tetrasubstituted vinylboronates","Organic & Biomolecular Chemistry","2020","18","45","9253","9260","10.1039/D0OB02008G","","","0.71073","MoKα","","0.0679","0.0607","","","0.1587","0.1658","","","","","","1.266","","","","has coordinates","259446","2020-12-02","05:28:01",""
"7157761","11.8524","0.0008","12.1284","0.0008","14.3084","0.001","90","","107.05","0.007","90","","1966.4","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Huang, Jian; Fu, Yang; Deng, Zhihong; Chen, Wei; Song, Zhibin; Peng, Yiyuan","Rhodium-catalyzed oxidative annulation of 1H-indazoles with alkynes for the synthesis of indazolo[3,2-a]isoquinolines via C-H bond functionalization.","Organic & biomolecular chemistry","2020","18","48","9863","9872","10.1039/d0ob02060e","","","0.71073","MoKα","","0.0677","0.0488","","","0.1076","0.1168","","","","","","1.049","","","","has coordinates","260820","2021-01-07","07:07:39",""
"7157762","11.6835","0.0005","10.2297","0.0004","18.6723","0.0004","90","","101.857","0.002","90","","2184.07","0.14","109.4","0.2","109.4","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Br O5 -","- C26 H21 Br O5 -","- C104 H84 Br4 O20 -","4","1","","Wang, Ru-Bing; Ren, Xiao-Dong; He, Jie; Zhu, Shan-Shan; Xie, Hui-Ru; Su, Guo-Zhu; Ma, Shuang-Gang; Yu, Shi-Shan","Burchellin and its stereoisomers: total synthesis, structural elucidation and antiviral activity","Organic & Biomolecular Chemistry","2020","18","44","9081","9087","10.1039/D0OB01889A","","x-ray","1.54184","CuKα","","0.045","0.0396","","","0.1037","0.1079","","","","","","1.055","","","","has coordinates","259448","2020-12-02","05:29:03",""
"7157763","18.614","0.004","9.112","0.0018","16.553","0.003","90","","107.01","0.03","90","","2684.7","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C128 H88 Cl8 N16 O8 -","8","1","","Lin, Xinxin; Zeng, Cuilian; Liu, Chengkou; Fang, Zheng; Guo, Kai","C-5 selective chlorination of 8-aminoquinoline amides using dichloromethane.","Organic & biomolecular chemistry","2021","19","6","1352","1357","10.1039/d0ob02055a","","","0.71073","MoKα","","0.0763","0.0536","","","0.14","0.1581","","","","","","1.004","","","","has coordinates","262721","2021-03-05","02:26:06",""
"7157764","10.5825","0.0001","10.9351","0.0002","20.533","0.0003","90","","94.269","0.001","90","","2369.5","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N0.25 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Yin, Xinru; Xu, Aimin; Hu, Jidi; Bao, Ming; Hu, Wenhao; Qian, Yu","A Rh(ii)/phosphoric acid co-catalyzed three-component reaction of diazo-ketones with alcohols and azonaphthalenes: access to indole derivatives via a formal [3 + 2]-cycloaddition.","Organic & biomolecular chemistry","2020","18","48","9805","9809","10.1039/d0ob02189j","","x-ray","1.54184","CuKα","","0.0477","0.0429","","","0.1235","0.1325","","","","","","0.783","","","","has coordinates","260825","2021-01-07","07:08:23",""
"7157765","26.6744","0.0001","26.6744","0.0001","18.1796","0.0001","90","","90","","90","","12935.2","0.1","100","0.1","100","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C152 H108 Cl12 N8 O8 S -","- C152 H100 Cl12 N8 O8 S -","- C608 H400 Cl48 N32 O32 S4 -","4","0.25","","Yin, Xinru; Xu, Aimin; Hu, Jidi; Bao, Ming; Hu, Wenhao; Qian, Yu","A Rh(ii)/phosphoric acid co-catalyzed three-component reaction of diazo-ketones with alcohols and azonaphthalenes: access to indole derivatives via a formal [3 + 2]-cycloaddition.","Organic & biomolecular chemistry","2020","18","48","9805","9809","10.1039/d0ob02189j","","x-ray","1.54184","CuKα","","0.0779","0.077","","","0.1983","0.1989","","","","","","1.061","","","","has coordinates,has disorder","260825","2021-01-07","07:08:23",""
"7157766","14.0142","0.0004","21.038","0.0005","9.3503","0.0003","90","","90.176","0.002","90","","2756.74","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 Cl3 N2 O4 -","- C33 H21 Cl3 N2 O4 -","- C132 H84 Cl12 N8 O16 -","4","1","","Yin, Xinru; Xu, Aimin; Hu, Jidi; Bao, Ming; Hu, Wenhao; Qian, Yu","A Rh(ii)/phosphoric acid co-catalyzed three-component reaction of diazo-ketones with alcohols and azonaphthalenes: access to indole derivatives via a formal [3 + 2]-cycloaddition.","Organic & biomolecular chemistry","2020","18","48","9805","9809","10.1039/d0ob02189j","","x-ray","1.54184","CuKα","","0.0703","0.0542","","","0.1183","0.1261","","","","","","1.06","","","","has coordinates","260825","2021-01-07","07:08:23",""
"7157767","8.1923","0.0011","10.0872","0.0014","13.952","0.002","75.123","0.004","88.61","0.004","78.866","0.004","1092.9","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br2 Cl N O3 -","- C22 H18 Br2 Cl N O3 -","- C44 H36 Br4 Cl2 N2 O6 -","2","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor‒acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.1293","0.0565","","","0.1377","0.173","","","","","","1.028","","","","has coordinates","259451","2020-12-02","05:31:45",""
"7157768","15.6584","0.0017","7.2134","0.0007","19.131","0.002","90","","102.956","0.003","90","","2105.8","0.4","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br Cl N O3 -","- C22 H19 Br Cl N O3 -","- C88 H76 Br4 Cl4 N4 O12 -","4","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor‒acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.0864","0.0406","","","0.1014","0.1269","","","","","","1.053","","","","has coordinates","259451","2020-12-02","05:31:50",""
"7157769","10.129","0.006","15.539","0.009","15.252","0.009","90","","105.482","0.017","90","","2313","2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C100 H108 N4 O16 -","4","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor‒acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.1042","0.0683","","","0.1954","0.2262","","","","","","1.09","","","","has coordinates","259451","2020-12-02","05:31:50",""
"7157770","24.318","0.003","9.2383","0.0011","20.24","0.003","90","","96.433","0.004","90","","4518.4","1","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 Br Cl N O3 -","- C23 H21 Br Cl N O3 -","- C184 H168 Br8 Cl8 N8 O24 -","8","1","","Luo, Naili; Liu, Jiamin; Wang, Shan; Wang, Cunde","DBU-promoted ring-opening reactions of multi-substituted donor‒acceptor cyclopropanes: access to functionalized chalcones with a quaternary carbon group","Organic & Biomolecular Chemistry","2020","18","45","9210","9215","10.1039/D0OB01895C","","","0.71073","MoKα","","0.1794","0.0593","","","0.1245","0.1624","","","","","","1","","","","has coordinates","259451","2020-12-02","05:31:50",""
"7157771","9.3441","","13.5093","","16.7025","","98.858","","102.47","","91.92","","2029.23","","93","","93","","","","","","","","","7","P -1","-P 1","2","","Zn-3c","","- C39 H53 Br N4 O4 Si3 Zn -","- C39 H53 Br N4 O4 Si3 Zn -","- C78 H106 Br2 N8 O8 Si6 Zn2 -","2","1","","Hayashi, Satoshi; Takamatsu, Rina; Takeda, Shiori; Noji, Masahiro; Takanami, Toshikatsu","Central zinc metal-controlled regioselective meso-bromination of zincatedβ-silylporphyrins-rapid access to meso,β-dual-functionalized porphyrins.","Organic & biomolecular chemistry","2020","18","48","9791","9795","10.1039/d0ob02262d","","","1.54187","CuKα","","0.2093","0.1381","","","0.2792","0.3577","","","","","","1.046","","","","has coordinates","260826","2021-01-07","07:08:29",""
"7157772","41.0905","0.0009","12.1637","0.00011","21.1598","0.0005","90","","134.872","0.004","90","","7495","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 N3 O8 -","- C43 H39 N3 O8 -","- C344 H312 N24 O64 -","8","1","","Li, Chen-Yi; Xiang, Min; Song, Xiang-Jia; Zou, Ying; Huang, Zhi-Cheng; Li, Xia; Tian, Fang; Wang, Li-Xin","A base-catalyzed domino reaction between isoindigos and α-alkylidene succinimides-convenient preparation of highly steric bispirooxindoles.","Organic & biomolecular chemistry","2020","18","46","9511","9515","10.1039/d0ob01858a","","x-ray","1.54184","CuKα","","0.0521","0.0458","","","0.1241","0.1307","","","","","","1.041","","","","has coordinates","260810","2021-01-07","07:05:41",""
"7157773","5.9286","0.0005","8.2863","0.0007","8.6201","0.0008","109.21","0.003","90.208","0.003","103.829","0.002","386.74","0.06","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C17 H19 N O3 S -","1","1","","Yang, Shuang; Chen, Yuhang; Yuan, Zidan; Bu, Feiyu; Jiang, Cheng; Ding, Zhenhua","Divergent synthesis of oxazolidines and morpholines <i>via</i> PhI(OAc)<sub>2</sub>-mediated difunctionalization of alkenes.","Organic & biomolecular chemistry","2020","18","48","9873","9882","10.1039/d0ob01987a","","","0.71073","MoKα","","0.08","0.0527","","","0.0947","0.1105","","","","","","1.086","","","","has coordinates,has disorder","260822","2021-01-07","07:07:53",""
"7157774","10.4037","0.0001","10.6504","0.0001","13.4206","0.0001","90","","90","","90","","1487.05","0.02","150","","150","","","","","","","","from U of Wollongong","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cl N O2 -","- C17 H20 Cl N O2 -","- C68 H80 Cl4 N4 O8 -","4","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0341","0.034","","0.0921","0.0919","0.0921","","","","","","1.0026","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157775","12.2886","0.0002","7.0684","0.0001","13.9005","0.0002","90","","104.496","0.0013","90","","1168.97","0.03","150","","150","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Cl N O2 Si -","- C23 H34 Cl N O2 Si -","- C46 H68 Cl2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.048","0.0478","","0.134","0.1339","0.134","","","","","","1.0042","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157776","10.6602","0.0005","8.6837","0.0003","12.1854","0.0005","90","","92.849","0.003","90","","1126.61","0.08","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","0.71073","MoKα","","0.0461","0.0418","","0.096","0.0935","0.096","","","","","","1.0171","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157777","9.2571","0.0001","8.0452","0.0001","16.5061","0.0001","90","","98.63","0.0008","90","","1215.38","0.02","150","","150","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Cl N O2 Si -","- C23 H34 Cl N O2 Si -","- C46 H68 Cl2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0403","0.0401","","0.1072","0.1066","0.1072","","","","","","1.0007","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157778","7.702","0.0001","11.2053","0.0002","14.0796","0.0002","90","","90.9742","0.0014","90","","1214.94","0.03","150","","150","","","","","","","","from U of Wollongong","7","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl F N O2 Si -","- C23 H35 Cl F N O2 Si -","- C46 H70 Cl2 F2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0524","0.0512","","0.1395","0.138","0.1395","","","","","","1.0009","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157779","11.0485","0.0006","7.5574","0.0003","14.9506","0.0007","90","","108.179","0.005","90","","1186.03","0.1","150","","150","","","","","","","","from U of Wollongong","7","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl F N O2 Si -","- C23 H35 Cl F N O2 Si -","- C46 H70 Cl2 F2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0598","0.0555","","0.1504","0.1436","0.1504","","","","","","0.9961","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157780","16.216","0.0005","8.5645","0.0002","16.5649","0.0005","90","","117.934","0.001","90","","2032.52","0.1","150","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C12 H7 N3 S -","- C12 H7 N3 S -","- C96 H56 N24 S8 -","8","4","","Yang, Zhen; He, Jing; Wei, Yueting; Li, Weiwei; Liu, Ping; Zhao, Jixing; Wei, Yu","NCS-promoted thiocyanation and selenocyanation of pyrrolo[1,2-a]quinoxalines","Organic & Biomolecular Chemistry","2020","18","44","9088","9094","10.1039/D0OB01818J","","","0.71073","MoKα","","0.0683","0.0451","","","0.0869","0.0997","","","","","","1.046","","","","has coordinates","259456","2020-12-02","05:34:38",""
"7157781","8.3229","0.0002","10.5201","0.0002","13.8336","0.0003","88.816","0.002","73.989","0.002","76.976","0.002","1133.19","0.05","99.9","0.9","99.9","0.9","","","","","","","","3","P -1","-P 1","2","","Trieffnol C","","- C26 H28 O8 -","- C26 H28 O8 -","- C52 H56 O16 -","2","1","","Liu, Hongxin; Chen, Shanchong; Zhang, Xiao; Dong, Chunmao; Chen, Yuchan; Liu, Zhaoming; Tan, Haibo; Zhang, Weimin","Structural elucidation, total synthesis, and cytotoxic activity of effphenol A","Organic & Biomolecular Chemistry","2020","18","44","9035","9038","10.1039/D0OB01985B","","x-ray","1.54184","CuKα","","0.0467","0.0404","","","0.1338","0.1391","","","","","","1.141","","","","has coordinates","259457","2020-12-02","05:34:57",""
"7157782","10.102","0.0017","10.4727","0.0016","15.726","0.003","104.702","0.005","94.205","0.005","109.963","0.005","1489","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 Br N O6 -","- C33 H32 Br N O6 -","- C66 H64 Br2 N2 O12 -","2","1","","Jaiswal, Manish K.; Singh, Bhuvnesh; De, Shreemoyee; Singh, Neetu; Singh, Ravi P.","Stereoselective formal [3 + 3] annulation of 3-alkylidene-2-oxindoles with β,γ-unsaturated α-keto esters.","Organic & biomolecular chemistry","2020","18","48","9852","9862","10.1039/d0ob02046j","","","0.71073","MoKα","","0.1338","0.0632","","","0.1723","0.2137","","","","","","0.935","","","","has coordinates","260819","2021-01-07","07:07:34",""
"7157783","5.6978","0.0007","24.596","0.003","16.9362","0.0018","90","","94.356","0.004","90","","2366.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","18087z","","","- C25 H29 N O7 -","- C25 H29 N O7 -","- C100 H116 N4 O28 -","4","1","","Hammers, Matthew D.; Hodny, Michael H.; Bader, Taysir K.; Mahmoodi, M. Mohsen; Fang, Sifei; Fenton, Alexander D.; Nurie, Kadiro; Trial, Hallie O.; Xu, Feng; Healy, Andrew T.; Ball, Zachary T.; Blank, David A.; Distefano, Mark D.","Two-photon uncaging of bioactive thiols in live cells at wavelengths above 800 nm.","Organic & biomolecular chemistry","2021","19","10","2213","2223","10.1039/d0ob01986k","","","0.71073","MoKα","","0.0677","0.0538","","","0.1366","0.1467","","","","","","1.043","","","","has coordinates","263819","2021-04-05","15:14:23",""
"7157784","4.2074","0.0004","12.9179","0.0009","27.18","0.002","90","","94.001","0.007","90","","1473.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O4 -","- C19 H13 N O4 -","- C76 H52 N4 O16 -","4","1","","He, Xue-Wen; Zhou, Wei; Zhang, Min; Tian, Min-Yi; Wang, Hui-Juan; Tian, You-Ping; Liu, Xiong-Li","Transition-metal-free cascade benzannulations for synthesizing 2-hydroxybenzophenones","Organic & Biomolecular Chemistry","2020","18","44","9039","9043","10.1039/D0OB01894E","","x-ray","1.54184","CuKα","","0.0845","0.0771","","","0.2231","0.2291","","","","","","1.133","","","","has coordinates","259460","2020-12-02","05:36:08",""
"7157785","12.5309","0.0007","7.1686","0.0004","17.8685","0.001","90","","94.845","0.005","90","","1599.37","0.16","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C76 H48 Br4 N4 O16 -","4","1","","He, Xue-Wen; Zhou, Wei; Zhang, Min; Tian, Min-Yi; Wang, Hui-Juan; Tian, You-Ping; Liu, Xiong-Li","Transition-metal-free cascade benzannulations for synthesizing 2-hydroxybenzophenones","Organic & Biomolecular Chemistry","2020","18","44","9039","9043","10.1039/D0OB01894E","","x-ray","0.71073","MoKα","","0.0439","0.0328","","","0.0683","0.0725","","","","","","1.032","","","","has coordinates","259460","2020-12-02","05:36:09",""
"7157786","10.4475","0.0005","12.2806","0.0005","12.3903","0.0007","100.338","0.002","99.001","0.003","104.084","0.002","1483.14","0.13","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H32 -","- C40 H32 -","- C80 H64 -","2","1","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.1036","0.049","","","0.1054","0.1347","","","","","","1.008","","","","has coordinates","259461","2020-12-02","05:37:32",""
"7157787","14.8169","0.0009","23.135","0.0015","13.2408","0.0007","90","","94.823","0.003","90","","4522.7","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br4 -","- C12 H12 Br4 -","- C144 H144 Br48 -","12","3","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.213","0.0739","","","0.1762","0.2393","","","","","","1.022","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157788","15.6392","0.0006","18.8539","0.0009","12.4008","0.0007","90","","127.729","0.001","90","","2892","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 O13 P4 -","- C20 H38 O13 P4 -","- C80 H152 O52 P16 -","4","0.5","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.0613","0.0411","","","0.0992","0.1168","","","","","","1.07","","","","has coordinates,has disorder","259461","2020-12-02","05:37:33",""
"7157789","6.9814","0.0006","11.397","0.001","11.8876","0.0011","62.708","0.004","82.487","0.005","73.52","0.005","806.04","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.1001","0.0642","","","0.1813","0.2275","","","","","","0.956","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157790","11.6744","0.0007","9.2737","0.0006","11.2747","0.0005","90","","114.21","0.002","90","","1113.3","0.11","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","0.5","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.0607","0.0435","","","0.0998","0.1112","","","","","","1.046","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157791","6.859","0.0005","17.0662","0.0011","19.6709","0.001","90","","90","","90","","2302.6","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 -","- C28 H30 N2 -","- C112 H120 N8 -","4","1","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.0893","0.0459","","","0.0917","0.1133","","","","","","0.979","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157792","23.8429","0.0011","14.4588","0.0007","12.002","0.0005","90","","116.455","0.001","90","","3704.3","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 N12 -","- C44 H36 N12 -","- C176 H144 N48 -","4","0.5","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.081","0.0494","","","0.117","0.1456","","","","","","1.081","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157793","11.0913","0.0001","11.0913","0.0001","92.9928","0.0005","90","","90","","120","","9907.06","0.14","123","2","123","2","","","","","","","","3","P 65","P 65","170","","","","- C70 H92 O26 -","- C70 H92 O26 -","- C420 H552 O156 -","6","1","","Kikuchi, Takashi; Akita, Keiko; Koike, Hiroki; In, Yasuko; Yamada, Takeshi; Tanaka, Reiko","Carapanins A‒C: new limonoids from andiroba (Carapa guianensis) fruit oil","Organic & Biomolecular Chemistry","2020","18","45","9268","9274","10.1039/D0OB01872D","","","1.54184","CuKα","","0.0952","0.0948","","","0.2282","0.2284","","","","","","1.163","","","","has coordinates","259462","2020-12-02","05:38:34",""
"7157794","8.0223","0.0001","13.6842","0.0001","21.6959","0.0001","90","","90","","90","","2381.75","0.04","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","","Kikuchi, Takashi; Akita, Keiko; Koike, Hiroki; In, Yasuko; Yamada, Takeshi; Tanaka, Reiko","Carapanins A‒C: new limonoids from andiroba (Carapa guianensis) fruit oil","Organic & Biomolecular Chemistry","2020","18","45","9268","9274","10.1039/D0OB01872D","","","1.54184","CuKα","","0.0335","0.033","","","0.0938","0.0941","","","","","","1.11","","","","has coordinates","259462","2020-12-02","05:38:34",""
"7157795","11.1364","0.0014","19.9122","0.0018","8.5927","0.0011","90","","107.324","0.013","90","","1819","0.4","293.5","0.4","293.5","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C72 H72 N16 O16 -","4","1","","Dagar, Anuradha; Kim, Ikyon","Expansion of diazepine heterocyclic chemical space <i>via</i> sequential Knoevenagel condensation-intramolecular aza-Wittig reaction: 2-acyl-4-aryl-5<i>H</i>-pyrrolo[1,2-<i>d</i>][1,4]diazepines.","Organic & biomolecular chemistry","2020","18","48","9836","9851","10.1039/d0ob02002h","","x-ray","0.71073","MoKα","","0.1698","0.0793","","","0.1673","0.2083","","","","","","1.075","","","","has coordinates","260824","2021-01-07","07:08:07",""
"7157796","10.3803","0.0006","7.9121","0.0004","19.5926","0.0011","90","","104.061","0.005","90","","1560.93","0.15","293.6","0.13","293.6","0.13","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Dagar, Anuradha; Kim, Ikyon","Expansion of diazepine heterocyclic chemical space <i>via</i> sequential Knoevenagel condensation-intramolecular aza-Wittig reaction: 2-acyl-4-aryl-5<i>H</i>-pyrrolo[1,2-<i>d</i>][1,4]diazepines.","Organic & biomolecular chemistry","2020","18","48","9836","9851","10.1039/d0ob02002h","","x-ray","0.71073","MoKα","","0.0506","0.0415","","","0.11","0.1179","","","","","","1.074","","","","has coordinates","260824","2021-01-07","07:08:11",""
"7157797","13.5978","0.0002","14.619","0.0002","13.9308","0.0002","90","","117.095","0.002","90","","2465.33","0.08","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Cl F3 N O7 -","- C27 H21 Cl F3 N O7 -","- C108 H84 Cl4 F12 N4 O28 -","4","1","","Penjarla, Thirupathi Reddy; Kundarapu, Maheshwar; Rangan, Krishnan; Bhattacharya, Anupam","Iodine assisted synthesis of CF<sub>3</sub> appended spirodihydrofuryl/cyclopropyl oxindoles by changing the active methylene sources.","Organic & biomolecular chemistry","2020","18","47","9623","9631","10.1039/d0ob01903h","","x-ray","1.54184","CuKα","","0.0584","0.0542","","","0.1559","0.1594","","","","","","1.101","","","","has coordinates","260817","2021-01-07","07:07:17",""
"7157798","8.8532","0.0001","13.7373","0.0002","11.5286","0.0002","90","","107.761","0.002","90","","1335.27","0.04","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 F3 N3 O6 -","- C28 H26 F3 N3 O6 -","- C56 H52 F6 N6 O12 -","2","1","","Penjarla, Thirupathi Reddy; Kundarapu, Maheshwar; Rangan, Krishnan; Bhattacharya, Anupam","Iodine assisted synthesis of CF<sub>3</sub> appended spirodihydrofuryl/cyclopropyl oxindoles by changing the active methylene sources.","Organic & biomolecular chemistry","2020","18","47","9623","9631","10.1039/d0ob01903h","","x-ray","1.54184","CuKα","","0.0341","0.033","","","0.0885","0.0893","","","","","","1.095","","","","has coordinates","260817","2021-01-07","07:07:20",""
"7157799","8.0525","0.0005","15.8806","0.001","15.2504","0.001","90","","94.189","0.002","90","","1945","0.2","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 S2 -","- C22 H21 N O2 S2 -","- C88 H84 N4 O8 S8 -","4","1","","Wu, Jia-Yu; Liao, Wei-Jr; Lin, Xiu-Yi; Liang, Chien-Fu","A facile access to <i>N</i>-sulfonylthioimidates and their use for the transformation to 3,4-dihydroquinazolines.","Organic & biomolecular chemistry","2020","18","43","8881","8885","10.1039/d0ob01963a","","","0.71076","MoKα","","0.0382","0.0333","","","0.0869","0.1018","","","","","","1.126","","","","has coordinates","259563","2020-12-05","14:39:24",""
"7157800","8.0991","0.0003","10.0866","0.0003","10.5705","0.0003","75.779","0.001","69.449","0.001","67.461","0.001","740.63","0.04","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C40 H28 Cl2 N2 O2 -","2","1","","Zheng, Jing; He, Xiaojie; Xu, Hong; Liu, Hua; Yang, Weiran","A formal [3 + 2] annulation reaction of propargyl sulfonium compounds and <i>N</i>-ylides: access to pyrrolo[2,1-<i>a</i>]quinolines, pyrrolo[2,1-<i>a</i>]phthalazines and indolizines.","Organic & biomolecular chemistry","2020","18","43","8867","8875","10.1039/d0ob01739f","","","1.34139","GaKα","","0.0418","0.0372","","","0.099","0.1025","","","","","","1.035","","","","has coordinates","259564","2020-12-05","14:39:43",""
"7157801","11.3742","0.0004","18.028","0.0007","7.5166","0.0003","90","","106.736","0.002","90","","1476.02","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2.5 H2 Cl0.33 O0.67 -","- C2.5 H2 Cl0.333333 O0.666667 -","- C60 H48 Cl8 O16 -","24","6","","Xie, Zhen-Zhen; Deng, Zhi-Xiong; Zheng, Yu; Chen, Yan-Shan; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-mediated domino sequence of salicylaldehyde with but-3-yn-2-one: rapid access to chromanone.","Organic & biomolecular chemistry","2020","18","43","8916","8920","10.1039/d0ob01588a","","","0.71073","MoKα","","0.0527","0.0451","","","0.1268","0.1359","","","","","","1.052","","","","has coordinates","259565","2020-12-05","14:40:06",""
"7157802","8.1722","0.0004","10.5252","0.0005","13.3654","0.0006","80.905","0.001","79.401","0.001","76.274","0.001","1089.82","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br N2 O3 S -","- C24 H19 Br N2 O3 S -","- C48 H38 Br2 N4 O6 S2 -","2","1","","Feng, Jiajun; He, Tiantong; Xie, Yuxing; Yu, Yang; Baell, Jonathan B.; Huang, Fei","I<sub>2</sub>-Promoted [4 + 2] cycloaddition of <i>in situ</i> generated azoalkenes with enaminones: facile and efficient synthesis of 1,4-dihydropyridazines and pyridazines.","Organic & biomolecular chemistry","2020","18","46","9483","9493","10.1039/d0ob01958e","","","0.71073","MoKα","","0.0352","0.03","","","0.0784","0.0819","","","","","","1.018","","","","has coordinates","260813","2021-01-07","07:06:22",""
"7157803","13.71398","0.00013","15.00188","0.00015","9.01525","0.00008","90","","93.206","0.0009","90","","1851.85","0.03","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 B F2 N3 O S -","- C22 H14 B F2 N3 O S -","- C88 H56 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Kravets, Mykola; Luboradzki, Roman; Volyniuk, Dmytro; Sashuk, Volodymyr; Grazulevicius, Juozas Vidas","Carbazole-modified thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinines exhibiting aggregation-induced emission and mechanofluorochromism.","Organic & biomolecular chemistry","2021","19","2","406","415","10.1039/d0ob02225j","","x-ray","1.54184","CuKα","","0.037","0.0367","","","0.0994","0.0998","","","","","","1.0537","","","","has coordinates","261760","2021-02-04","23:30:47",""
"7157804","9.5125","0.0009","10.2643","0.001","14.9575","0.0014","90","","90","","90","","1460.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","","Gao, Yu-Qi; Hou, Yi; Chen, Junhan; Zhen, Yanxia; Xu, Dongyang; Zhang, Hongli; Wei, Hongbo; Xie, Weiqing","Asymmetric synthesis of 9-alkyl tetrahydroxanthenones <i>via</i> tandem asymmetric Michael/cyclization promoted by chiral phosphoric acid.","Organic & biomolecular chemistry","2021","19","2","348","354","10.1039/d0ob02140g","","","1.54178","CuKα","","0.0351","0.029","","","0.0795","0.0817","","","","","","1.047","","","","has coordinates","261762","2021-02-04","23:30:57",""
"7157805","12.3306","0.0006","9.6662","0.0006","21.3703","0.0012","90","","91.206","0.002","90","","2546.6","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O3 -","- C31 H27 N O3 -","- C124 H108 N4 O12 -","4","1","","He, Chun-Ting; Han, Xiao-Li; Zhang, Yan-Xue; Du, Zhen-Ting; Si, Chang-Mei; Wei, Bang-Guo","Sc(OTf)<sub>3</sub>-catalyzed [3 + 2]-cycloaddition of nitrones with ynones.","Organic & biomolecular chemistry","2021","19","2","457","466","10.1039/d0ob02158j","","","0.71073","mokα","","0.0641","0.0426","","","0.0996","0.1138","","","","","","1.053","","","","has coordinates","261763","2021-02-04","23:31:03",""
"7157806","8.1617","0.0004","24.6313","0.0011","11.5178","0.0007","90","","91.993","0.005","90","","2314.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 Cl F3 N2 O2 -","- C26 H20 Cl F3 N2 O2 -","- C104 H80 Cl4 F12 N8 O8 -","4","2","","Liu, Shuai-Jiang; Mao, Qing; Zhan, Gu; Qin, Rui; Chen, Ben-Hong; Xue, Jing; Luo, Meng-Lan; Zhao, Qian; Han, Bo","Stereoselective synthesis of trifluoroethyl 3,2'-spirooxindole γ-lactam through the organocatalytic cascade reaction of 3-((2,2,2-trifluoroethyl)amino)indolin-2-one.","Organic & biomolecular chemistry","2021","19","2","467","475","10.1039/d0ob02166k","","x-ray","0.71073","MoKα","","0.0763","0.0505","","","0.1091","0.122","","","","","","1.026","","","","has coordinates","261761","2021-02-04","23:30:52",""
"7157807","9.73","0.002","20.98","0.004","11.45","0.002","90","","104.39","0.03","90","","2264","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O2 S -","- C28 H21 N O2 S -","- C112 H84 N4 O8 S4 -","4","1","","Kar, Abhishek; Chakraborty, Baitan; Kundal, Sandip; Rana, Gopal; Jana, Umasish","DDQ/FeCl<sub>3</sub>-mediated tandem oxidative carbon-carbon bond formation for the Synthesis of indole-fluorene hybrid molecules.","Organic & biomolecular chemistry","2021","19","4","906","910","10.1039/d0ob00413h","","","0.71073","MoKα","","0.1238","0.0543","","","0.1306","0.1701","","","","","","0.861","","","","has coordinates","262714","2021-03-05","02:24:39",""
"7157808","18.521","0.0004","18.521","0.0004","9.0228","0.0002","90","","90","","90","","3095.07","0.12","90","","90","","","","","","","","","5","I 41/a :2","-I 4ad","88","","2-Toluenesulfonamide","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C112 H144 N16 O32 S16 -","16","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.036","0.0324","","","0.0887","0.0915","","","","","","1.067","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157809","6.6299","0.0002","16.2473","0.0004","7.5792","0.0002","90","","91.6792","0.0011","90","","816.07","0.04","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Toluenesulfonamide","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C28 H36 N4 O8 S4 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0346","0.0311","","","0.0869","0.0893","","","","","","1.043","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157810","10.1687","0.0011","7.4132","0.0013","7.6623","0.0015","90","","100.344","0.005","90","","568.22","0.16","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-Phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0705","0.0483","","","0.1239","0.1347","","","","","","1.049","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157811","6.9213","0.0002","14.3941","0.0004","15.9579","0.0005","90","","90.6969","0.0014","90","","1589.7","0.08","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Toluenesulfonamide","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C56 H72 N8 O16 S8 -","8","2","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.057","0.0394","","","0.097","0.1051","","","","","","1.048","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157812","10.1116","0.0002","12.9234","0.0003","7.4954","0.0001","90","","90","","90","","979.47","0.03","90","","90","","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,2-Bis(methanesulfonyl)benzene","","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","- C32 H40 O16 S8 -","4","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0296","0.0279","","","0.0788","0.0801","","","","","","1.051","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157813","7.5162","0.0004","3.9503","0.0002","22.2292","0.0013","90","","93.257","0.003","90","","658.95","0.06","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C28 H16 Br4 N4 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0447","0.0343","","","0.086","0.0918","","","","","","1.058","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157814","17.8295","0.0005","6.9792","0.0002","7.9202","0.0002","90","","92.3238","0.0012","90","","984.74","0.05","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Bis(methanesulfonyl)benzene","","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","- C32 H40 O16 S8 -","4","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0379","0.0306","","","0.0779","0.0825","","","","","","1.058","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157815","8.3017","0.0002","5.8957","0.0001","22.7478","0.0005","90","","93.5648","0.001","90","","1111.22","0.04","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","2","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.051","0.04","","","0.1058","0.1125","","","","","","1.027","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157816","9.4437","0.0001","8.5227","0.0001","4.0482","0.0001","90","","91.2214","0.0001","90","","325.749","0.01","90","","90","","","","","","","","","4","C 1 m 1","C -2y","8","","4-Bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C14 H8 Br2 N2 -","2","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0209","0.0209","","","0.052","0.052","","","","","","1.083","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157817","5.3453","0.0001","6.6576","0.0001","6.9904","0.0001","86.1628","0.0001","88.9324","0.0001","82.6823","0.0001","246.174","0.007","90","","90","","","","","","","","","4","P -1","-P 1","2","","1,4-Bis(methaneslufonyl)benzene","","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","1","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.038","0.0312","","","0.0723","0.0754","","","","","","1.05","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157818","8.0887","0.0001","11.9923","0.0002","23.8075","0.0004","90","","90.9951","0.0006","90","","2309.03","0.06","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-Phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C96 H128 N32 -","16","4","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0532","0.0383","","","0.0958","0.1035","","","","","","1.032","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157819","3.891","0.0002","10.2919","0.0004","16.3686","0.0007","90","","94.963","0.002","90","","653.04","0.05","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C28 H16 Br4 N4 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0448","0.0405","","","0.1115","0.1141","","","","","","1.179","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157820","9.8262","0.0002","10.2492","0.0002","14.6317","0.0003","95.916","0.002","102.954","0.002","111.833","0.002","1304.44","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 N6 O4 -","- C54 H54 N6 O4 -","- C54 H54 N6 O4 -","1","0.5","","Prusty, Namrata; Kinthada, Lakshmana K.; Meena, Rohit; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Bismuth(iii)-catalyzed regioselective alkylation of tetrahydroquinolines and indolines towards the synthesis of bioactive core-biaryl oxindoles and CYP19 inhibitors.","Organic & biomolecular chemistry","2021","19","4","891","905","10.1039/d0ob02385j","","x-ray","1.54184","CuKα","","0.0376","0.036","","","0.0902","0.0912","","","","","","1.033","","","","has coordinates","262715","2021-03-05","02:25:00",""
"7157821","11.5475","0.0003","11.5869","0.0003","16.748","0.0003","86.787","0.002","70.29","0.002","89.647","0.002","2106.08","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H45 N3 O7 S2 -","- C44 H42 N2 O4 S2 -","- C88 H84 N4 O8 S4 -","2","1","","Prusty, Namrata; Kinthada, Lakshmana K.; Meena, Rohit; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Bismuth(iii)-catalyzed regioselective alkylation of tetrahydroquinolines and indolines towards the synthesis of bioactive core-biaryl oxindoles and CYP19 inhibitors.","Organic & biomolecular chemistry","2021","19","4","891","905","10.1039/d0ob02385j","","x-ray","1.54184","CuKα","","0.1033","0.0996","","","0.2653","0.2693","","","","","","1.032","","","","has coordinates","262715","2021-03-05","02:25:00",""
"7157822","18.0027","0.0003","17.5394","0.0003","7.634","0.0001","90","","91.611","0.0008","90","","2409.53","0.07","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O5 S -","- C27 H25 N O5 S -","- C108 H100 N4 O20 S4 -","4","1","","Chada, Raji Reddy; Kajare, Roshan Chandrakant; Bhandari, Mayur C.; Mohammed, Siddique Z.; Khatravath, Mahender; Warudikar, Kamalkishor; Punna, Nagender","Facile access to [1,2]-oxazine derivatives via annulations of aminoxy-tethered 1,7-enynes.","Organic & biomolecular chemistry","2021","19","4","809","821","10.1039/d0ob02279a","","","0.71073","MoKα","","0.0945","0.0574","","","0.1329","0.1492","","","","","","1.067","","","","has coordinates","262716","2021-03-05","02:25:13",""
"7157823","9.9992","0.0004","10.1775","0.0005","12.6396","0.0006","69.319","0.005","80.319","0.004","84.713","0.004","1185.52","0.1","291.43","0.1","291.43","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N3 O -","- C30 H25 N3 O -","- C60 H50 N6 O2 -","2","1","","De Abreu, Maxime; Tang, Yue; Brachet, Etienne; Selkti, Mohamed; Michelet, Véronique; Belmont, Philippe","Silver-catalyzed tandem cycloisomerization/hydroarylation reactions and mechanistic investigations for an efficient access to 1,2-dihydroisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1037","1046","10.1039/d0ob02197k","","x-ray","0.71073","MoKα","","0.0756","0.056","","","0.16","0.1738","","","","","","1.085","","","","has coordinates","262708","2021-03-05","02:23:38",""
"7157824","23.825","0.002","14.2553","0.0012","13.0345","0.0012","90","","112.464","0.003","90","","4091","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F3 N O4 S -","- C23 H18 F3 N O4 S -","- C184 H144 F24 N8 O32 S8 -","8","1","","De Abreu, Maxime; Tang, Yue; Brachet, Etienne; Selkti, Mohamed; Michelet, Véronique; Belmont, Philippe","Silver-catalyzed tandem cycloisomerization/hydroarylation reactions and mechanistic investigations for an efficient access to 1,2-dihydroisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1037","1046","10.1039/d0ob02197k","","","0.71073","MoKα","","0.1366","0.0516","","","0.0868","0.1072","","","","","","0.919","","","","has coordinates","262708","2021-03-05","02:23:38",""
"7157825","5.6716","0.0005","11.2488","0.0011","11.2777","0.001","71.977","0.004","78.405","0.004","83.669","0.004","669.34","0.11","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C34 H30 N2 O6 -","2","1","","Hu, Wangcheng; He, Xinwei; Zhou, Tongtong; Zuo, Youpeng; Zhang, Shiwen; Yang, Tingting; Shang, Yongjia","Construction of isoxazolone-fused phenanthridines <i>via</i> Rh-catalyzed cascade C-H activation/cyclization of 3-arylisoxazolones with cyclic 2-diazo-1,3-diketones.","Organic & biomolecular chemistry","2021","19","3","552","556","10.1039/d0ob02310h","","","0.71073","MoKα","","0.0588","0.0429","","","0.1052","0.1145","","","","","","1.036","","","","has coordinates","261767","2021-02-04","23:31:36",""
"7157826","8.4191","0.0002","10.2779","0.0002","11.5069","0.0003","71.584","0.001","72.713","0.001","72.084","0.001","876.57","0.04","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C40 H28 Cl4 O8 -","2","1","","Zhao, Bin; Xu, Bo","Visible-light promoted oxidative cyclization of cinnamic acid derivatives using xanthone as the photocatalyst.","Organic & biomolecular chemistry","2021","19","3","568","573","10.1039/d0ob02417a","","","1.34139","GaKα","","0.0423","0.0364","","","0.1","0.1056","","","","","","1.04","","","","has coordinates","261766","2021-02-04","23:31:31",""
"7157827","4.844","0.006","7.64","0.02","18.26","0.02","91","0.3","93.03","0.14","90.89","0.19","675","2","120","","120","","","","","","","","","4","P -1","-P 1","2","","(1R,5R,6R,7S,8aR)-6,7-dihydroxy-5-(hydroxymethyl)-1-pentylhexahydro-3H-oxazolo[3,4-a]pyridin-3-one","","- C13 H23 N O5 -","- C13 H23 N O5 -","- C26 H46 N2 O10 -","2","1","","Lumbroso, Alexandre; Berthonneau, Clément; Beaudet, Isabelle; Quintard, Jean-Paul; Planchat, Aurélien; García-Moreno, M Isabel; Ortiz Mellet, Carmen; Le Grognec, Erwan","A versatile stereocontrolled synthesis of 2-deoxyiminosugar C-glycosides and their evaluation as glycosidase inhibitors.","Organic & biomolecular chemistry","2021","19","5","1083","1099","10.1039/d0ob02249g","","x-ray","0.71069","MoKα","","0.0898","0.0593","","","0.1245","0.1397","","","","1.68","1.68","1.62","","","","has coordinates","262710","2021-03-05","02:23:50",""
"7157828","8.3","0.002","6.2591","0.0006","9.34","0.002","90","","108.02","0.02","90","","461.42","0.16","80","2","80","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C18 H22 N2 O10 -","2","1","","Lumbroso, Alexandre; Berthonneau, Clément; Beaudet, Isabelle; Quintard, Jean-Paul; Planchat, Aurélien; García-Moreno, M Isabel; Ortiz Mellet, Carmen; Le Grognec, Erwan","A versatile stereocontrolled synthesis of 2-deoxyiminosugar C-glycosides and their evaluation as glycosidase inhibitors.","Organic & biomolecular chemistry","2021","19","5","1083","1099","10.1039/d0ob02249g","","","0.71073","MoKα","","0.0378","0.0302","","","0.0742","0.076","","","","","","1.054","","","","has coordinates","262710","2021-03-05","02:23:51",""
"7157829","9.3481","0.0014","11.8624","0.0017","17.695","0.003","90","","100.756","0.004","90","","1927.7","0.5","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","","Paudyal, Mahesh P.; Wang, Mingliang; Siitonen, Juha H.; Hu, Yimin; Yousufuddin, Muhammed; Shen, Hong C.; Falck, John R.; Kürti, László","Intramolecular N-Me and N-H aminoetherification for the synthesis of <i>N</i>-unprotected 3-amino-O-heterocycles.","Organic & biomolecular chemistry","2021","19","3","557","560","10.1039/d0ob02122a","","","0.71073","MoKα","","0.0716","0.0491","","","0.1623","0.1804","","","","","","1.248","","","","has coordinates","261765","2021-02-04","23:31:26",""
"7157830","8.9919","0.0002","12.2777","0.0002","14.0831","0.0003","90","","90","","90","","1554.77","0.05","153","","153","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Chang, Zhiqian; Zhu, Huilong; Wu, Changhui; Xing, Junhao; Dou, Xiaowei","A rhodium-catalysed conjugate addition/cyclization cascade for the asymmetric synthesis of 2-amino-4H-chromenes.","Organic & biomolecular chemistry","2021","19","4","785","788","10.1039/d0ob02404j","","","1.54178","CuKα","","0.0355","0.0324","","","0.0807","0.0834","","","","","","1.087","","","","has coordinates","262713","2021-03-05","02:24:31",""
"7157831","7.9985","0.0006","10.3197","0.0006","22.414","0.0014","90","","93.464","0.002","90","","1846.7","0.2","273","2","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","Hygrophorone A12","","- C18 H32 O4 -","- C18 H32 O4 -","- C72 H128 O16 -","4","2","","Das, Sayani; Dalal, Anu; Gholap, Shivajirao L.","Stereoselective total syntheses of (-)-hygrophorone A<sup>12</sup>, 4-<i>O</i>-acetyl-hygrophorone A<sup>12</sup> and (+)-hygrophorone B<sup>12</sup>.","Organic & biomolecular chemistry","2021","19","5","1100","1108","10.1039/d0ob02303e","","","0.71073","MoKα","","0.0862","0.0501","","","0.1023","0.1169","","","","","","1.025","","","","has coordinates","262706","2021-03-05","02:23:26",""
"7157832","9.8242","0.0001","13.6944","0.0002","17.0549","0.0003","83.081","0.001","83.318","0.001","79.105","0.001","2226.41","0.06","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H43 Cl3 N2 O6 -","- C53 H43 Cl3 N2 O6 -","- C106 H86 Cl6 N4 O12 -","2","1","","Hsueh, Nai-Chen; Chen, Shin-Mei; Lin, Chun-Yi; Chang, Meng-Yang","HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1047","1059","10.1039/d0ob02431g","","x-ray","0.71073","MoKα","","0.077","0.0634","","","0.1779","0.1861","","","","","","1.048","","","","has coordinates,has disorder","262711","2021-03-05","02:24:19",""
"7157833","10.5325","0.0002","8.1523","0.0002","19.8965","0.0004","90","","94.68","0.002","90","","1702.7","0.06","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O6 -","- C19 H18 N2 O6 -","- C76 H72 N8 O24 -","4","1","","Hsueh, Nai-Chen; Chen, Shin-Mei; Lin, Chun-Yi; Chang, Meng-Yang","HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1047","1059","10.1039/d0ob02431g","","x-ray","0.71073","MoKα","","0.044","0.0353","","","0.0893","0.0939","","","","","","1.063","","","","has coordinates","262711","2021-03-05","02:24:19",""
"7157834","8.6565","0.0002","9.9527","0.0002","20.7506","0.0005","90","","96.235","0.002","90","","1777.2","0.07","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C80 H84 N4 O20 -","4","1","","Hsueh, Nai-Chen; Chen, Shin-Mei; Lin, Chun-Yi; Chang, Meng-Yang","HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1047","1059","10.1039/d0ob02431g","","x-ray","0.71073","MoKα","","0.0728","0.0636","","","0.1507","0.155","","","","","","1.109","","","","has coordinates","262711","2021-03-05","02:24:19",""
"7157835","12.14946","0.00015","6.86531","0.00007","15.15149","0.00018","90","","108.158","0.0013","90","","1200.85","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Yang, Jian; Wang, Bei; Zhang, Yuankang; Zhang, Shuqing; He, Shuai; Shi, Zhi-Chuan; Wang, Ji-Yu","Copper-catalyzed one-pot amine-alkylation of quinones with amines and alkanes.","Organic & biomolecular chemistry","2021","19","5","988","992","10.1039/d0ob02514c","","x-ray","1.54184","CuKα","","0.0316","0.0311","","","0.0843","0.0849","","","","","","1.026","","","","has coordinates","262712","2021-03-05","02:24:26",""
"7157836","9.9597","0.001","15.095","0.0012","12.0193","0.0012","90","","108.577","0.011","90","","1712.9","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Yang, Jian; Wang, Bei; Zhang, Yuankang; Zhang, Shuqing; He, Shuai; Shi, Zhi-Chuan; Wang, Ji-Yu","Copper-catalyzed one-pot amine-alkylation of quinones with amines and alkanes.","Organic & biomolecular chemistry","2021","19","5","988","992","10.1039/d0ob02514c","","x-ray","0.71073","MoKα","","0.0618","0.0486","","","0.1134","0.121","","","","","","1.066","","","","has coordinates","262712","2021-03-05","02:24:26",""
"7157837","4.9355","0.0004","9.9998","0.0008","44.492","0.003","90","","90","","90","","2195.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O5 -","- C24 H25 Br N2 O5 -","- C96 H100 Br4 N8 O20 -","4","1","","Marshall, James W.; de Mattos-Shipley, Kate M J; Ghannam, Iman A. Y.; Munawar, Asifa; Killen, Jonathan C.; Lazarus, Colin M.; Cox, Russell J.; Willis, Christine L.; Simpson, Thomas J.","Fusarochromene, a novel tryptophan-derived metabolite from <i>Fusarium sacchari</i>.","Organic & biomolecular chemistry","2021","19","1","182","187","10.1039/d0ob02031a","","","1.54178","CuKα","","0.0495","0.0487","","","0.1216","0.122","","","","","","1.229","","","","has coordinates","260678","2021-01-07","04:51:02",""
"7157838","6.2936","0.0003","14.1248","0.0007","23.296","0.0009","90","","90","","90","","2070.92","0.16","293.9","0.3","293.9","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br F3 N2 O2 -","- C22 H18 Br F3 N2 O2 -","- C88 H72 Br4 F12 N8 O8 -","4","1","","Gao, Yang; Song, Xue; Yan, Ru-Jie; Du, Wei; Chen, Ying-Chun","Asymmetric β,γ'-regioselective [4 + 3] and [4 + 2] annulations of α-vinylenals <i>via</i> cascade iminium ion-dienamine catalysis.","Organic & biomolecular chemistry","2021","19","1","151","155","10.1039/d0ob02068k","","x-ray","1.54184","CuKα","","0.0674","0.0634","","","0.1675","0.1749","","","","","","1.056","","","","has coordinates","260682","2021-01-07","04:52:03",""
"7157839","8.1897","0.0003","12.2546","0.0005","10.5538","0.0004","90","","90.193","0.003","90","","1059.19","0.07","295.1","0.4","295.1","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C48 H40 N4 O4 S2 -","2","1","","Gao, Yang; Song, Xue; Yan, Ru-Jie; Du, Wei; Chen, Ying-Chun","Asymmetric β,γ'-regioselective [4 + 3] and [4 + 2] annulations of α-vinylenals <i>via</i> cascade iminium ion-dienamine catalysis.","Organic & biomolecular chemistry","2021","19","1","151","155","10.1039/d0ob02068k","","x-ray","1.54184","CuKα","","0.0531","0.0492","","","0.1245","0.1319","","","","","","1.033","","","","has coordinates","260682","2021-01-07","04:52:03",""
"7157840","4.954","0.003","20.606","0.013","16.56","0.01","90","","91.728","0.015","90","","1689.7","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Malasala, Satyaveni; Polomoni, Anusha; Chelli, Sai Manohar; Kar, Swayamsidda; Madhavi, Y. V.; Nanduri, Srinivas","A microwave-assisted copper-mediated tandem approach for fused quinazoline derivatives.","Organic & biomolecular chemistry","2021","19","8","1854","1859","10.1039/d0ob02312d","","","0.71073","MoKα","","0.0813","0.0558","","","0.1396","0.1559","","","","","","1.055","","","","has coordinates","263832","2021-04-05","15:16:25",""
"7157841","12.2034","0.0004","8.3948","0.0003","19.2731","0.0006","90","","91.4","0.003","90","","1973.85","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl N O2 -","- C24 H20 Cl N O2 -","- C96 H80 Cl4 N4 O8 -","4","1","","P, Rajesh; Almansour, Abdulrahman I.; Arumugam, Natarajan; Yaragorla, Srinivasarao","Calcium-catalyzed formal [3 + 2] annulation of <i>C</i>,<i>N</i>-diacyliminium ions with nucleophilic phenols: a diversity oriented synthesis of 3-aminofurans.","Organic & biomolecular chemistry","2021","19","5","1060","1065","10.1039/d0ob02276d","","","0.71073","MoKα","","0.0665","0.0436","","","0.1113","0.1254","","","","","","1.067","","","","has coordinates","262707","2021-03-05","02:23:32",""
"7157842","10.235","0.002","10.235","0.002","23.295","0.012","90","","90","","90","","2440.3","1.4","296","2","296","2","","","","","","","","6","P 41","P 4w","76","","","","- C26 H18 Br N3 O2 S -","- C26 H18 Br N3 O2 S -","- C104 H72 Br4 N12 O8 S4 -","4","1","","Wang, Wenyao; Wei, Shiqiang; Bao, Xiaoze; Nawaz, Shah; Qu, Jingping; Wang, Baomin","Enantioselective [3 + 2] annulation of 4-isothiocyanato pyrazolones and alkynyl ketones under organocatalysis.","Organic & biomolecular chemistry","2021","19","5","1145","1154","10.1039/d0ob02423f","","","0.71073","MoKα","","0.0987","0.0488","","","0.1038","0.1213","","","","","","0.951","","","","has coordinates","262705","2021-03-05","02:23:20",""
"7157843","8.9714","0.0015","6.6608","0.0007","19.405","0.003","90","","98.551","0.015","90","","1146.7","0.3","114","1","114","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O -","- C15 H16 O -","- C60 H64 O4 -","4","1","","Samser, Shaikh; Biswal, Priyabrata; Meher, Sushanta Kumar; Venkatasubbaiah, Krishnan","Palladium mediated one-pot synthesis of 3-aryl-cyclohexenones and 1,5-diketones from allyl alcohols and aryl ketones.","Organic & biomolecular chemistry","2021","19","6","1386","1394","10.1039/d0ob02515a","","x-ray","1.54184","CuKα","","0.1201","0.1022","","","0.2919","0.319","","","","","","1.28","","","","has coordinates","262719","2021-03-05","02:25:51",""
"7157844","8.3267","0.0018","8.7156","0.0019","16.902","0.004","97.684","0.003","91.3","0.002","94.942","0.002","1210.4","0.5","182","2","181.65","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N2 O4 S -","- C29 H24 N2 O4 S -","- C58 H48 N4 O8 S2 -","2","1","","Wang, Hai-Qing; Ma, Wenjing; Sun, Ao; Sun, Xin-Yue; Jiang, Chao; Zhang, Yu-Chen; Shi, Feng","(4 + 2) cyclization of aza-<i>o</i>-quinone methides with azlactones: construction of biologically important dihydroquinolinone frameworks.","Organic & biomolecular chemistry","2021","19","6","1334","1343","10.1039/d0ob02388d","","","0.71073","MoKα","","0.063","0.048","","","0.1196","0.1288","","","","","","1.029","","","","has coordinates","262717","2021-03-05","02:25:29",""
"7157845","10.1798","0.0002","10.3113","0.0002","12.4879","0.0003","112.371","0.002","101.901","0.002","101.004","0.002","1132.33","0.05","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H26 N2 O3 S Si -","- C23 H26 N2 O3 S Si -","- C46 H52 N4 O6 S2 Si2 -","2","1","","Tsuda, Masato; Morita, Taiki; Fukuhara, Shintaro; Nakamura, Hiroyuki","Synthesis of 4-amino-5-allenylisoxazoles <i>via</i> gold(I)-catalysed propargyl aza-Claisen rearrangement.","Organic & biomolecular chemistry","2021","19","6","1358","1364","10.1039/d0ob02544e","","x-ray","1.54184","CuKα","","0.0457","0.0426","","","0.115","0.1175","","","","","","1.085","","","","has coordinates","262720","2021-03-05","02:25:59",""
"7157846","6.1764","0.0002","22.3986","0.0006","16.9215","0.0005","90","","94.563","0.001","90","","2333.55","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","2","","Chen, Yan-Ni; Ding, Xiao; Li, Dong-Mei; Sun, Mao; Yang, Lei; Zhang, Yu; Di, Ying-Tong; Fang, Xin; Hao, Xiao-Jiang","Diterpenoids with an unprecedented ring system from <i>Euphorbia peplus</i> and their activities in the lysosomal-autophagy pathway.","Organic & biomolecular chemistry","2021","19","7","1541","1545","10.1039/d0ob02414g","","","1.54178","CuKα","","0.0288","0.0285","","","0.0709","0.0711","","","","","","1.034","","","","has coordinates,has disorder","262723","2021-03-05","02:26:19",""
"7157847","9.65728","0.00015","15.7878","0.0003","31.1416","0.0004","90","","93.2577","0.0014","90","","4740.4","0.13","110","0.4","110","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-benzyl-5,8-diaza-1-thiacycloicosane-4,7,20-trione","","- C24 H36 N2 O3 S -","- C24 H36 N2 O3 S -","- C192 H288 N16 O24 S8 -","8","2","","Palate, Kleopas Y.; Epton, Ryan G.; Whitwood, Adrian C.; Lynam, Jason M.; Unsworth, William P.","Synthesis of macrocyclic and medium-sized ring thiolactones <i>via</i> the ring expansion of lactams.","Organic & biomolecular chemistry","2021","19","6","1404","1411","10.1039/d0ob02502j","","x-ray","1.54184","CuKα","","0.0527","0.0416","","","0.0983","0.1049","","","","","","1.019","","","","has coordinates,has disorder","262718","2021-03-05","02:25:43",""
"7157848","9.1158","0.0002","9.9322","0.0003","34.9595","0.0009","90","","92.94","0.002","90","","3161.07","0.14","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-thia-5-azacycloheptadecane-4,17-dione","","- C15 H27 N O2 S -","- C15 H27 N O2 S -","- C120 H216 N8 O16 S8 -","8","2","","Palate, Kleopas Y.; Epton, Ryan G.; Whitwood, Adrian C.; Lynam, Jason M.; Unsworth, William P.","Synthesis of macrocyclic and medium-sized ring thiolactones <i>via</i> the ring expansion of lactams.","Organic & biomolecular chemistry","2021","19","6","1404","1411","10.1039/d0ob02502j","","x-ray","1.54184","CuKα","","0.0478","0.0442","","","0.1164","0.1172","","","","","","1.235","","","","has coordinates","262718","2021-03-05","02:25:46",""
"7157849","8.0303","0.0001","9.6259","0.0002","27.807","0.0006","90","","90","","90","","2149.45","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-thia-5-azacyclododecane-4,12-dione","","- C10 H17 N O2 S -","- C10 H17 N O2 S -","- C80 H136 N8 O16 S8 -","8","1","","Palate, Kleopas Y.; Epton, Ryan G.; Whitwood, Adrian C.; Lynam, Jason M.; Unsworth, William P.","Synthesis of macrocyclic and medium-sized ring thiolactones <i>via</i> the ring expansion of lactams.","Organic & biomolecular chemistry","2021","19","6","1404","1411","10.1039/d0ob02502j","","x-ray","1.54184","CuKα","","0.0323","0.0284","","","0.0709","0.0737","","","","","","1.037","","","","has coordinates","262718","2021-03-05","02:25:46",""
"7157850","4.7659","0.0003","12.6787","0.0007","11.0168","0.0006","90","","95.803","0.002","90","","662.28","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","1","","Dong, Sanfeng; Zhao, Yitian; Shi, Yulong; Xu, Zhijian; Shen, Jingshan; Jia, Qi; Li, Yiming; Chen, Kaixian; Li, Bo; Zhu, Weiliang","One step stereoselective synthesis of oxazoline-fused saccharides and their conversion into the corresponding 1,2-<i>cis</i> glycosylamines bearing various protected groups.","Organic & biomolecular chemistry","2021","19","7","1580","1588","10.1039/d0ob02477e","","","1.54184","CuKα","","0.0293","0.0279","","","0.0652","0.0663","","","","","","1.042","","","","has coordinates","262722","2021-03-05","02:26:12",""
"7157851","10.0294","0.0004","10.8154","0.0006","19.2909","0.0009","90","","90","","90","","2092.52","0.17","292.9","0.1","292.9","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br O4 -","- C25 H21 Br O4 -","- C100 H84 Br4 O16 -","4","1","","Xu, Yan-Li; Qin, Zhou-Zhou; Wang, Yu-Xia; Zhao, Peng-Fei; Li, Hong-Feng; Du, Zhi-Hong; Da, Chao-Shan","Highly enantioselective one-pot sequential synthesis of valerolactones and pyrazolones bearing all-carbon quaternary stereocentres.","Organic & biomolecular chemistry","2021","19","7","1610","1615","10.1039/d0ob02489a","","x-ray","0.71073","MoKα","","0.074","0.0486","","","0.0865","0.0975","","","","","","1.038","","","","has coordinates","262725","2021-03-05","02:26:38",""
"7157852","7.0441","0.00019","16.2447","0.0004","18.72","0.0005","90","","90","","90","","2142.12","0.1","293.44","0.1","293.44","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Cl N2 O3 -","- C25 H23 Cl N2 O3 -","- C100 H92 Cl4 N8 O12 -","4","1","","Xu, Yan-Li; Qin, Zhou-Zhou; Wang, Yu-Xia; Zhao, Peng-Fei; Li, Hong-Feng; Du, Zhi-Hong; Da, Chao-Shan","Highly enantioselective one-pot sequential synthesis of valerolactones and pyrazolones bearing all-carbon quaternary stereocentres.","Organic & biomolecular chemistry","2021","19","7","1610","1615","10.1039/d0ob02489a","","x-ray","1.54184","CuKα","","0.0496","0.0416","","","0.0957","0.1031","","","","","","1.038","","","","has coordinates","262725","2021-03-05","02:26:38",""
"7157853","8.431","0.0005","10.6418","0.0011","11.6712","0.0014","115.047","0.011","104.819","0.008","94.55","0.007","895.84","0.19","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 O3 S -","- C23 H18 O3 S -","- C46 H36 O6 S2 -","2","1","","Xie, Wucheng; Jian, Xinyi; Zhang, Liyang; Jin, Kexin; Shi, Junjun; Zhu, Feng","Synthesis of C3-sulfone substituted naphthols <i>via</i> rhodium(III)-catalyzed annulation of sulfoxonium ylides with alkynylsulfones.","Organic & biomolecular chemistry","2021","19","7","1498","1502","10.1039/d0ob02267e","","x-ray","0.71073","MoKα","","0.0935","0.0743","","","0.1566","0.1803","","","","","","1.099","","","","has coordinates","262726","2021-03-05","02:26:43",""
"7157854","8.1695","0.0006","11.1838","0.0009","12.1869","0.001","116.288","0.008","102.125","0.007","97.876","0.006","941.83","0.16","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 O3 S -","- C24 H20 O3 S -","- C48 H40 O6 S2 -","2","1","","Xie, Wucheng; Jian, Xinyi; Zhang, Liyang; Jin, Kexin; Shi, Junjun; Zhu, Feng","Synthesis of C3-sulfone substituted naphthols <i>via</i> rhodium(III)-catalyzed annulation of sulfoxonium ylides with alkynylsulfones.","Organic & biomolecular chemistry","2021","19","7","1498","1502","10.1039/d0ob02267e","","x-ray","0.71073","MoKα","","0.0546","0.0441","","","0.1087","0.1163","","","","","","1.042","","","","has coordinates","262726","2021-03-05","02:26:43",""
"7157855","10.234","0.003","14.235","0.005","30.529","0.012","90","","90","","90","","4447","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Cl N2 O3 -","- C26 H23 Cl N2 O3 -","- C208 H184 Cl8 N16 O24 -","8","2","","Guo, Xing; Chen, Xuling; Cheng, Yuyu; Chang, Xiaoyong; Li, Xuechen; Li, Pengfei","Organocatalytic enantioselective [2 + 4]-annulation of γ-substituted allenoates with <i>N</i>-acyldiazenes for the synthesis of optically active 1,3,4-oxadiazines.","Organic & biomolecular chemistry","2021","19","8","1727","1731","10.1039/d0ob02508a","","x-ray","0.71073","MoKα","","0.0554","0.0427","","","0.0901","0.0958","","","","","","1.02","","","","has coordinates","263831","2021-04-05","15:16:10",""
"7157856","10.6498","0.0004","10.95","0.0004","21.8176","0.0008","90","","104.078","0.002","90","","2467.85","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O3 -","- C30 H34 N2 O3 -","- C120 H136 N8 O12 -","4","1","","Guo, Xing; Chen, Xuling; Cheng, Yuyu; Chang, Xiaoyong; Li, Xuechen; Li, Pengfei","Organocatalytic enantioselective [2 + 4]-annulation of γ-substituted allenoates with <i>N</i>-acyldiazenes for the synthesis of optically active 1,3,4-oxadiazines.","Organic & biomolecular chemistry","2021","19","8","1727","1731","10.1039/d0ob02508a","","x-ray","1.54178","CuKα","","0.0389","0.0359","","","0.0848","0.0864","","","","","","1.03","","","","has coordinates","263831","2021-04-05","15:16:19",""
"7157857","10.479","0.006","11.171","0.005","12.25","0.006","64.87","0.05","73.59","0.06","66.24","0.05","1177.4","1.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Br N3 O2 S -","- C26 H18 Br N3 O2 S -","- C52 H36 Br2 N6 O4 S2 -","2","1","","Babu, Sheba Ann; A R, Rajalekshmi; P R, Nitha; Omanakuttan, Vishnu K.; P, Rahul; Varughese, Sunil; John, Jubi","Unprecedented access to functionalized pyrrolo[2,1-<i>a</i>]isoquinolines from the domino reaction of isoquinolinium ylides and electrophilic benzannulated heterocycles.","Organic & biomolecular chemistry","2021","19","8","1807","1817","10.1039/d1ob00005e","","","0.71073","MoKα","","0.1614","0.0729","","","0.1374","0.1722","","","","","","1.07","","","","has coordinates,has disorder","263827","2021-04-05","15:15:22",""
"7157858","15.23","0.009","14.373","0.008","18.32","0.011","90","","106.462","0.015","90","","3846","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 N2 O2 S2 -","- C50 H32 N2 O2 S2 -","- C200 H128 N8 O8 S8 -","4","1","","Babu, Sheba Ann; A R, Rajalekshmi; P R, Nitha; Omanakuttan, Vishnu K.; P, Rahul; Varughese, Sunil; John, Jubi","Unprecedented access to functionalized pyrrolo[2,1-<i>a</i>]isoquinolines from the domino reaction of isoquinolinium ylides and electrophilic benzannulated heterocycles.","Organic & biomolecular chemistry","2021","19","8","1807","1817","10.1039/d1ob00005e","","","0.71073","MoKα","","0.2278","0.0669","","","0.1278","0.1889","","","","","","0.987","","","","has coordinates","263827","2021-04-05","15:15:22",""
"7157859","11.1078","0.0007","14.2349","0.0009","14.7424","0.001","63.737","0.006","72.36","0.006","82.226","0.005","1992.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 F14 O14 S14 -","- C54 H33 F3 S3 -","- C108 H66 F6 S6 -","2","1","","Zhang, Yuan; Lai, Weiping; Zhang, Lianpeng; Gao, Xiaoxing; Qiu, Guanyinsheng; Zhou, Hongwei","The copper-catalyzed synthesis of (<i>Z</i>)-2<i>H</i>-naphtho[1,8-<i>bc</i>]thiophenes with solid emission.","Organic & biomolecular chemistry","2021","19","8","1827","1834","10.1039/d0ob02233k","","x-ray","0.71073","MoKα","","0.1103","0.0676","","","0.1703","0.2023","","","","","","1.027","","","","has coordinates","263828","2021-04-05","15:15:27",""
"7157860","7.84","0.0004","11.8374","0.0006","11.9176","0.0006","111.955","0.002","97.653","0.002","98.734","0.002","991.91","0.09","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","Compound-3f","2-Chloro-8-methoxy-6'-(trifluoromethyl)-6H-spiro[dibenzo[b,e]oxepine-11,3'-indolin]-2'-one","","- C23 H15 Cl F3 N O3 -","- C23 H15 Cl F3 N O3 -","- C46 H30 Cl2 F6 N2 O6 -","2","1","","Samikannu, Ramesh; Sethuraman, Sankaranarayanan; Akula, Nagaraja; Radhakrishnan, Vignesh; Kamisetti, Srinivasarao; Banu, Shabana; Vetrichelvan, Muthalagu; Gupta, Anuradha; Li, Jianqing; Rampulla, Richard; Mathur, Arvind","Solvent-specific, DAST-mediated intramolecular Friedel-Crafts reaction: access to dibenzoxepine-fused spirooxindoles.","Organic & biomolecular chemistry","2021","19","8","1760","1768","10.1039/d0ob02461a","","x-ray","1.54178","CuKα","","0.0452","0.0437","","","0.1213","0.1233","","","","","","1.096","","","","has coordinates","263829","2021-04-05","15:15:49",""
"7157861","10.3275","0.0007","14.0098","0.0009","15.4589","0.0011","90.549","0.002","108.062","0.002","101.778","0.002","2075.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","ORGANIC","","","- C28 H20 O3 -","- C28 H20 O3 -","- C112 H80 O12 -","4","2","","Muthusamy, Sengodagounder; Malarvizhi, Muthukumar; Suresh, Eringathodi","Catalyst-free synthesis of 3,1-benzoxathiin-4-ones/1,3-benzodioxin-4-ones.","Organic & biomolecular chemistry","2021","19","7","1508","1513","10.1039/d0ob02543g","","","0.71073","Mokα","","0.086","0.0588","","","0.1461","0.1675","","","","","","1.039","","","","has coordinates","262724","2021-03-05","02:26:28",""
"7157862","10.2296","0.0014","15.605","0.002","14.042","0.002","90","","93.949","0.002","90","","2236.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 F2 O2 S -","- C28 H18 F2 O2 S -","- C112 H72 F8 O8 S4 -","4","1","","Muthusamy, Sengodagounder; Malarvizhi, Muthukumar; Suresh, Eringathodi","Catalyst-free synthesis of 3,1-benzoxathiin-4-ones/1,3-benzodioxin-4-ones.","Organic & biomolecular chemistry","2021","19","7","1508","1513","10.1039/d0ob02543g","","","0.71073","MoKα","","0.0577","0.0506","","","0.1346","0.1423","","","","","","1.026","","","","has coordinates","262724","2021-03-05","02:26:30",""
"7157863","12.4218","0.00014","12.4218","0.00014","9.8189","0.0002","90","","90","","90","","1515.07","0.04","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C76 H52 N4 O20 -","4","1","","Kostenko, Alexey A.; Bykova, Kseniya A.; Kucherenko, Alexander S.; Komogortsev, Andrey N.; Lichitsky, Boris V.; Zlotin, Sergei G.","2-Nitroallyl carbonate-based green bifunctional reagents for catalytic asymmetric annulation reactions.","Organic & biomolecular chemistry","2021","19","8","1780","1786","10.1039/d0ob02283g","","","0.71073","MoKα","","0.0222","0.0205","","","0.0526","0.0541","","","","","","1.048","","","","has coordinates","263830","2021-04-05","15:16:01",""
"7157864","13.1376","0.0012","14.5412","0.0013","15.0949","0.0014","90","","102.733","0.002","90","","2812.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","2","","Gao, Weiwei; Wang, Xiaodong; Yao, Linbin; Tang, Bencan; Mu, Guohao; Shi, Tao; Wang, Zhen","Synthesis of an isomer of lycoplanine A <i>via</i> cascade cyclization to construct the spiro-N,O-acetal moiety.","Organic & biomolecular chemistry","2021","19","8","1748","1751","10.1039/d0ob02399j","","","0.71073","MoKα","","0.0705","0.0448","","","0.1308","0.1553","","","","","","1.001","","","","has coordinates","263825","2021-04-05","15:15:10",""
"7157865","8.2965","0.0001","8.9484","0.0002","34.1519","0.0006","90","","90","","90","","2535.45","0.08","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N2 O3 -","- C27 H36 N2 O3 -","- C108 H144 N8 O12 -","4","1","","Kimura, Yuto; Uraguchi, Daisuke; Ooi, Takashi","Catalytic asymmetric synthesis of 5-membered alicyclic α-quaternary β-amino acids <i>via</i> [3 + 2]-photocycloaddition of α-substituted acrylates.","Organic & biomolecular chemistry","2021","19","8","1744","1747","10.1039/d1ob00126d","","","1.54187","CuKα","","0.0305","0.0301","","","0.0797","0.08","","","","","","1.058","","","","has coordinates","263826","2021-04-05","15:15:16",""
"7157866","7.2529","0.0003","12.9297","0.0005","13.0243","0.0005","85.469","0.003","82.621","0.003","73.765","0.003","1161.78","0.08","99.99","0.13","99.99","0.13","","","","","","","","4","P -1","-P 1","2","","methyl 5-amino-4-cyano-3-phenyl-1H-pyrrole-2-carboxylate","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","2","","Agafonova, Anastasiya V.; Funt, Liya D.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","An isoxazole strategy for the synthesis of alkyl 5-amino-4-cyano-1<i>H</i>-pyrrole-2-carboxylates - versatile building blocks for assembling pyrrolo-fused heterocycles.","Organic & biomolecular chemistry","2021","19","9","1976","1984","10.1039/d1ob00053e","","x-ray","1.54184","CuKα","","0.0385","0.0341","","","0.0881","0.092","","","","","","1.019","","","","has coordinates","263835","2021-04-05","15:16:51",""
"7157867","9.0455","0.0005","12.1947","0.0006","13.2917","0.0007","101.367","0.004","90.571","0.004","109.919","0.005","1346.68","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N2 O2 Se -","- C15 H14 N2 O2 Se -","- C60 H56 N8 O8 Se4 -","4","2","","Kumar, Manish; Chhillar, Babli; Yadav, Manisha; Sagar, Poonam; Singhal, Nitin K.; Gates, Paul J.; Butcher, Ray J.; Singh, Vijay P.","Catalytic and highly regenerable aminic organoselenium antioxidants with cytoprotective effects.","Organic & biomolecular chemistry","2021","19","9","2015","2022","10.1039/d0ob02368j","","","0.71073","MoKα","","0.1014","0.0888","","","0.2418","0.2492","","","","","","1.062","","","","has coordinates","263840","2021-04-05","15:18:17",""
"7157868","8.9364","0.0003","10.9906","0.0003","12.2832","0.0003","74.382","0.002","74.161","0.003","69.175","0.003","1064.71","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2-(benzylamino)-5-((4-methoxyphenyl)thio)-4-phenylnicotinonitrile","","- C26 H21 N3 O S -","- C26 H21 N3 O S -","- C52 H42 N6 O2 S2 -","2","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0391","0.039","","","0.1043","0.1044","","","","","","1.035","","","","has coordinates","263839","2021-04-05","15:17:29",""
"7157869","5.8187","0.0002","23.8383","0.0006","13.7274","0.0003","90","","97.246","0.002","90","","1888.89","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(benzylamino)-4,5-diphenylnicotinonitrile","","- C25 H19 N3 -","- C25 H19 N3 -","- C100 H76 N12 -","4","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0536","0.0507","","","0.1488","0.152","","","","","","1.116","","","","has coordinates","263839","2021-04-05","15:17:39",""
"7157870","11.3651","0.0002","11.1837","0.0002","23.1292","0.0004","90","","90","","90","","2939.81","0.09","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2'-(benzylamino)-[3,4'-bipyridine]-3'-carbonitrile","","- C18 H14 N4 -","- C18 H14 N4 -","- C144 H112 N32 -","8","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0432","0.042","","","0.1121","0.1133","","","","","","1.027","","","","has coordinates","263839","2021-04-05","15:17:43",""
"7157871","7.6769","0.0002","12.7598","0.0004","13.4914","0.0003","77.32","0.002","82.364","0.002","74.894","0.003","1240.75","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","2-(benzylamino)-5-chloro-4-methylnicotinonitrile","","- C28 H24 Cl2 N6 -","- C28 H24 Cl2 N6 -","- C56 H48 Cl4 N12 -","2","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0398","0.0385","","","0.104","0.1053","","","","","","1.024","","","","has coordinates","263839","2021-04-05","15:17:55",""
"7157872","5.3363","0.0001","11.5026","0.0002","25.9164","0.0005","94.122","0.002","94.41","0.002","102.197","0.002","1543.92","0.05","99.96","0.12","99.96","0.12","","","","","","","","5","P -1","-P 1","2","","2-(benzylamino)-4-methyl-5-((2,2,2-trifluoroethyl)thio)nicotinonitrile","","- C16 H14 F3 N3 S -","- C16 H14 F3 N3 S -","- C64 H56 F12 N12 S4 -","4","2","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0621","0.0605","","","0.166","0.1684","","","","","","1.021","","","","has coordinates","263839","2021-04-05","15:17:58",""
"7157873","14.1835","0.0002","24.2903","0.0004","6.0587","0.0001","90","","92.304","0.001","90","","2085.66","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-((4-methoxyphenyl)thio)-4-(4-nitrophenyl)-2-(propylamino)nicotinonitrile","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0405","0.038","","","0.1059","0.1077","","","","","","1.075","","","","has coordinates","263839","2021-04-05","15:18:08",""
"7157874","8.9145","0.0007","9.9325","0.0008","10.1186","0.0008","87.116","0.006","69.183","0.007","70.272","0.007","785.82","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C36 H32 Br2 N2 O4 -","2","1","","Wang, Yu-Chao; Huang, Keke; Lai, Xiaojing; Shi, Zhongning; Liu, Jin-Biao; Qiu, Guanyinsheng","Radical bromination-induced <i>ipso</i> cyclization-<i>ortho</i> cyclization sequence of <i>N</i>-hydroxylethyl-<i>N</i>-arylpropiolamides.","Organic & biomolecular chemistry","2021","19","9","1940","1944","10.1039/d1ob00010a","","","0.71073","MoKα","","0.1027","0.0644","","","0.1384","0.158","","","","","","1.082","","","","has coordinates","263834","2021-04-05","15:16:45",""
"7157875","10.6472","0.0002","32.4978","0.0006","11.2031","0.0002","90","","100.67","0.002","90","","3809.37","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C152 H184 N8 O24 S8 -","8","2","","Gao, Erhui; Peng, Cheng; Zhang, Jingyi; Wang, Xiao-Na; Chang, Junbiao","Metal-free hydroalkoxylation of ynesulfonamides with esters.","Organic & biomolecular chemistry","2021","19","10","2182","2185","10.1039/d0ob02575e","","x-ray","1.54184","CuKα","","0.0629","0.0489","","","0.1388","0.155","","","","","","1.02","","","","has coordinates","263823","2021-04-05","15:14:54",""
"7157876","12.8604","0.00016","17.5424","0.0003","28.9789","0.0004","90","","90","","90","","6537.71","0.17","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H36 N2 O5 S2 -","- C34 H36 N2 O5 S2 -","- C272 H288 N16 O40 S16 -","8","1","","Gao, Erhui; Peng, Cheng; Zhang, Jingyi; Wang, Xiao-Na; Chang, Junbiao","Metal-free hydroalkoxylation of ynesulfonamides with esters.","Organic & biomolecular chemistry","2021","19","10","2182","2185","10.1039/d0ob02575e","","","1.54184","CuKα","","0.0594","0.0483","","","0.1315","0.1424","","","","","","1.054","","","","has coordinates","263823","2021-04-05","15:14:54",""
"7157877","27.115","0.0007","11.5861","0.0003","18.6719","0.0005","90","","105.101","0.001","90","","5663.3","0.3","193","2","193.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H22 B F2 N5 O -","- C37 H22 B F2 N5 O -","- C296 H176 B8 F16 N40 O8 -","8","1","","Liu, Hui; Xue, Jiaying; Wang, Sisi; Wu, Fan; Zhao, Yue; Shen, Zhen","Thermal switches between delayed fluorescence and persistent phosphorescence based on a keto-BODIPY electron acceptor.","Organic & biomolecular chemistry","2021","19","9","2030","2037","10.1039/d0ob02390f","","","1.34139","GaKα","","0.0579","0.0399","","","0.092","0.1016","","","","","","1.035","","","","has coordinates","263837","2021-04-05","15:17:07",""
"7157878","8.939","0.008","9.493","0.008","17.408","0.016","88.857","0.013","84.196","0.014","88.477","0.012","1469","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H22 B F2 N5 O -","- C39 H22 B F2 N5 O -","- C78 H44 B2 F4 N10 O2 -","2","1","","Liu, Hui; Xue, Jiaying; Wang, Sisi; Wu, Fan; Zhao, Yue; Shen, Zhen","Thermal switches between delayed fluorescence and persistent phosphorescence based on a keto-BODIPY electron acceptor.","Organic & biomolecular chemistry","2021","19","9","2030","2037","10.1039/d0ob02390f","","","0.71073","MoKα","","0.1448","0.0621","","","0.1534","0.2032","","","","","","0.957","","","","has coordinates","263837","2021-04-05","15:17:07",""
"7157879","11.427","0.001","10.282","0.0009","13.6992","0.0012","90","","99.468","0.003","90","","1587.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 B O2 S -","- C18 H19 B O2 S -","- C72 H76 B4 O8 S4 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.06","0.0414","","","0.1119","0.1297","","","","","","1.067","","","","has coordinates","263836","2021-04-05","15:16:59",""
"7157880","8.626","0.0005","9.2018","0.0005","22.6467","0.0011","90","","90","","90","","1797.58","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O S2 -","- C19 H23 N O S2 -","- C76 H92 N4 O4 S8 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0475","0.0392","","","0.0849","0.0894","","","","","","1.056","","","","has coordinates,has disorder","263836","2021-04-05","15:17:00",""
"7157881","6.0539","0.0008","21.767","0.003","8.6784","0.0012","90","","97.314","0.005","90","","1134.3","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O S -","- C15 H12 O S -","- C60 H48 O4 S4 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0648","0.0479","","","0.1068","0.1146","","","","","","1.068","","","","has coordinates","263836","2021-04-05","15:17:00",""
"7157882","7.6092","0.0014","3.8618","0.0007","32.437","0.007","90","","96.374","0.008","90","","947.3","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 N S -","- C13 H7 N S -","- C52 H28 N4 S4 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0491","0.0448","","","0.1131","0.1159","","","","","","1.126","","","","has coordinates","263836","2021-04-05","15:17:00",""
"7157883","8.2143","0.0004","8.2225","0.0005","35.165","0.002","89.531","0.002","89.289","0.002","78.488","0.002","2327.1","0.2","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H28 F12 O4 S4 -","- C56 H28 F12 O4 S4 -","- C112 H56 F24 O8 S8 -","2","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0723","0.0498","","","0.1223","0.1373","","","","","","1.025","","","","has coordinates","263836","2021-04-05","15:17:00",""
"7157884","17.962","0.003","10.2398","0.0015","11.0654","0.0016","90","","93.763","0.006","90","","2030.8","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0878","0.0733","","","0.2118","0.2262","","","","","","1.082","","","","has coordinates","263822","2021-04-05","15:14:46",""
"7157885","9.4174","0.0005","10.5047","0.0005","11.707","0.0006","92.823","0.002","108.693","0.002","109.839","0.002","1015.58","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C52 H48 O8 -","2","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0443","0.0361","","","0.0856","0.0909","","","","","","1.026","","","","has coordinates","263822","2021-04-05","15:14:46",""
"7157886","13.873","0.0007","22.7202","0.0012","6.3384","0.0003","90","","98.843","0.002","90","","1974.1","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0849","0.0716","","","0.1719","0.1787","","","","","","1.131","","","","has coordinates","263822","2021-04-05","15:14:46",""
"7157887","27.5645","0.0011","7.0521","0.0003","22.8442","0.001","90","","114.574","0.001","90","","4038.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 F O4 -","- C26 H23 F O4 -","- C208 H184 F8 O32 -","8","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0412","0.0345","","","0.0835","0.0881","","","","","","1.031","","","","has coordinates","263822","2021-04-05","15:14:46",""
"7157888","9.6698","0.0008","13.6733","0.0012","15.2154","0.0012","107.614","0.004","91.299","0.004","93.979","0.004","1910.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","c-18b","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","2","","Marquès, Clàudia; Diaba, Faïza; Roca, Jaume; Bonjoch, Josep","Synthesis and reactivity of hydroindole enelactams leading to densely functionalized scaffolds.","Organic & biomolecular chemistry","2021","19","10","2284","2301","10.1039/d1ob00060h","","","0.71073","MoKα","","0.0582","0.0461","","","0.1124","0.1196","","","","","","1.051","","","","has coordinates","263824","2021-04-05","15:15:01",""
"7157889","8.443","0.003","7.818","0.003","29.113","0.011","90","","96.255","0.012","90","","1910.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7a*","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","","Marquès, Clàudia; Diaba, Faïza; Roca, Jaume; Bonjoch, Josep","Synthesis and reactivity of hydroindole enelactams leading to densely functionalized scaffolds.","Organic & biomolecular chemistry","2021","19","10","2284","2301","10.1039/d1ob00060h","","","0.71073","MoKα","","0.0654","0.047","","","0.1164","0.1356","","","","","","1.049","","","","has coordinates","263824","2021-04-05","15:15:01",""
"7157890","7.6249","0.0005","9.1227","0.0005","12.8047","0.0009","85.841","0.005","88.2","0.005","81.018","0.005","877.27","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 O6 S -","- C19 H12 O6 S -","- C38 H24 O12 S2 -","2","1","","Zhou, Wei; Tian, You-Ping; Zhou, Hao-Jie; Wang, Hui-Juan; Ren, Yan; Liu, Xiong-Li","Synthesis of methanesulfone-containing tetrasubstituted carbon stereocenters.","Organic & biomolecular chemistry","2021","19","10","2269","2276","10.1039/d1ob00071c","","x-ray","0.71073","MoKα","","0.0532","0.047","","","0.1165","0.1205","","","","","","1.097","","","","has coordinates","263820","2021-04-05","15:14:31",""
"7157891","9.5039","0.0012","8.281","0.002","24.124","0.008","90","","96.831","0.02","90","","1885.1","0.8","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F6 N2 O S2 -","- C17 H16 F6 N2 O S2 -","- C68 H64 F24 N8 O4 S8 -","4","1","","Ellaby, Rebecca J.; Clark, Ewan R.; Allen, Nyasha; Taylor, Faith R.; Ng, Kendrick K. L.; Dimitrovski, Milan; Chu, Dominique F.; Mulvihill, Daniel P.; Hiscock, Jennifer R.","Identification of organophosphorus simulants for the development of next-generation detection technologies.","Organic & biomolecular chemistry","2021","19","9","2008","2014","10.1039/d0ob02523b","","x-ray","1.54184","CuKα","","0.1461","0.0709","","","0.1394","0.18","","","","","","0.981","","","","has coordinates,has disorder","263833","2021-04-05","15:16:40",""
"7157892","31.342","0.006","5.8152","0.0012","29.181","0.006","90","","115.2","0.03","90","","4812","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 -","- C30 H30 N2 -","- C240 H240 N16 -","8","2","","Liu, Anan; Ma, Dongge; Qian, Yuhang; Li, Jundan; Zhai, Shan; Wang, Yi; Chen, Chuncheng","A powerful azomethine ylide route mediated by TiO<sub>2</sub> photocatalysis for the preparation of polysubstituted imidazolidines.","Organic & biomolecular chemistry","2021","19","10","2192","2197","10.1039/d0ob02277b","","","0.71073","MoKα","","0.1324","0.1029","","","0.1467","0.1564","","","","","","1.287","","","","has coordinates","263821","2021-04-05","15:14:38",""
"7157893","14.183","0.018","7.331","0.009","14.82","0.02","90","","111.951","0.011","90","","1429","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O3 S -","- C13 H19 N O3 S -","- C52 H76 N4 O12 S4 -","4","1","","Vankar, Jigarkumar K.; Gupta, Ankush; Jadav, Jaydeepbhai P.; Nanjegowda, Shankara H.; Gururaja, Guddeangadi N.","The thioamidation of gem-dibromoalkenes in an aqueous medium.","Organic & biomolecular chemistry","2021","19","11","2473","2480","10.1039/d0ob02319a","","","0.71075","MoKα","","0.1002","0.0679","","","0.1725","0.1974","","","","","","1.069","","","","has coordinates","263850","2021-04-05","15:19:20",""
"7157894","8.6212","0.0009","11.7654","0.0012","12.0329","0.0012","90","","100.743","0.005","90","","1199.1","0.2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 Cl N O2 -","- C28 H26 Cl N O2 -","- C56 H52 Cl2 N2 O4 -","2","1","","Zhao, Ling; Li, Guanlin; He, Rui; Liu, Penglin; Wang, Feijun; Huo, Xiaohong; Zhao, Min; Zhang, Wanbin","Stereodivergent Pd/Cu catalysis: asymmetric alkylation of racemic symmetrical 1,3-diphenyl allyl acetates.","Organic & biomolecular chemistry","2021","19","9","1955","1959","10.1039/d0ob02499f","","","1.54178","CuKα","","0.0861","0.0511","","","0.1545","0.1678","","","","","","1.059","","","","has coordinates","263838","2021-04-05","15:17:15",""
"7157895","11.768","0.003","8.713","0.004","12.22","0.004","90","","96.67","0.02","90","","1244.5","0.8","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O3 -","- C29 H29 N O3 -","- C58 H58 N2 O6 -","2","1","","Zhao, Ling; Li, Guanlin; He, Rui; Liu, Penglin; Wang, Feijun; Huo, Xiaohong; Zhao, Min; Zhang, Wanbin","Stereodivergent Pd/Cu catalysis: asymmetric alkylation of racemic symmetrical 1,3-diphenyl allyl acetates.","Organic & biomolecular chemistry","2021","19","9","1955","1959","10.1039/d0ob02499f","","","1.54178","CuKα","","0.0467","0.0415","","","0.1152","0.1222","","","","","","1.046","","","","has coordinates","263838","2021-04-05","15:17:15",""
"7157896","14.0371","0.0004","18.7861","0.0004","13.4704","0.0003","90","","113.45","0.003","90","","3258.79","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Br Cl2 N3 O2 -","- C37 H32 Br Cl2 N3 O2 -","- C148 H128 Br4 Cl8 N12 O8 -","4","1","","Li, Chunmei; Yang, Xiaopeng; Zhang, Furen; Qi, Chenze; Shen, Zhenlu","Simple and efficient one-pot multi-step strategy for the synthesis of 2-substituted (1,2,5-triarylpyrrolo[3,2-c]pyridin-3-yl)-N-arylacetamide derivatives in water.","Organic & biomolecular chemistry","2021","19","11","2526","2532","10.1039/d1ob00190f","","x-ray","1.54184","CuKα","","0.0653","0.0604","","","0.177","0.1867","","","","","","1.085","","","","has coordinates","263842","2021-04-05","15:18:30",""
"7157897","15.0149","0.0011","6.9413","0.0005","28.0824","0.0018","90","","102.467","0.002","90","","2857.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl N3 O2 S -","- C27 H24 Cl N3 O2 S -","- C108 H96 Cl4 N12 O8 S4 -","4","1","","Jin, Shengnan; Chen, Fan; Qian, Pengcheng; Cheng, Jiang","Cyanoalkylation/alkynylation of allylic alcohol through intramolecular radical 1,2-alkynyl migration.","Organic & biomolecular chemistry","2021","19","11","2416","2419","10.1039/d1ob00192b","","","0.71073","MoKα","","0.0702","0.0447","","","0.1113","0.1232","","","","","","1.004","","","","has coordinates","263846","2021-04-05","15:18:53",""
"7157898","10.0012","0.0008","22.074","0.002","10.7284","0.001","90","","90.349","0.003","90","","2368.4","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C112 H104 N8 O8 S4 -","4","1","","Chen, Zhuo; Nie, Xiao-Di; Sun, Jian-Ting; Yang, Ai-Mei; Wei, Bang-Guo","Zn(OTf)<sub>2</sub>-catalyzed hydroamination of ynamides with aromatic amines.","Organic & biomolecular chemistry","2021","19","11","2492","2501","10.1039/d0ob02603d","","","0.71073","MoKα","","0.0994","0.0608","","","0.1143","0.1316","","","","","","1.118","","","","has coordinates","263851","2021-04-05","15:19:25",""
"7157899","11.592","0.003","7.715","0.0015","19.848","0.005","90","","105.237","0.007","90","","1712.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N3 O4 P -","- C17 H20 N3 O4 P -","- C68 H80 N12 O16 P4 -","4","1","","Teixeira, Fátima C; Lucas, Carla; Curto, M João M; André, Vânia; Duarte, M. Teresa; Teixeira, António P S","Synthesis of novel pyrazolo[3,4-b]quinolinebisphosphonic acids and an unexpected intramolecular cyclization and phosphonylation reaction.","Organic & biomolecular chemistry","2021","19","11","2533","2545","10.1039/d1ob00025j","","","0.71073","MoKα","","0.1303","0.0817","","","0.196","0.2347","","","","","","0.96","","","","has coordinates","263845","2021-04-05","15:18:47",""
"7157900","7.8318","0.001","10.2797","0.0013","21.689","0.003","90","","98.47","0.006","90","","1727.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N3 O4 P -","- C17 H20 N3 O4 P -","- C68 H80 N12 O16 P4 -","4","1","","Teixeira, Fátima C; Lucas, Carla; Curto, M João M; André, Vânia; Duarte, M. Teresa; Teixeira, António P S","Synthesis of novel pyrazolo[3,4-b]quinolinebisphosphonic acids and an unexpected intramolecular cyclization and phosphonylation reaction.","Organic & biomolecular chemistry","2021","19","11","2533","2545","10.1039/d1ob00025j","","","0.71073","MoKα","","0.1096","0.0825","","","0.2171","0.2458","","","","","","1.04","","","","has coordinates","263845","2021-04-05","15:18:47",""
"7157901","7.40072","0.00018","9.1371","0.0003","18.7024","0.0006","90","","90","","90","","1264.68","0.07","150","0.2","150","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F N O5 -","- C13 H14 F N O5 -","- C52 H56 F4 N4 O20 -","4","1","","Sperga, Arturs; Kazia, Armands; Veliks, Janis","Monofluorinated 5-membered rings via fluoromethylene transfer: synthesis of monofluorinated isoxazoline N-oxides.","Organic & biomolecular chemistry","2021","19","12","2688","2691","10.1039/d1ob00270h","","x-ray","1.54184","CuKα","","0.0449","0.0371","","","0.0779","0.0825","","","","","","1.202","","","","has coordinates","263855","2021-04-05","15:20:09",""
"7157902","6.781","0.003","22.97","0.009","8.2131","0.0019","90","","91.101","0.019","90","","1279","0.8","170","0.2","170","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F N2 O6 -","- C12 H11 F N2 O6 -","- C48 H44 F4 N8 O24 -","4","1","","Sperga, Arturs; Kazia, Armands; Veliks, Janis","Monofluorinated 5-membered rings via fluoromethylene transfer: synthesis of monofluorinated isoxazoline N-oxides.","Organic & biomolecular chemistry","2021","19","12","2688","2691","10.1039/d1ob00270h","","x-ray","1.54184","CuKα","","0.0883","0.0746","","","0.1915","0.2043","","","","","","1.07","","","","has coordinates","263855","2021-04-05","15:20:09",""
"7157903","12.4119","0.0004","4.1382","0.0001","18.5166","0.0006","90","","94.868","0.003","90","","947.64","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 I O3 -","- C9 H6 I O3 -","- C36 H24 I4 O12 -","4","1","","Shimbo, Daisuke; Maruyama, Toshifumi; Tada, Norihiro; Itoh, Akichika","N-Alkenylation of hydroxamic acid derivatives with ethynyl benziodoxolone to synthesize cis-enamides through vinyl benziodoxolones.","Organic & biomolecular chemistry","2021","19","11","2442","2447","10.1039/d1ob00055a","","","0.71073","MoKα","","0.0309","0.0218","","","0.0472","0.0508","","","","","","1.062","","","","has coordinates","263843","2021-04-05","15:18:35",""
"7157904","8.9812","0.0003","10.2319","0.0003","22.2899","0.0006","90","","96.794","0.003","90","","2033.94","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 I N O4 -","- C23 H18 I N O4 -","- C92 H72 I4 N4 O16 -","4","1","","Shimbo, Daisuke; Maruyama, Toshifumi; Tada, Norihiro; Itoh, Akichika","N-Alkenylation of hydroxamic acid derivatives with ethynyl benziodoxolone to synthesize cis-enamides through vinyl benziodoxolones.","Organic & biomolecular chemistry","2021","19","11","2442","2447","10.1039/d1ob00055a","","","0.71073","MoKα","","0.0301","0.0247","","","0.075","0.0783","","","","","","1.154","","","","has coordinates","263843","2021-04-05","15:18:35",""
"7157905","8.7105","0.0006","9.787","0.0007","10.2324","0.0012","107.954","0.007","100.92","0.007","104.829","0.005","767.28","0.13","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C23 H16 -","- C23 H16 -","- C46 H32 -","2","1","","Sahu, Archana K.; Unnava, Ramanjaneyulu; Behera, Bipin K.; Saikia, Anil K.","Synthesis of dibenzocyclohepta[1,2-a]naphthalene derivatives from phenylacetaldehyde and alkynyl benzyl alcohols via sequential electrophilic addition and double Friedel-Crafts reactions.","Organic & biomolecular chemistry","2021","19","11","2430","2435","10.1039/d1ob00057h","","","0.71073","MoKα","","0.1172","0.0606","","","0.1672","0.1977","","","","","","1.031","","","","has coordinates","263841","2021-04-05","15:18:24",""
"7157906","9.8016","0.0006","12.5556","0.0007","14.0526","0.0008","90","","108.162","0.003","90","","1643.22","0.17","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Sahu, Archana K.; Unnava, Ramanjaneyulu; Behera, Bipin K.; Saikia, Anil K.","Synthesis of dibenzocyclohepta[1,2-a]naphthalene derivatives from phenylacetaldehyde and alkynyl benzyl alcohols via sequential electrophilic addition and double Friedel-Crafts reactions.","Organic & biomolecular chemistry","2021","19","11","2430","2435","10.1039/d1ob00057h","","","0.71073","MoKα","","0.0715","0.0517","","","0.1455","0.1611","","","","","","1.074","","","","has coordinates","263841","2021-04-05","15:18:24",""
"7157907","10.6922","0.0006","8.9341","0.0008","17.5905","0.0013","90","","98.505","0.006","90","","1661.9","0.2","99.9","0.4","99.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Br N2 O S -","- C18 H15 Br N2 O S -","- C72 H60 Br4 N8 O4 S4 -","4","1","","Gu, Qingyun; Wang, Qiyang; Dai, Wenjing; Wang, Xin; Ban, Yingguo; Liu, Tianqing; Zhao, Yu; Zhang, Yanan; Ling, Yong; Zeng, Xiaobao","K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-mediated regio- and stereo-selective thiocyanation of enamides with NH<sub>4</sub>SCN.","Organic & biomolecular chemistry","2021","19","11","2512","2516","10.1039/d1ob00156f","","x-ray","0.71073","MoKα","","0.0607","0.0482","","","0.1103","0.1207","","","","","","1.072","","","","has coordinates","263847","2021-04-05","15:18:58",""
"7157908","10.721","0.0007","14.6163","0.0011","12.7288","0.0011","90","","97.406","0.007","90","","1978","0.3","299","0.1","299","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N4 O4 -","- C20 H18 Cl2 N4 O4 -","- C80 H72 Cl8 N16 O16 -","4","1","","Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz","Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.","Organic & biomolecular chemistry","2021","19","12","2716","2724","10.1039/d1ob00032b","","","0.71073","MoKα","","0.1107","0.0599","","","0.1393","0.1726","","","","","","1.027","","","","has coordinates","263856","2021-04-05","15:20:16",""
"7157909","16.9129","0.0003","16.433","0.0002","8.5648","0.0002","90","","104.382","0.002","90","","2305.81","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8''-chloro-6'',9''-dimethoxy-8-(trifluoromethyl)-[7,7''-bipyrido[1,2-a]benzimidazole]-6,9-dione","","- C25 H22 Cl F3 N4 O4 -","- C25 H22 Cl F3 N4 O4 -","- C100 H88 Cl4 F12 N16 O16 -","4","1","","Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz","Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.","Organic & biomolecular chemistry","2021","19","12","2716","2724","10.1039/d1ob00032b","","x-ray","1.54184","CuKα","","0.0428","0.0378","","","0.097","0.1019","","","","","","1.055","","","","has coordinates","263856","2021-04-05","15:20:16",""
"7157910","23.3635","0.0002","9.5879","0.0001","17.6817","0.0002","90","","90","","90","","3960.82","0.07","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","7''-bromo-5'',8''-dimethoxy-[6,6''-bipyrrolo[1,2-a]benzimidazole]-5,8-dione","","- C22 H19 Br N4 O4 -","- C22 H19 Br N4 O4 -","- C176 H152 Br8 N32 O32 -","8","1","","Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz","Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.","Organic & biomolecular chemistry","2021","19","12","2716","2724","10.1039/d1ob00032b","","x-ray","1.54184","CuKα","","0.0434","0.0431","","","0.1161","0.1163","","","","","","1.153","","","","has coordinates,has disorder","263856","2021-04-05","15:20:16",""
"7157911","3.7961","0.0001","7.4931","0.0003","22.9246","0.0009","90","","99.5201","0.0013","90","","643.1","0.04","170","2","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N2 O -","- C7 H6 N2 O -","- C28 H24 N8 O4 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0688","0.0574","","","0.1432","0.153","","","","","","1.121","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157912","8.9692","0.0001","18.2082","0.0002","9.2058","0.0001","90","","106.444","0.0007","90","","1441.93","0.03","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Cl N3 O2 -","- C12 H22 Cl N3 O2 -","- C48 H88 Cl4 N12 O8 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0485","0.04","","","0.0936","0.0977","","","","","","1.031","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157913","20.1831","0.0003","7.18245","0.00012","30.464","0.0005","90","","102.664","0.0017","90","","4308.76","0.12","123","0.1","123","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H31 Cl N6 O6 -","- C18 H31 Cl N6 O6 -","- C144 H248 Cl8 N48 O48 -","8","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","x-ray","1.54184","CuKα","","0.0664","0.062","","","0.183","0.1899","","","","","","1.05","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157914","8.5903","0.0002","14.7776","0.0004","15.1797","0.0004","87.837","0.002","73.679","0.002","82.1","0.002","1831.77","0.08","223","0.1","223","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Cl N6 O4 -","- C14 H23 Cl N6 O4 -","- C56 H92 Cl4 N24 O16 -","4","2","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","x-ray","1.54184","CuKα","","0.046","0.0445","","","0.1209","0.1231","","","","","","1.042","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157915","9.3183","0.0007","9.8382","0.0007","11.2711","0.0008","78.16","0.006","78.258","0.006","73.277","0.006","956.95","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H25 N3 O8 S2 -","- C13 H25 N3 O8 S2 -","- C26 H50 N6 O16 S4 -","2","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0505","0.0425","","","0.1101","0.116","","","","","","1.04","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157916","4.4199","0.0003","11.7058","0.0006","20.2357","0.0015","90","","93.014","0.006","90","","1045.52","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cl2 N3 O -","- C7 H11 Cl2 N3 O -","- C28 H44 Cl8 N12 O4 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0472","0.0376","","","0.0908","0.0966","","","","","","1.066","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157917","6.7656","0.0002","9.4132","0.0002","10.2539","0.0002","108.309","0.0011","96.718","0.0011","102.189","0.001","594.05","0.03","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 Cl N3 O3 -","- C9 H16 Cl N3 O3 -","- C18 H32 Cl2 N6 O6 -","2","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0497","0.0404","","","0.0979","0.1038","","","","","","1.054","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157918","6.577","0.0002","10.7154","0.0003","15.0191","0.0004","90","","90","","90","","1058.47","0.05","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C40 H60 N12 O8 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0435","0.0417","","","0.1072","0.109","","","","","","1.052","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157919","10.14","0.0008","4.0229","0.0004","10.8744","0.0012","90","","98.89","0.007","90","","438.26","0.07","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H13 N3 O3 -","- C7 H13 N3 O3 -","- C14 H26 N6 O6 -","2","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0998","0.063","","","0.1466","0.1688","","","","","","1.058","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157920","4.3443","0.0004","14.5191","0.0009","15.9472","0.0015","90","","113.446","0.011","90","","922.83","0.15","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl N6 O4 -","- C14 H23 Cl N6 O4 -","- C28 H46 Cl2 N12 O8 -","2","0.5","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0635","0.044","","","0.0975","0.1095","","","","","","1.028","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157921","14.7267","0.0007","36.335","0.0018","7.3619","0.0004","90","","90.269","0.004","90","","3939.3","0.3","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19.669 N3 O5.735 -","- C9 H19.6693 N3 O5.73467 -","- C108 H236.032 N36 O68.816 -","12","3","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","x-ray","1.54184","CuKα","","0.1146","0.0889","","","0.2339","0.2503","","","","","","1.112","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157922","7.972","0.003","9.389","0.003","13.279","0.005","85.406","0.017","84.165","0.019","67.62","0.018","913.4","0.6","170","2","170","","","","","","","","","4","P -1","-P 1","2","","(4-Chlorophenyl)(3,5-diphenylcyclopent-2-en-1-yl)methanone","","- C24 H19 Cl O -","- C24 H19 Cl O -","- C48 H38 Cl2 O2 -","2","1","","Li, Ya-Qiong; Xu, Guo-Dong; Huang, Zhi-Zhen","An organophosphorus-mediated cross-Rauhut-Currier/Wittig domino reaction for the efficient synthesis of trisubstituted cyclopentenes.","Organic & biomolecular chemistry","2021","19","11","2487","2491","10.1039/d1ob00150g","","","0.71073","MoKα","","0.0413","0.0372","","","0.094","0.0972","","","","","","1.047","","","","has coordinates","263849","2021-04-05","15:19:15",""
"7157923","5.2488","0.0002","7.5956","0.0003","33.4224","0.0012","90","","90","","90","","1332.48","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","","Liang, Leilei; Li, Ji; Shen, Baochun; Zhang, Yili; Liu, Jianping; Chen, Jingbo; Liu, Dandan","The effect of carbonyl on the isomerization of a galanthan ring system and total synthesis of (±)-β-lycorane.","Organic & biomolecular chemistry","2021","19","12","2767","2772","10.1039/d0ob02398a","","","1.54178","CuKα","","0.0282","0.0278","","","0.0734","0.0737","","","","","","1.057","","","","has coordinates","263853","2021-04-05","15:19:42",""
"7157924","11.4303","0.0007","23.178","0.0016","10.3616","0.0008","90","","91.78","0.006","90","","2743.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","2","","Han, Xiao-Dan; Peng, Gao-Liang; Wang, Hui-Bin; Wu, Lei; Fu, Jian-Ping; Tang, Zhong-Sheng; Hu, Ju-Wu; Xiong, Wei","Novel synthesis of fused spiro piperidone-cyclopropanes from cyclopropyl amides and electron-deficient alkenes.","Organic & biomolecular chemistry","2021","19","14","3191","3198","10.1039/d1ob00214g","","x-ray","0.71073","MoKα","","0.0857","0.0728","","","0.2014","0.2095","","","","","","1.107","","","","has coordinates","264951","2021-05-05","09:03:55",""
"7157925","15.2387","0.0004","10.3818","0.0004","9.6545","0.0003","90","","90","","90","","1527.39","0.09","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","0.5","","Han, Xiao-Dan; Peng, Gao-Liang; Wang, Hui-Bin; Wu, Lei; Fu, Jian-Ping; Tang, Zhong-Sheng; Hu, Ju-Wu; Xiong, Wei","Novel synthesis of fused spiro piperidone-cyclopropanes from cyclopropyl amides and electron-deficient alkenes.","Organic & biomolecular chemistry","2021","19","14","3191","3198","10.1039/d1ob00214g","","x-ray","1.54184","CuKα","","0.0724","0.0692","","","0.164","0.1658","","","","","","1.163","","","","has coordinates","264951","2021-05-05","09:03:55",""
"7157926","7.18","0.003","8.862","0.004","12.266","0.006","84.056","0.017","84.296","0.015","84.884","0.014","770","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O6 -","- C17 H17 N O6 -","- C34 H34 N2 O12 -","2","1","","Meng, Ling; Chang, Xiaoyong; Lin, Zhenyang; Wang, Jun Joelle","Metal-free access to 3-allyl-2-alkoxychromanones via phosphine-catalyzed alkoxy allylation of chromones with MBH carbonates and alcohols.","Organic & biomolecular chemistry","2021","19","12","2663","2667","10.1039/d1ob00215e","","x-ray","0.71073","MoKα","","0.0526","0.0384","","","0.0929","0.0994","","","","","","1.034","","","","has coordinates","263852","2021-04-05","15:19:30",""
"7157927","10.3731","0.0001","6.7217","0.0001","16.666","0.0002","90","","90","","90","","1162.03","0.02","150","2","150.01","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C15 H16 O -","- C15 H16 O -","- C60 H64 O4 -","4","0.5","","Williams, Georgia E.; Kociok-Köhn, Gabriele; James, Tony D.; Lewis, Simon E.","C4-aldehyde of guaiazulene: synthesis and derivatisation.","Organic & biomolecular chemistry","2021","19","11","2502","2511","10.1039/d0ob02567d","","x-ray","1.54184","CuKα","","0.0442","0.0431","","","0.1183","0.1197","","","","","","1.063","","","","has coordinates","263844","2021-04-05","15:18:40",""
"7157928","8.8254","0.0015","9.1172","0.0014","16.392","0.002","94.438","0.012","90.27","0.013","111.705","0.013","1221","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H21 Br Cl N3 O3 -","- C27 H21 Br Cl N3 O3 -","- C54 H42 Br2 Cl2 N6 O6 -","2","1","","Teimouri, Mohammad Bagher; Mokhtare, Zahra; Khavasi, Hamid Reza","Uncatalyzed diastereoselective synthesis of alkyliminofurochromone-derived benzylmalononitriles via a three-component cascade reaction: competition between Diels-Alder cycloaddition and Michael addition.","Organic & biomolecular chemistry","2021","19","11","2517","2525","10.1039/d0ob02540b","","","0.71073","MoKα","","0.1894","0.0689","","","0.1368","0.1652","","","","","","0.816","","","","has coordinates","263848","2021-04-05","15:19:03",""
"7157929","11.5777","0.0016","12.8278","0.0018","15.3442","0.0019","77.929","0.005","76.867","0.005","88.501","0.005","2169.6","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Br N4 O -","- C23 H27 Br N4 O -","- C92 H108 Br4 N16 O4 -","4","2","","Wen, Li-Rong; Wang, Ning-Ning; Du, Wu-Bo; Ma, Qiang; Zhang, Lin-Bao; Li, Ming","Nickel-promoted oxidative domino C<sub>sp3</sub>-H/N-H bond double-isocyanide insertion reaction to construct pyrrolin-2-ones.","Organic & biomolecular chemistry","2021","19","13","2895","2900","10.1039/d1ob00139f","","","0.71073","MoKα","","0.0616","0.0496","","","0.1054","0.1122","","","","","","1.089","","","","has coordinates","264948","2021-05-05","09:03:32",""
"7157930","6.7974","0.0012","13.92","0.002","9.9497","0.0018","90","","91.655","0.006","90","","941","0.3","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","tk287","","","- C18 H19 N9 O2 -","- C18 H19 N9 O2 -","- C36 H38 N18 O4 -","2","1","","Kösel, Teresa; Dräger, Gerald; Kirschning, Andreas","Oxidative azidations of phenols and ketones using iodine azide after release from an ion exchange resin.","Organic & biomolecular chemistry","2021","19","13","2907","2911","10.1039/d1ob00083g","","","0.71073","MoKα","","0.073","0.0486","","","0.1241","0.1413","","","","","","0.866","","","","has coordinates","264947","2021-05-05","09:03:26",""
"7157931","9.266","0.0002","11.4559","0.0003","12.8747","0.0004","90","","90","","90","","1366.65","0.06","120.01","0.1","120.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H9 B Cl2 N2 O -","- C15 H9 B Cl2 N2 O -","- C60 H36 B4 Cl8 N8 O4 -","4","1","","Iqbal, S. A.; Yuan, K.; Cid, J.; Pahl, J.; Ingleson, M. J.","Controlling selectivity in N-heterocycle directed borylation of indoles.","Organic & biomolecular chemistry","2021","19","13","2949","2958","10.1039/d1ob00018g","","x-ray","1.54184","CuKα","","0.0604","0.0532","","","0.1398","0.147","","","","","","1.069","","","","has coordinates","264949","2021-05-05","09:03:41",""
"7157932","7.2198","0.0004","8.3969","0.0005","19.8689","0.0009","90","","97.203","0.002","90","","1195.02","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 B Cl2 N2 -","- C13 H9 B Cl2 N2 -","- C52 H36 B4 Cl8 N8 -","4","1","","Iqbal, S. A.; Yuan, K.; Cid, J.; Pahl, J.; Ingleson, M. J.","Controlling selectivity in N-heterocycle directed borylation of indoles.","Organic & biomolecular chemistry","2021","19","13","2949","2958","10.1039/d1ob00018g","","","0.71073","MoKα","","0.0424","0.0344","","","0.0874","0.0928","","","","","","1.06","","","","has coordinates","264949","2021-05-05","09:03:41",""
"7157933","11.5825","0.0011","11.7312","0.0012","16.2936","0.0016","90","","110.128","0.004","90","","2078.7","0.4","173","2","173.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 S Se -","- C23 H21 N O3 S Se -","- C92 H84 N4 O12 S4 Se4 -","4","1","","Bian, Mixue; Hua, Jiawei; Ma, Tao; Xu, Jia; Cai, Chen; Yang, Zhao; Liu, Chengkou; He, Wei; Fang, Zheng; Guo, Kai","Continuous-flow electrosynthesis of selenium-substituted iminoisobenzofuran via oxidative cyclization of olefinic amides and diselenides.","Organic & biomolecular chemistry","2021","19","14","3207","3212","10.1039/d1ob00236h","","","1.34139","GaKα","","0.0374","0.0349","","","0.0924","0.0946","","","","","","1.077","","","","has coordinates","264954","2021-05-05","09:04:12",""
"7157934","12.135","0.002","13.466","0.003","13.797","0.003","105.34","0.03","97.89","0.03","112.09","0.03","1942.6","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43 Cl N5 O6 -","- C40 H43 Cl N5 O6 -","- C80 H86 Cl2 N10 O12 -","2","1","","Nazeri, Mohammad Taghi; Shaabani, Ahmad; Notash, Behrouz","Chemoselective synthesis of fully substituted pyrroles <i>via</i> a one-pot four-component isocyanide-based reaction.","Organic & biomolecular chemistry","2021","19","16","3722","3734","10.1039/d0ob02339f","","","0.71073","MoKα","","0.1532","0.0904","","","0.2467","0.2872","","","","","","1.017","","","","has coordinates","264945","2021-05-05","09:02:56",""
"7157935","8.1689","0.0002","30.7155","0.0007","16.3945","0.0004","90","","103.292","0.003","90","","4003.38","0.17","150","","150","","","","","","","","syntheszied","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 I N O -","- C6 H8 I N O -","- C120 H160 I20 N20 O20 -","20","5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","MoKα","","0.0444","0.0284","","0.0514","0.0441","0.0514","","","","","","0.9294","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157936","16.154","0.002","10.07","0.0015","14.0816","0.0017","90","","91.992","0.011","90","","2289.3","0.5","150","","150","","","","","","","","synthesized","5","C 1 2/m 1","-C 2y","12","","","","- C30 H28 B N O -","- C30 H28 B N O -","- C120 H112 B4 N4 O4 -","4","0.5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.1626","0.1524","","0.2956","0.2933","0.2956","","","","","","1.0465","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157937","10.4429","0.0002","11.3851","0.0003","13.3448","0.0003","78.042","0.002","78.837","0.002","83.599","0.002","1518.6","0.06","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C29 H28 F12 N2 O3 P2 -","- C29 H28 F12 N2 O3 P2 -","- C58 H56 F24 N4 O6 P4 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.061","0.057","","0.1548","0.1519","0.1548","","","","","","0.9706","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157938","6.9715","0.0003","8.8109","0.0004","10.7517","0.0004","105.053","0.004","99.409","0.004","94.776","0.004","623.68","0.05","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C10 H12 F6 N O2 P -","- C10 H12 F6 N O2 P -","- C20 H24 F12 N2 O4 P2 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","MoKα","","0.0509","0.0415","","0.1016","0.0916","0.1016","","","","","","0.9338","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157939","7.5285","0.0003","17.4636","0.0005","6.872","0.0002","90","","99.35","0.003","90","","891.49","0.05","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O6 S -","- C20 H20 N2 O6 S -","- C40 H40 N4 O12 S2 -","2","0.5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0552","0.0463","","0.119","0.1114","0.119","","","","","","0.9467","","","","has coordinates,has disorder","263854","2021-04-05","15:20:02",""
"7157940","5.1792","0.0001","13.1666","0.0003","6.8217","0.0002","90","","97.057","0.002","90","","461.664","0.019","150","","150","","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Cl N O -","- C10 H10 Cl N O -","- C20 H20 Cl2 N2 O2 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0411","0.0407","","0.1067","0.1061","0.1067","","","","","","0.9111","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157941","14.8499","0.0005","16.5325","0.0006","18.0268","0.0007","65.052","0.004","66.01","0.003","88.251","0.003","3612.6","0.3","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C64 H62 F24 N10 O4 P4 -","- C64 H62 F24 N10 O4 P4 -","- C128 H124 F48 N20 O8 P8 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0689","0.0646","","0.1874","0.1831","0.1874","","","","","","0.9718","","","","has coordinates,has disorder","263854","2021-04-05","15:20:02",""
"7157942","44.058","0.012","8.6635","0.0003","24.582","0.007","90","","146.85","0.06","90","","5131","8","150","","150","","","","","","","","synthesized","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H23.5 Cl F6 N2.5 O2 P -","- C27 H23.5 Cl F6 N2.5 O2 P -","- C216 H188 Cl8 F48 N20 O16 P8 -","8","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0499","0.0464","","0.11","0.1066","0.11","","","","","","0.9409","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157943","7.5194","0.0004","9.483","0.0004","9.4934","0.0003","118.013","0.004","97.791","0.003","104.191","0.004","553.98","0.05","150","","150","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C26 H22 Br2 N2 O2 -","- C26 H22 Br2 N2 O2 -","- C26 H22 Br2 N2 O2 -","1","0.5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.021","0.0209","","0.0549","0.0548","0.0549","","","","","","1.0434","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157944","23.425","0.0003","23.425","0.0003","18.7771","0.0005","90","","90","","90","","10303.6","0.3","150","","150","","","","","","","","synthesized","6","I 41/a :2","-I 4ad","88","","","","- C26 H21 F6 N2 O2 P -","- C26 H21 F6 N2 O2 P -","- C416 H336 F96 N32 O32 P16 -","16","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0402","0.0326","","0.0845","0.0763","0.0845","","","","","","0.9499","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157945","7.762","0.0016","8.726","0.0017","18.728","0.004","85.64","0.03","88.48","0.03","89.71","0.03","1264.3","0.5","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C28 H30 N2 O8 S -","- C28 H30 N2 O8 S -","- C56 H60 N4 O16 S2 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","Synchrotron","","0.16","0.1255","","0.2194","0.2038","0.2194","","","","","","0.9047","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157946","9.8904","0.0002","7.3341","0.0002","22.6009","0.0007","90","","97.141","0.003","90","","1626.69","0.08","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Br N2 O -","- C19 H17 Br N2 O -","- C76 H68 Br4 N8 O4 -","4","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","MoKα","","0.0247","0.0219","","0.0438","0.0428","0.0438","","","","","","0.9504","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157947","14.3441","0.0002","11.4367","0.0001","16.6982","0.0002","90","","90.8455","0.0011","90","","2739.03","0.06","150","","150","","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Br F6 N3 O2 P -","- C28 H25 Br F6 N3 O2 P -","- C112 H100 Br4 F24 N12 O8 P4 -","4","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0357","0.0345","","0.0809","0.0805","0.0809","","","","","","0.9539","","","","has coordinates,has disorder","263854","2021-04-05","15:20:02",""
"7157948","6.294","0.003","26.438","0.002","7.67","0.004","90","","103.84","0.01","90","","1239.2","0.9","100","","100","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 F6 N2 P -","- C9 H17 F6 N2 P -","- C36 H68 F24 N8 P4 -","4","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.710918","synchrotron","","0.0366","0.0346","","0.0873","0.086","0.0873","","","","","","0.9964","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157949","17.86","0.003","8.4885","0.0004","14.325","0.002","90","","136.68","0.03","90","","1490","0.9","105.6","","105.6","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","","Wu, Qiuyue; Dong, Ziyang; Xu, Jiaxi; Yang, Zhanhui","Sulfur-controlled and rhodium-catalyzed formal (3 + 3) transannulation of thioacyl carbenes with alk-2-enals and mechanistic insights.","Organic & biomolecular chemistry","2021","19","14","3173","3180","10.1039/d1ob00116g","","","1.5418","CuKα","","0.0289","0.0287","","","0.0753","0.0755","","","","","","1.082","","","","has coordinates","264955","2021-05-05","09:04:16",""
"7157950","9.9245","0.0014","10.0171","0.0014","20.572","0.003","90","","93.914","0.013","90","","2040.4","0.5","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","2","","Shah, Chandan; Yadav, Pratik; Althagafi, Ismail; Nemaysh, Vishal; Shaw, Ranjay; Elagamy, Amr; Pratap, Ramendra","Base mediated synthesis of functionalized 2-(alkynyl)arylnitriles and their molecular docking study with aromatase receptor.","Organic & biomolecular chemistry","2021","19","15","3462","3468","10.1039/d1ob00165e","","","0.71073","MoKα","","0.2237","0.0891","","","0.1858","0.2684","","","","","","0.8972","","","","has coordinates","264961","2021-05-05","09:05:16",""
"7157951","8.2412","0.0003","17.5619","0.0006","18.482","0.0005","90","","99.566","0.001","90","","2637.73","0.15","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H38 Cl2 F12 N2 O2 S4 Sb2 -","- C49 H38 Cl2 F12 N2 O2 S4 Sb2 -","- C98 H76 Cl4 F24 N4 O4 S8 Sb4 -","2","0.5","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0286","0.0279","","","0.0842","0.085","","","","","","1.071","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157952","10.8928","0.001","26.053","0.002","7.3295","0.0005","90","","103.374","0.003","90","","2023.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F3 N O4 S3 -","- C20 H16 F3 N O4 S3 -","- C80 H64 F12 N4 O16 S12 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0313","0.0288","","","0.0724","0.0743","","","","","","1.067","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157953","32.2922","0.0019","8.2812","0.0005","18.3803","0.0009","90","","111.542","0.002","90","","4571.9","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F3 N O3 S2 -","- C26 H18 F3 N O3 S2 -","- C208 H144 F24 N8 O24 S16 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0437","0.0387","","","0.0956","0.1003","","","","","","1.058","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157954","7.7343","0.0009","11.6345","0.0013","25.586","0.002","90","","95.771","0.003","90","","2290.7","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N O4 S3 -","- C25 H16 F3 N O4 S3 -","- C100 H64 F12 N4 O16 S12 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0305","0.0294","","","0.0802","0.0811","","","","","","1.06","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157955","10.1835","0.0013","10.1873","0.0012","12.0324","0.0013","73.061","0.004","85.268","0.005","71.102","0.004","1129.7","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O2 -","- C27 H27 N3 O2 -","- C54 H54 N6 O4 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0432","0.0383","","","0.0961","0.1001","","","","","","1.038","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157956","8.5809","0.0008","9.1772","0.0007","10.4716","0.0009","103.021","0.004","93.915","0.004","96.53","0.003","794.44","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 O S -","- C20 H14 N2 O S -","- C40 H28 N4 O2 S2 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0382","0.0337","","","0.0836","0.0876","","","","","","1.062","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157957","24.1618","0.0013","8.143","0.0005","24.1637","0.0015","90","","99.543","0.002","90","","4688.4","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 N O S -","- C31 H25 N O S -","- C248 H200 N8 O8 S8 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0344","0.033","","","0.089","0.0903","","","","","","1.031","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157958","8.0241","0.0006","20.8105","0.0012","15.2442","0.0008","90","","105.143","0.002","90","","2457.2","0.3","100.01","","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 F3 N O3 S2 -","- C28 H22 F3 N O3 S2 -","- C112 H88 F12 N4 O12 S8 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0396","0.0336","","","0.0865","0.091","","","","","","1.046","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157959","9.8155","0.0006","16.0505","0.0014","29.742","0.002","90","","90","","90","","4685.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H18 F3 N O4 S2 -","- C26 H18 F3 N O4 S2 -","- C208 H144 F24 N8 O32 S16 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0449","0.0393","","","0.0796","0.083","","","","","","1.105","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157960","10.9164","0.0009","15.2555","0.0015","14.1703","0.0013","90","","99.893","0.004","90","","2324.8","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 F5 N O3 S2 -","- C26 H16 F5 N O3 S2 -","- C104 H64 F20 N4 O12 S8 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0456","0.0424","","","0.1041","0.1066","","","","","","1.094","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157961","12.89","0.003","17.696","0.004","9.0179","0.0016","90","","99.136","0.006","90","","2030.9","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0676","0.0517","","","0.1213","0.1291","","","","","","1.062","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157962","10.266","0.002","10.436","0.002","13.703","0.003","77.481","0.007","74.186","0.007","87.828","0.008","1378.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 F3 N O3 S2 -","- C32 H22 F3 N O3 S2 -","- C64 H44 F6 N2 O6 S4 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0541","0.0437","","","0.1036","0.1126","","","","","","1.073","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157963","6.149","0.002","16.882","0.005","19.24","0.006","90","","90","","90","","1997.3","1.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O S -","- C26 H21 N O S -","- C104 H84 N4 O4 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0386","0.0345","","","0.0804","0.0841","","","","","","1.058","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157964","12.3013","0.0016","11.0116","0.0011","16.542","0.002","90","","100.472","0.004","90","","2203.4","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O3 S -","- C27 H25 N O3 S -","- C108 H100 N4 O12 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0346","0.0324","","","0.0869","0.089","","","","","","1.038","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157965","13.0989","0.0006","13.0989","0.0006","27.9396","0.001","90","","90","","90","","4793.9","0.4","100","","100","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C26 H18 F3 N O3 S3 -","- C26 H18 F3 N O3 S3 -","- C208 H144 F24 N8 O24 S24 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0559","0.0491","","","0.1256","0.1332","","","","","","1.043","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157966","12.066","0.005","11.422","0.005","16.283","0.007","90","","103.093","0.011","90","","2185.7","1.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O S -","- C27 H23 N O S -","- C108 H92 N4 O4 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0961","0.0679","","","0.1777","0.2025","","","","","","1.092","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157967","9.6947","0.0003","10.8404","0.0003","12.192","0.0004","99.164","0.001","113.438","0.001","109.745","0.001","1040.54","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N O S -","- C27 H23 N O S -","- C54 H46 N2 O2 S2 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.037","0.0338","","","0.0919","0.0976","","","","","","1.052","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157968","11.0127","0.0008","18.919","0.002","17.186","0.002","90","","106.981","0.003","90","","3424.6","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 F3 N O4 S5 -","- C38 H26 F3 N O4 S5 -","- C152 H104 F12 N4 O16 S20 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0578","0.0465","","","0.1042","0.1109","","","","","","1.058","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157969","14.7925","0.0018","10.7843","0.0013","13.5803","0.0017","90","","111.899","0.002","90","","2010.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O2 -","- C25 H21 N3 O2 -","- C100 H84 N12 O8 -","4","1","","Liu, Qi; Wang, Lei; Liu, Jie; Ruan, Shuchen; Li, Pinhua","Facile synthesis of carbamoylated benzimidazo[2,1-<i>a</i>]isoquinolin-6(5<i>H</i>)-ones <i>via</i> radical cascade cyclization under metal-free conditions.","Organic & biomolecular chemistry","2021","19","15","3489","3496","10.1039/d1ob00101a","","","0.71073","MoKα","","0.0491","0.0348","","","0.094","0.1018","","","","","","0.951","","","","has coordinates","264964","2021-05-05","09:05:34",""
"7157970","13.3305","0.0012","7.3656","0.0007","20.434","0.002","90","","94.098","0.002","90","","2001.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br N2 O3 S -","- C23 H17 Br N2 O3 S -","- C92 H68 Br4 N8 O12 S4 -","4","1","","Liu, Qi; Wang, Lei; Liu, Jie; Ruan, Shuchen; Li, Pinhua","Facile synthesis of carbamoylated benzimidazo[2,1-<i>a</i>]isoquinolin-6(5<i>H</i>)-ones <i>via</i> radical cascade cyclization under metal-free conditions.","Organic & biomolecular chemistry","2021","19","15","3489","3496","10.1039/d1ob00101a","","","0.71073","MoKα","","0.0645","0.0402","","","0.0931","0.1005","","","","","","0.987","","","","has coordinates","264964","2021-05-05","09:05:34",""
"7157971","7.7555","0.0002","19.8449","0.0004","15.1282","0.0003","90","","102.239","0.002","90","","2275.42","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cl F3 N O2 S -","- C26 H21 Cl F3 N O2 S -","- C104 H84 Cl4 F12 N4 O8 S4 -","4","1","","Chen, Tao; Wang, Aoning; Zhang, Linxue; Wei, Chenlong; Huang, Juhui; Liu, Xiang; Fu, Zhenqian","Formal [4 + 1] annulation of fluorinated sulfonium salt with cyclic unsaturated imines to access CF<sub>3</sub>-substituted pyrroles.","Organic & biomolecular chemistry","2021","19","14","3128","3133","10.1039/d1ob00218j","","x-ray","1.54184","CuKα","","0.0406","0.038","","","0.0968","0.0995","","","","","","1.038","","","","has coordinates","264950","2021-05-05","09:03:47",""
"7157972","12.1135","0.0002","20.9493","0.0004","10.1143","0.0002","90","","101.59","0.03","90","","2514.4","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 O2 -","- C34 H26 O2 -","- C136 H104 O8 -","4","1","","Emmaniel Raju, Chittala; Kadiyala, Veerabhushanam; Sreenivasulu, Gottam; Kumar, Perla Bharath; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold-catalyzed synthesis of 1<i>H</i>-isochromene-4-carbaldehydes <i>via</i> oxidative cascade cyclization.","Organic & biomolecular chemistry","2021","19","16","3634","3643","10.1039/d1ob00066g","","","0.71073","MoKα","","0.105","0.0662","","","0.168","0.1967","","","","","","1.027","","","","has coordinates","264944","2021-05-05","09:02:49",""
"7157973","15.2574","0.0002","8.055","0.0001","18.4264","0.0004","90","","96.396","0.002","90","","2250.48","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H46 Cl2 N4 O4 -","- C55 H46 Cl2 N4 O4 -","- C110 H92 Cl4 N8 O8 -","2","1","","Wei, Ran; Gao, Li; Li, Gaihui; Tang, Li; Zhang, Guoshun; Zheng, Feilang; Song, Heng; Li, Qingshan; Ban, Shurong","Squaramide-catalysed asymmetric Friedel-Crafts alkylation of naphthol and unsaturated pyrazolones.","Organic & biomolecular chemistry","2021","19","15","3370","3373","10.1039/d1ob00347j","","","1.54178","CuKα","","0.0711","0.0613","","","0.1605","0.168","","","","","","1.082","","","","has coordinates","264962","2021-05-05","09:05:21",""
"7157974","12.4819","0.0003","5.4926","0.0002","25.2518","0.0007","90","","101.834","0.003","90","","1694.42","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C76 H68 Br4 N8 O12 -","4","1","","Qiu, Shaotong; Cao, Tongxiang; Zhu, Shifa","Catalyst-free synthesis of isoxazolidine from nitrosoarene and haloalkyne via a 1,2-halo-migration/[3 + 2] cycloaddition cascade.","Organic & biomolecular chemistry","2021","19","14","3139","3143","10.1039/d1ob00421b","","x-ray","1.54184","CuKα","","0.0374","0.0308","","","0.0772","0.0817","","","","","","1.047","","","","has coordinates","264952","2021-05-05","09:04:02",""
"7157975","20.0555","0.001","7.4291","0.0005","23.0509","0.0012","90","","90","","90","","3434.5","0.3","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 I N2 O3 -","- C19 H15 I N2 O3 -","- C152 H120 I8 N16 O24 -","8","2","","Qiu, Shaotong; Cao, Tongxiang; Zhu, Shifa","Catalyst-free synthesis of isoxazolidine from nitrosoarene and haloalkyne via a 1,2-halo-migration/[3 + 2] cycloaddition cascade.","Organic & biomolecular chemistry","2021","19","14","3139","3143","10.1039/d1ob00421b","","x-ray","0.71073","MoKα","","0.0404","0.033","","","0.0638","0.0678","","","","","","1.026","","","","has coordinates","264952","2021-05-05","09:04:02",""
"7157976","14.282","0.0013","13.5704","0.0009","10.3175","0.0009","90","","110.86","0.002","90","","1868.6","0.3","287","2","287.55","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Kumar, Pravin; Keshri, Santosh Kumar; Kapur, Manmohan","Ru(II)-Catalyzed, Cu(II)-mediated carbene migratory insertion in the synthesis of trisubstituted pyrroles from isoxazoles.","Organic & biomolecular chemistry","2021","19","15","3428","3433","10.1039/d1ob00255d","","","0.71073","MoKα","","0.1752","0.0701","","","0.1276","0.1598","","","","","","1.024","","","","has coordinates","264959","2021-05-05","09:04:46",""
"7157977","9.912","0.003","15.262","0.004","8.115","0.002","90","","98.518","0.01","90","","1214.1","0.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 S -","- C12 H14 N2 O2 S -","- C48 H56 N8 O8 S4 -","4","1","","Kumar, Pravin; Keshri, Santosh Kumar; Kapur, Manmohan","Ru(II)-Catalyzed, Cu(II)-mediated carbene migratory insertion in the synthesis of trisubstituted pyrroles from isoxazoles.","Organic & biomolecular chemistry","2021","19","15","3428","3433","10.1039/d1ob00255d","","","0.71073","MoKα","","0.0349","0.0312","","","0.0905","0.0946","","","","","","1.012","","","","has coordinates","264959","2021-05-05","09:04:52",""
"7157978","21.5473","0.0006","6.9275","0.0002","10.8993","0.0003","90","","90","","90","","1626.93","0.08","150","2","150","2","","","","","","","synthesized by the authors","4","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl3 O3 -","- C17 H15 Cl3 O3 -","- C68 H60 Cl12 O12 -","4","0.5","","Nechaev, Anton A.; Jagtap, Pratap R.; BaŽíková, Ema; Neumannová, Johana; Císařová, Ivana; Matoušová, Eliška","Synthesis of fused 1,2-naphthoquinones with cytotoxic activity using a one-pot three-step reaction.","Organic & biomolecular chemistry","2021","19","15","3434","3440","10.1039/d1ob00205h","","","1.54178","CuKα","","0.0482","0.0475","","","0.1255","0.1259","","","","","","1.165","","","","has coordinates","264963","2021-05-05","09:05:27",""
"7157979","16.9185","0.001","9.5036","0.0006","18.6989","0.0012","90","","143.599","0.001","90","","1784.2","0.2","120","2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl2 F N2 O4 -","- C18 H15 Cl2 F N2 O4 -","- C72 H60 Cl8 F4 N8 O16 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-catalyzed [3 + 2]-cycloaddition of α-halonitroalkenes with azomethine ylides: facile synthesis of multisubstituted pyrrolidines and pyrroles.","Organic & biomolecular chemistry","2021","19","15","3413","3427","10.1039/d1ob00146a","","","0.71073","MoKα","","0.0441","0.0361","","","0.0835","0.0885","","","","","","1.058","","","","has coordinates","264956","2021-05-05","09:04:27",""
"7157980","18.9549","0.0016","8.4866","0.0007","24.972","0.002","90","","92.897","0.001","90","","4011.9","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C192 H168 N8 O24 S8 -","8","1","","Lei, Lu; Liang, Yu-Feng; Liang, Cui; Qin, Jiang-Ke; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Copper(I)-catalyzed [4 + 2] cycloaddition of aza-<i>ortho</i>-quinone methides with bicyclic alkenes.","Organic & biomolecular chemistry","2021","19","15","3379","3383","10.1039/d1ob00319d","","","0.71073","MoKα","","0.0568","0.0394","","","0.1077","0.1217","","","","","","1.047","","","","has coordinates","264958","2021-05-05","09:04:40",""
"7157981","19.956","0.003","8.6435","0.0012","24.548","0.003","90","","93.934","0.002","90","","4224.3","1","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3.85 H3.23 N0.15 O0.46 S0.15 -","- C3.84615 H3.07692 N0.153846 O0.461538 S0.153846 -","- C200 H160 N8 O24 S8 -","52","6.5","","Lei, Lu; Liang, Yu-Feng; Liang, Cui; Qin, Jiang-Ke; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Copper(I)-catalyzed [4 + 2] cycloaddition of aza-<i>ortho</i>-quinone methides with bicyclic alkenes.","Organic & biomolecular chemistry","2021","19","15","3379","3383","10.1039/d1ob00319d","","","0.71073","MoKα","","0.083","0.0527","","","0.1938","0.2374","","","","","","0.906","","","","has coordinates","264958","2021-05-05","09:04:40",""
"7157982","13.9206","0.0006","9.0995","0.0004","14.8399","0.0006","90","","116.476","0.001","90","","1682.63","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H64 F4 N4 O4 -","- C88 H64 F4 N4 O4 -","- C88 H64 F4 N4 O4 -","1","0.25","","Ali, Saghir; Khan, Abu T.","Copper(ii) triflate catalyzed three-component reaction for the synthesis of 2,3-diarylquinoline derivatives using aryl amines, aryl aldehydes and styrene oxides.","Organic & biomolecular chemistry","2021","19","14","3255","3262","10.1039/d1ob00125f","","","0.71073","MoKα","","0.0948","0.0593","","","0.1456","0.1805","","","","","","0.883","","","","has coordinates","264953","2021-05-05","09:04:07",""
"7157983","10.0105","0.0003","11.3092","0.0004","19.085","0.0007","85.671","0.003","78.534","0.003","67.01","0.003","1949.31","0.12","282.72","0.1","282.72","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H43 Cl2 N2 P Ru -","- C41 H43 Cl2 N2 P Ru -","- C82 H86 Cl4 N4 P2 Ru2 -","2","1","","Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.","Organic & biomolecular chemistry","2021","19","15","3451","3461","10.1039/d1ob00362c","","x-ray","1.54184","CuKα","","0.0336","0.0301","","","0.0737","0.0759","","","","","","1.037","","","","has coordinates","264960","2021-05-05","09:05:09",""
"7157984","10.4412","0.0001","11.3932","0.0002","29.2341","0.0003","90","","90","","90","","3477.65","0.08","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C3.9 H3.79 Cl0.1 F0.62 N0.21 P0.21 Ru0.1 -","- C3.89744 H3.79487 Cl0.102564 F0.615385 N0.205128 P0.205128 Ru0.102564 -","- C152 H148 Cl4 F24 N8 P8 Ru4 -","39","9.75","","Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.","Organic & biomolecular chemistry","2021","19","15","3451","3461","10.1039/d1ob00362c","","x-ray","1.54184","CuKα","","0.0329","0.0315","","","0.0823","0.0836","","","","","","1.037","","","","has coordinates","264960","2021-05-05","09:05:11",""
"7157985","12.9079","0.0002","14.7545","0.0002","35.0697","0.0004","90","","95.042","0.001","90","","6653.17","0.16","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C H Cl F N P Ru -","- C4.25806 H4.51613 Cl0.129032 F0.387097 N0.258065 P0.193548 Ru0.129032 -","- C264 H280 Cl8 F24 N16 P12 Ru8 -","62","7.75","","Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.","Organic & biomolecular chemistry","2021","19","15","3451","3461","10.1039/d1ob00362c","","x-ray","1.54184","CuKα","","0.0442","0.0416","","","0.11","0.1124","","","","","","1.065","","","","has coordinates","264960","2021-05-05","09:05:11",""
"7157986","9.2203","0.0003","15.9604","0.0005","13.5514","0.0004","90","","97.921","0.001","90","","1975.19","0.11","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cl N2 S -","- C24 H17 Cl N2 S -","- C96 H68 Cl4 N8 S4 -","4","1","","Gupta, Prince Kumar; Yadav, Arvind Kumar; Sharma, Anup Kumar; Singh, Krishna Nand","Iodine-catalyzed thioallylation of indoles using Bunte salts prepared from Baylis-Hillman bromides.","Organic & biomolecular chemistry","2021","19","15","3484","3488","10.1039/d1ob00377a","","","0.71073","MoKα","","0.073","0.0511","","","0.0861","0.0953","","","","","","1.09","","","","has coordinates","264965","2021-05-05","09:05:39",""
"7157987","9.6907","0.0012","10.3979","0.001","11.4082","0.0013","88.986","0.009","65.263","0.011","80.064","0.009","1026.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br N O3 S -","- C22 H18 Br N O3 S -","- C44 H36 Br2 N2 O6 S2 -","2","1","","Yang, Lei; Zhou, Shun; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang; Yuan, Wei-Cheng","A cascade deprotonation/intramolecular aldol reaction of α-carbonyl sulfonium ylides with 2-mercaptoindole-3-carbaldehydes and 2-mercaptobenzaldehydes to access thieno[2,3-<i>b</i>]indoles and benzothiophenes.","Organic & biomolecular chemistry","2021","19","16","3678","3686","10.1039/d1ob00349f","","x-ray","1.54184","CuKα","","0.049","0.0401","","","0.1026","0.1104","","","","","","1.03","","","","has coordinates","264943","2021-05-05","09:02:44",""
"7157988","8.4413","0.0011","8.917","0.0013","9.0986","0.0011","95.122","0.005","107.332","0.005","113.574","0.004","581.96","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O4 S -","- C11 H12 N2 O4 S -","- C22 H24 N4 O8 S2 -","2","1","","Liu, Xue; Wang, Jingjing; Wu, Ziyan; Li, Feng; Gao, Kexin; Peng, Fanyang; Wang, Junjie; Shen, Renzeng; Zhou, Yao; Liu, Lantao","An organophotoredox-catalyzed C(sp<sup>2</sup>)-N cross coupling reaction of cyclic aldimines with cyclic aliphatic amines.","Organic & biomolecular chemistry","2021","19","16","3595","3600","10.1039/d1ob00223f","","","0.71073","MoKα","","0.0421","0.0321","","","0.0832","0.0888","","","","","","1.048","","","","has coordinates","264941","2021-05-05","09:02:34",""
"7157989","6.7354","0.0001","18.2897","0.0002","19.0257","0.0002","90","","90","","90","","2343.75","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Br N2 O4 S -","- C25 H19 Br N2 O4 S -","- C100 H76 Br4 N8 O16 S4 -","4","1","","Chang, Li; Zhu, Guang-Yu; Yang, Ting; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin","Organocatalytic asymmetric formal [3 + 2] cycloaddition reaction of isocyanoacetates with saccharin-derived 1-azadienes.","Organic & biomolecular chemistry","2021","19","16","3687","3697","10.1039/d1ob00115a","","x-ray","1.54184","CuKα","","0.0499","0.0488","","","0.1277","0.1286","","","","","","1.036","","","","has coordinates","264940","2021-05-05","09:02:29",""
"7157990","9.9842","0.0004","10.3171","0.0003","17.4171","0.0007","76.458","0.001","89.873","0.001","70.481","0.001","1638.32","0.11","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 F3 O3 S -","- C17 H15 F3 O3 S -","- C68 H60 F12 O12 S4 -","4","2","","Sun, Tao; He, Shijun; Xu, Zhongliang; Zuo, Jianping; Yu, Yang; Yang, Weibo","Rh-Catalyzed C-H alkylation enabling modular synthesis of CF<sub>3</sub>-substituted benzannulated macrocyclic inhibitors of B cell responses.","Organic & biomolecular chemistry","2021","19","16","3589","3594","10.1039/d1ob00296a","","","0.71073","MoKα","","0.0899","0.0508","","","0.1388","0.1778","","","","","","1.049","","","","has coordinates","264942","2021-05-05","09:02:39",""
"7157991","17.663","0.006","7.822","0.003","29.714","0.01","90","","90","0.007","90","","4105","3","273.15","","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H42 N6 O4 S2 -","- C42 H42 N6 O4 S2 -","- C168 H168 N24 O16 S8 -","4","1","","Zhao, Yu; Li, Li; Zhou, Zitong; Chen, Man; Yang, Weiguang; Luo, Hui","Copper catalyzed five-component domino strategy for the synthesis of nicotinimidamides.","Organic & biomolecular chemistry","2021","19","17","3868","3872","10.1039/d1ob00162k","","","0.71073","MoKα","","0.1783","0.0958","","","0.2247","0.2679","","","","","","0.973","","","","has coordinates","266158","2021-06-05","19:27:14",""
"7157992","19.019","0.002","19.073","0.002","10.6129","0.0011","90","","95.402","0.006","90","","3832.7","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N3 O2 S2 -","- C21 H17 N3 O2 S2 -","- C168 H136 N24 O16 S16 -","8","1","","Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing","NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.","Organic & biomolecular chemistry","2021","19","17","3932","3939","10.1039/d1ob00438g","","","0.71073","MoKα","","0.1024","0.0773","","","0.1814","0.1997","","","","","","1.084","","","","has coordinates","266156","2021-06-05","19:26:56",""
"7157993","7.1506","0.0002","10.5088","0.0003","15.9913","0.0004","102.89","0.001","98.917","0.001","106.16","0.001","1094.43","0.05","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N5 O4 S -","- C23 H23 N5 O4 S -","- C46 H46 N10 O8 S2 -","2","1","","Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing","NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.","Organic & biomolecular chemistry","2021","19","17","3932","3939","10.1039/d1ob00438g","","","0.71073","MoKα","","0.0441","0.0375","","","0.0885","0.0937","","","","","","1.037","","","","has coordinates","266156","2021-06-05","19:26:56",""
"7157994","13.8799","0.0008","14.913","0.0008","14.9991","0.0007","106.397","0.002","108.593","0.002","108.531","0.002","2523.1","0.2","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H37 Cl3 F9 N9 S3 -","- C49 H37 Cl3 F9 N9 S3 -","- C98 H74 Cl6 F18 N18 S6 -","2","1","","Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing","NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.","Organic & biomolecular chemistry","2021","19","17","3932","3939","10.1039/d1ob00438g","","","0.71073","MoKα","","0.085","0.0712","","","0.1744","0.1828","","","","","","1.106","","","","has coordinates,has disorder","266156","2021-06-05","19:26:56",""
"7157995","9.2271","0.0003","17.1809","0.0005","15.5673","0.0005","90","","103.803","0.001","90","","2396.61","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 N O6 -","- C25 H35 N O6 -","- C100 H140 N4 O24 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0386","0.0365","","","0.0871","0.0888","","","","","","1.039","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7157996","16.2391","0.0004","16.2391","0.0004","5.8098","0.0002","90","","90","","90","","1532.09","0.08","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0294","0.0287","","","0.0725","0.0732","","","","","","1.062","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7157997","14.5546","0.0004","19.3096","0.0006","8.6608","0.0003","90","","94.446","0.001","90","","2426.74","0.13","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0289","0.0287","","","0.0877","0.0882","","","","","","0.829","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7157998","15.3793","0.0004","19.2972","0.0005","8.5773","0.0002","90","","99.046","0.001","90","","2513.89","0.11","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H37 N O7 -","- C26 H37 N O7 -","- C104 H148 N4 O28 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0305","0.0305","","","0.0941","0.0941","","","","","","0.911","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7157999","10.8932","0.0002","17.0966","0.0003","39.2989","0.0007","90","","90","","90","","7318.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C300 H420 N12 O84 -","12","3","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0353","0.0328","","","0.0821","0.084","","","","","","1.023","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158000","10.5703","0.0002","18.2177","0.0004","13.5717","0.0003","90","","98.191","0.001","90","","2586.79","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","2","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0285","0.0282","","","0.0727","0.0731","","","","","","1.04","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158001","10.8971","0.0002","17.1101","0.0003","39.2778","0.0007","90","","90","","90","","7323.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C300 H420 N12 O84 -","12","3","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0288","0.0282","","","0.075","0.0756","","","","","","1.032","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158002","9.847","0.0006","17.2006","0.0014","16.0137","0.0009","90","","106.046","0.006","90","","2606.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O4 S2 -","- C29 H24 N2 O4 S2 -","- C116 H96 N8 O16 S8 -","4","1","","Liu, Huahua; Wei, Li; Chen, Zhiyuan","One-pot multi-step cascade protocols toward β-indolyl sulfoximidoyl amides <i>via</i> intermolecular trapping of an α-indolylpalladium complex by CO.","Organic & biomolecular chemistry","2021","19","15","3359","3369","10.1039/d1ob00128k","","","0.71073","MoKα","","0.0484","0.0414","","","0.1127","0.1181","","","","","","1.003","","","","has coordinates","264957","2021-05-05","09:04:33",""
"7158003","9.7336","0.0005","9.4426","0.0005","12.9051","0.0008","90","","90","","90","","1186.11","0.11","173","2","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H11 Br Cl N O -","- C11 H11 Br Cl N O -","- C44 H44 Br4 Cl4 N4 O4 -","4","1","","Hu, Yuanyuan; Wang, Zhen; Luo, Honggen; Jin, Hongwei; Liu, Yunkui; Zhou, Bingwei","NHC-catalyzed Truce-Smiles rearrangement of <i>N</i>-aryl methacrylamides for the synthesis of <i>trans</i>-cinnamides.","Organic & biomolecular chemistry","2021","19","17","3834","3837","10.1039/d1ob00443c","","","1.34139","GaKα","","0.0283","0.0278","","","0.0697","0.0702","","","","","","1.044","","","","has coordinates","266153","2021-06-05","19:26:27",""
"7158004","9.2734","0.0002","12.5056","0.0003","22.5981","0.0007","90","","90","","90","","2620.69","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Cl N4 O4 -","- C26 H29 Cl N4 O4 -","- C104 H116 Cl4 N16 O16 -","4","1","","Liu, Hui; Yan, Yingkun; Li, Min; Zhang, Xiaomei","An enantioselective aza-Friedel-Crafts reaction of 5-aminoisoxazoles with isatin-derived <i>N</i>-Boc ketimines.","Organic & biomolecular chemistry","2021","19","17","3820","3824","10.1039/d1ob00374g","","","1.54184","CuKα","","0.0522","0.0436","","","0.1121","0.1208","","","","","","1.037","","","","has coordinates","266157","2021-06-05","19:27:08",""
"7158006","7.9229","0.0015","9.4474","0.0019","20.875","0.004","90","","90","","90","","1562.5","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1(2H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra","Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.","Organic & biomolecular chemistry","2021","19","17","3901","3910","10.1039/d1ob00314c","","","0.71073","MoKα","","0.0769","0.0566","","","0.1515","0.18","","","","","","1.036","","","","has coordinates","266152","2021-06-05","19:26:21",""
"7158007","6.251","0.0002","18.8202","0.0006","14.227","0.0005","90","","98.706","0.003","90","","1654.45","0.1","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","conjugated triene","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra","Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.","Organic & biomolecular chemistry","2021","19","17","3901","3910","10.1039/d1ob00314c","","x-ray","0.71073","MoKα","","0.0836","0.0761","","","0.2068","0.2139","","","","","","1.082","","","","has coordinates","266152","2021-06-05","19:26:21",""
"7158008","5.712","0.0001","10.0398","0.0002","21.6602","0.0003","84.51","0.002","87.428","0.002","78.784","0.002","1212.4","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C62 H50 N2 O6 -","2","1","","Guranova, Natalia; Golubev, Pavel; Bakulina, Olga; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail","Unexpected formal [4 + 2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1<i>H</i>)-ones.","Organic & biomolecular chemistry","2021","19","17","3829","3833","10.1039/d1ob00534k","","","1.54184","CuKα","","0.0526","0.0451","","","0.1198","0.1258","","","","","","1.041","","","","has coordinates","266155","2021-06-05","19:26:48",""
"7158009","10.602","0.0003","11.2205","0.0003","13.0016","0.0002","95.41","0.002","112.439","0.002","115.598","0.003","1225.34","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21.33 H18 N0.67 O2 -","- C21.3333 H18 N0.666667 O2 -","- C64 H54 N2 O6 -","3","1.5","","Guranova, Natalia; Golubev, Pavel; Bakulina, Olga; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail","Unexpected formal [4 + 2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1<i>H</i>)-ones.","Organic & biomolecular chemistry","2021","19","17","3829","3833","10.1039/d1ob00534k","","","1.54184","CuKα","","0.0467","0.0414","","","0.1105","0.1142","","","","","","1.055","","","","has coordinates","266155","2021-06-05","19:26:48",""
"7158010","10.301","0.002","6.87","0.001","29.971","0.006","90","","97.272","0.003","90","","2103.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C108 H76 N4 O12 -","4","1","","Pirovano, Valentina; Brambilla, Elisa; Riva, Marika; Leoni, Sara; Rizzato, Silvia; Garanzini, Davide; Abbiati, Giorgio; Rossi, Elisabetta","Stereoselective synthesis of 2-spirocyclopropyl-indolin-3-ones through cyclopropanation of aza-aurones with tosylhydrazones.","Organic & biomolecular chemistry","2021","19","17","3925","3931","10.1039/d1ob00076d","","x-ray","0.71073","MoKα","","0.0842","0.0561","","","0.1359","0.1491","","","","","","1.042","","","","has coordinates","266154","2021-06-05","19:26:32",""
"7158011","14.1551","0.0003","9.5932","0.0003","13.369","0.0006","90","","90","","90","","1815.41","0.11","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H26 N2 -","- C23 H26 N2 -","- C92 H104 N8 -","4","0.5","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0671","0.0595","","","0.1793","0.186","","","","","","1.098","","","","has coordinates","266172","2021-06-05","19:29:17",""
"7158012","19.6128","0.0009","12.3072","0.0006","9.3607","0.0005","90","","90","","90","","2259.47","0.19","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H22 Br2 O6 -","- C23 H22 Br2 O6 -","- C92 H88 Br8 O24 -","4","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0421","0.038","","","0.1015","0.1054","","","","","","1.047","","","","has coordinates,has disorder","266172","2021-06-05","19:29:17",""
"7158013","8.8647","0.0005","10.0294","0.0006","11.7597","0.0005","110.64","0.005","90.771","0.004","112.601","0.005","889.76","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 Cl2 N2 -","- C21 H20 Cl2 N2 -","- C42 H40 Cl4 N4 -","2","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0567","0.0486","","","0.1441","0.1501","","","","","","1.063","","","","has coordinates","266172","2021-06-05","19:29:17",""
"7158014","5.5415","0.0002","10.2343","0.0005","21.638","0.001","86.297","0.004","89.697","0.004","87.381","0.004","1223.32","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H30 N2 -","- C33 H30 N2 -","- C66 H60 N4 -","2","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0842","0.0648","","","0.1837","0.2001","","","","","","1.052","","","","has coordinates","266172","2021-06-05","19:29:17",""
"7158015","7.9071","0.0006","8.9267","0.0005","11.6792","0.0007","86.424","0.005","84.971","0.006","85.252","0.006","817.11","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 F2 N2 -","- C21 H20 F2 N2 -","- C42 H40 F4 N4 -","2","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0695","0.0605","","","0.1768","0.1855","","","","","","1.092","","","","has coordinates","266172","2021-06-05","19:29:17",""
"7158016","6.517","0.0004","10.4112","0.0007","15.8832","0.001","90","","97.934","0.002","90","","1067.36","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","14","Nordiamantane carboxylic acid","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Zonker, Benjamin; Becker, Jonathan; Hrdina, Radim","Synthesis of noradamantane derivatives by ring-contraction of the adamantane framework.","Organic & biomolecular chemistry","2021","19","18","4027","4031","10.1039/d1ob00471a","","","0.71073","MoKα","","0.0529","0.0424","","","0.1069","0.1145","","","","","","1.051","","","","has coordinates","266169","2021-06-05","19:28:58",""
"7158017","16.845","0.002","7.2075","0.0011","9.0263","0.0013","90","","104.89","0.006","90","","1059.1","0.3","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N2 S -","- C10 H16 N2 S -","- C40 H64 N8 S4 -","4","1","","Xiang, Lingling; Wu, Haiting; Liang, Yunshi; Deng, Huiying; He, Yiting; Xu, Qin; Zhang, Jing","Ag(I)-Catalyzed rapid access to 2-amino-4-methylenethiazolines with potential applications in bioconjugation chemistry.","Organic & biomolecular chemistry","2021","19","18","4060","4066","10.1039/d1ob00464f","","","1.34139","GaKα","","0.0536","0.0454","","","0.1238","0.1306","","","","","","1.121","","","","has coordinates","266174","2021-06-05","19:29:39",""
"7158018","8.4613","0.0005","11.5857","0.0007","20.5398","0.0013","105.707","0.004","100.475","0.004","90.015","0.004","1903.4","0.2","190","","190","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C80 H80 N16 S8 -","8","4","","Xiang, Lingling; Wu, Haiting; Liang, Yunshi; Deng, Huiying; He, Yiting; Xu, Qin; Zhang, Jing","Ag(I)-Catalyzed rapid access to 2-amino-4-methylenethiazolines with potential applications in bioconjugation chemistry.","Organic & biomolecular chemistry","2021","19","18","4060","4066","10.1039/d1ob00464f","","","1.34139","GaKα","","0.1374","0.0625","","","0.1331","0.1614","","","","","","1.045","","","","has coordinates","266174","2021-06-05","19:29:40",""
"7158019","7.7449","0.0012","16.862","0.003","21.49","0.003","90","","90","","90","","2806.5","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H10 I N O3 -","- C15 H10 I N O3 -","- C120 H80 I8 N8 O24 -","8","1","","Zhuang, Shi-Yi; Tang, Yong-Xing; Chen, Xiang-Long; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>-DMSO mediated oxidative amidation of methyl ketones with anthranils for the synthesis of α-ketoamides.","Organic & biomolecular chemistry","2021","19","19","4258","4262","10.1039/d1ob00468a","","","0.71073","MoKα","","0.0835","0.0398","","","0.1079","0.1349","","","","","","0.992","","","","has coordinates","266160","2021-06-05","19:27:39",""
"7158020","20.7942","0.0007","11.5133","0.0003","21.0097","0.0007","90","","117.4","0.0011","90","","4465.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 N4 O8 S2 -","- C48 H52 N4 O8 S2 -","- C192 H208 N16 O32 S8 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0984","0.0582","","","0.1448","0.1677","","","","","","1.038","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158021","10.9256","0.0006","19.212","0.0012","12.467","0.0008","90","","108.176","0.004","90","","2486.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 O4 S -","- C28 H28 N2 O4 S -","- C112 H112 N8 O16 S4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0842","0.0439","","","0.0961","0.1158","","","","","","1.026","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158022","10.5135","0.0009","19.334","0.0017","9.35","0.0008","90","","114.646","0.003","90","","1727.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C76 H80 N8 O8 S4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0873","0.0485","","","0.0944","0.1131","","","","","","0.981","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158023","10.7975","0.0004","15.5298","0.0005","13.53","0.0005","90","","111.241","0.0013","90","","2114.62","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 O4 S -","- C23 H24 N2 O4 S -","- C92 H96 N8 O16 S4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0501","0.0373","","","0.0938","0.1031","","","","","","1.02","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158024","14.0275","0.0005","9.3309","0.0003","18.6042","0.0007","90","","101.919","0.0014","90","","2382.59","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N2 O5 P -","- C26 H25 N2 O5 P -","- C104 H100 N8 O20 P4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0478","0.0365","","","0.0939","0.1029","","","","","","1.048","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158025","8.5936","0.0002","9.1593","0.0002","11.8002","0.0003","97.475","0.001","95.711","0.001","98.379","0.001","904.42","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N2 O4 S -","- C19 H26 N2 O4 S -","- C38 H52 N4 O8 S2 -","2","1","","Ilari, Denise; Maskri, Sarah; Schepmann, Dirk; Köhler, Jens; Daniliuc, Constantin G.; Koch, Oliver; Wünsch, Bernhard","Diastereoselective synthesis of conformationally restricted KOR agonists.","Organic & biomolecular chemistry","2021","19","18","4082","4099","10.1039/d1ob00398d","","","1.54178","CuKα","","0.0334","0.0325","","","0.0834","0.0842","","","","","","1.048","","","","has coordinates","266176","2021-06-05","19:29:50",""
"7158026","17.858","0.003","7.985","0.002","24.624","0.006","90","","92.493","0.018","90","","3508","1.4","200","140","200","140","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 N4 O9 -","- C34 H49 N4 O9 -","- C136 H196 N16 O36 -","4","1","","Liu, Jin-Yu; Sun, Xue-Yi; Tang, Quan; Song, Jun-Jie; Li, Xiao-Qi; Gong, Bing; Liu, Rui; Lu, Zhong-Lin","An unnatural tripeptide structure containing intramolecular double H-bonds mimics a turn hairpin conformation.","Organic & biomolecular chemistry","2021","19","19","4359","4363","10.1039/d1ob00526j","","x-ray","1.54184","CuKα","","0.2419","0.1929","","","0.5026","0.5656","","","","","","2.084","","","","has coordinates","266164","2021-06-05","19:28:10",""
"7158027","8.755","0.003","9.844","0.003","10.982","0.004","111.2","0.012","98.323","0.012","105.109","0.011","821.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","1","","Ramu, Gopathi; Kodiripaka, Bheeshma Geetanjali; Raga Chaitanya, Kalakonda; Nagendra Babu, Bathini","A facile and metal-free domino reaction of TsDAM and 2-alkenylarylaldehyde: An easy access to 8-hydroxy-2,8-dihydro indeno [2,1-<i>c</i>]pyrazoles.","Organic & biomolecular chemistry","2021","19","18","4118","4125","10.1039/d1ob00262g","","","0.71073","MoKα","","0.0633","0.0482","","","0.1203","0.1386","","","","","","1.046","","","","has coordinates","266170","2021-06-05","19:29:03",""
"7158028","12.5334","0.0011","9.3516","0.0008","17.836","0.0015","90","","90","","90","","2090.5","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Natho, Philipp; Yang, Zeyu; Allen, Lewis A. T.; Rey, Juliette; White, Andrew J. P.; Parsons, Philip J.","An entry to 2-(cyclobut-1-en-1-yl)-1<i>H</i>-indoles through a cyclobutenylation/deprotection cascade.","Organic & biomolecular chemistry","2021","19","18","4048","4053","10.1039/d1ob00430a","","","0.71073","MoKα","","0.0916","0.0415","","","0.086","0.0951","","","","","","0.883","","","","has coordinates","266175","2021-06-05","19:29:45",""
"7158029","8.83667","0.00015","12.0256","0.0002","12.1039","0.0002","83.6482","0.0015","74.9958","0.0016","70.8882","0.0016","1173.43","0.04","293","","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C26 H23 N2 O4 P -","- C26 H23 N2 O4 P -","- C52 H46 N4 O8 P2 -","2","1","","Devi, Lalita; Sharma, Gaurav; Kant, Ruchir; Shukla, Sanjeev K.; Rastogi, Namrata","Regioselective synthesis of functionalized pyrazole-chalcones <i>via</i> a base mediated reaction of diazo compounds with pyrylium salts.","Organic & biomolecular chemistry","2021","19","18","4132","4136","10.1039/d1ob00274k","","","1.54184","CuKα","","0.0819","0.0753","","","0.2085","0.2172","","","","","","1.067","","","","has coordinates","266171","2021-06-05","19:29:08",""
"7158030","14.0152","0.0003","32.06","0.0007","27.4484","0.0005","90","","101.878","0.0018","90","","12069.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C120 H134 Fe2 N24 O24 -","- C120 H134 Fe2 N24 O24 -","- C480 H536 Fe8 N96 O96 -","4","1","","Liu, Ya-Zhou; Mu, Xiao; Chan, Cheih-Kai; Robeyns, Koen; Wang, Cheng-Chung; Singleton, Michael L.","Water binding stabilizes stacked conformations of ferrocene containing sheet-like aromatic oligoamides.","Organic & biomolecular chemistry","2021","19","25","5521","5524","10.1039/d1ob00580d","","","0.71073","MoKα","","0.1062","0.0638","","","0.1532","0.1741","","","","","","1.073","","","","has coordinates,has disorder","267242","2021-07-05","18:13:30",""
"7158031","9.17","0.014","29.3","0.04","9.624","0.015","90","","94.36","0.02","90","","2578","7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl3 N O5 -","- C29 H22 Cl3 N O5 -","- C116 H88 Cl12 N4 O20 -","4","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","0.71073","MoKα","","0.12","0.0599","","","0.1314","0.158","","","","","","1.029","","","","has coordinates","266163","2021-06-05","19:28:03",""
"7158032","9.944","0.0006","10.1014","0.0005","11.6132","0.0006","79.844","0.002","79.371","0.002","84.323","0.002","1125.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 N O5 S -","- C28 H21 N O5 S -","- C56 H42 N2 O10 S2 -","2","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","0.71073","MoKα","","0.0768","0.0503","","","0.1314","0.1532","","","","","","0.91","","","","has coordinates","266163","2021-06-05","19:28:03",""
"7158033","9.427","0.0005","10.2071","0.0006","13.7551","0.0008","76.432","0.002","74.927","0.002","79.643","0.002","1232.36","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N O6 S -","- C29 H23 N O6 S -","- C58 H46 N2 O12 S2 -","2","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","1.54178","CuKα","","0.0398","0.0364","","","0.0911","0.0937","","","","","","1.031","","","","has coordinates","266163","2021-06-05","19:28:03",""
"7158034","9.8464","0.0015","16.367","0.002","14.348","0.002","90","","94.553","0.006","90","","2305","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cl N O5 -","- C28 H20 Cl N O5 -","- C112 H80 Cl4 N4 O20 -","4","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","0.71073","MoKα","","0.0583","0.0416","","","0.0881","0.0954","","","","","","1.051","","","","has coordinates","266163","2021-06-05","19:28:03",""
"7158035","23.452","0.005","4.5449","0.0009","22.939","0.005","90","","111.31","0.03","90","","2277.8","0.9","210","2","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","methyl 8-bromo-2-oxo-2,3-dihydro-1H-benzo[b]azepine-4-carboxylate","","- C12 H10 Br N O3 -","- C12 H10 Br N O3 -","- C96 H80 Br8 N8 O24 -","8","1","","Krause, Andreas; Sperlich, Eric; Schmidt, Bernd","Matsuda-Heck arylation of itaconates: a versatile approach to heterocycles from a renewable resource.","Organic & biomolecular chemistry","2021","19","19","4292","4302","10.1039/d1ob00392e","","","0.71073","MoKα","","0.063","0.0382","","","0.0869","0.0983","","","","","","1.038","","","","has coordinates","266159","2021-06-05","19:27:32",""
"7158036","29.6153","0.0012","4.8689","0.0001","20.5","0.0009","90","","104.698","0.003","90","","2859.25","0.18","210","2","210","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(E)-2-(4-methoxybenzylidene)-4-isopropoxy-4-oxobutanoic acid","","- C15 H18 O5 -","- C15 H18 O5 -","- C120 H144 O40 -","8","1","","Krause, Andreas; Sperlich, Eric; Schmidt, Bernd","Matsuda-Heck arylation of itaconates: a versatile approach to heterocycles from a renewable resource.","Organic & biomolecular chemistry","2021","19","19","4292","4302","10.1039/d1ob00392e","","","0.71073","MoKα","","0.0564","0.0415","","","0.1129","0.1204","","","","","","1.07","","","","has coordinates,has disorder","266159","2021-06-05","19:27:33",""
"7158037","10.73","0.004","9.218","0.003","16.091","0.006","90","","95.635","0.007","90","","1583.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C76 H60 Br4 N8 O4 -","4","1","","Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin","Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides.","Organic & biomolecular chemistry","2021","19","19","4268","4271","10.1039/d1ob00590a","","","0.71073","MoKα","","0.0737","0.0416","","","0.0812","0.0885","","","","","","1.03","","","","has coordinates","266162","2021-06-05","19:27:52",""
"7158038","11.7732","0.0005","7.7539","0.0003","15.9751","0.0007","90","","104.728","0.004","90","","1410.42","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br N2 O -","- C18 H11 Br N2 O -","- C72 H44 Br4 N8 O4 -","4","1","","Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin","Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides.","Organic & biomolecular chemistry","2021","19","19","4268","4271","10.1039/d1ob00590a","","x-ray","1.54184","CuKα","","0.0943","0.0845","","","0.2077","0.2305","","","","","","1.045","","","","has coordinates","266162","2021-06-05","19:27:53",""
"7158039","8.8361","0.001","8.2497","0.0008","21.719","0.002","90","","96.488","0.011","90","","1573.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin","Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides.","Organic & biomolecular chemistry","2021","19","19","4268","4271","10.1039/d1ob00590a","","x-ray","0.71073","MoKα","","0.0714","0.0485","","","0.1378","0.1575","","","","","","1.042","","","","has coordinates","266162","2021-06-05","19:27:53",""
"7158040","8.16","0.0016","5.6","0.0011","27.7","0.006","90","","94","0.03","90","","1262.7","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-phenyl-1H-pyrano[4,3-b]quinolin-1-one","","- C18 H11 N O2 -","- C18 H11 N O2 -","- C72 H44 N4 O8 -","4","1","","Ansari, Farzaneh; Khosravi, Hormoz; Abbasi Kejani, Alireza; Armaghan, Mahsa; Frank, Walter; Balalaie, Saeed; Jafarpour, Farnaz","Transition-metal-free oxidative cyclization reaction of enynals to access pyrane-2-one derivatives.","Organic & biomolecular chemistry","2021","19","19","4263","4267","10.1039/d1ob00726b","","","0.71073","MoKα","","0.1256","0.0928","","","0.1455","0.155","","","","","","1.331","","","","has coordinates","266165","2021-06-05","19:28:16",""
"7158041","6.2023","0.0013","11.202","0.002","16.755","0.004","90","","90","","90","","1164.1","0.4","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br O2 -","- C14 H9 Br O2 -","- C56 H36 Br4 O8 -","4","1","","Xu, Si-Yu; Zhang, Rui; Zhang, Shu-Sheng; Feng, Chen-Guo","Enantioselective synthesis of 3-aryl-phthalides through a nickel-catalyzed stereoconvergent cross-coupling reaction.","Organic & biomolecular chemistry","2021","19","20","4492","4496","10.1039/d1ob00487e","","","0.71073","MoKα","","0.1044","0.0396","","","0.0676","0.0845","","","","","","0.987","","","","has coordinates","266167","2021-06-05","19:28:29",""
"7158042","24.164","0.0005","9.5229","0.0002","15.7986","0.0003","90","","116.639","0.001","90","","3249.53","0.12","173","2","172.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl2 O2 P2 Ru -","- C37 H32 Cl2 O2 P2 Ru -","- C148 H128 Cl8 O8 P8 Ru4 -","4","0.5","","Li, Chen; Ge, Min-Tong; Bai, Liang; Xia, Ai-Bao; Xu, Dan-Qian; Xu, Zhen-Yuan","Direct <i>N</i>-alkylation of sulfur-containing amines.","Organic & biomolecular chemistry","2021","19","20","4478","4482","10.1039/d1ob00368b","","","1.34139","GaKα","","0.031","0.0304","","","0.0804","0.0808","","","","","","1.059","","","","has coordinates,has disorder","266166","2021-06-05","19:28:24",""
"7158043","22.5105","0.0008","6.8064","0.0002","20.6235","0.0007","90","","117.157","0.001","90","","2811.5","0.16","120","","120","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H9 N O -","- C8 H9.00025 N O -","- C128 H144.004 N16 O16 -","16","2","","Luo, Liangliang; Chen, Xiao-Pan; Li, Zhao-Feng; Zhou, Yuan; Xiao, You-Cai; Chen, Fen-Er","Palladium(II)-catalyzed aerobic oxidative O-H/C-H isocyanide insertion: facile access to pyrrolo[2,1-<i>c</i>][1,4]benzoxazine derivatives.","Organic & biomolecular chemistry","2021","19","19","4364","4368","10.1039/d1ob00393c","","","0.71073","MoKα","","0.0923","0.0555","","","0.1228","0.1449","","","","","","1.018","","","","has coordinates,has disorder","266161","2021-06-05","19:27:46",""
"7158044","8.703","0.013","9.329","0.014","14.17","0.02","94.13","0.03","91.26","0.03","90.13","0.02","1147","3","223","","223","","","","","","","","","4","P 1","P 1","1","","","","- C24 H31 Br O5 -","- C24 H32 Br O5 -","- C48 H64 Br2 O10 -","2","2","","Nakamura, Tenma; Pitna, Dinda B.; Kimura, Kogaku; Yoshimoto, Yukiko; Uchiyama, Tomoya; Mori, Takaya; Kondo, Ryosuke; Hara, Shihori; Egoshi, Yuki; Yamaguchi, Shoya; Suzuki, Noriyuki; Suzuki, Yumiko; Usuki, Toyonobu","Total synthesis of cynaropicrin.","Organic & biomolecular chemistry","2021","19","27","6038","6044","10.1039/d1ob00657f","","","0.71073","MoKα","","0.1182","0.0737","","","0.187","0.2234","","","","","","0.935","","","","has coordinates","268917","2021-09-06","12:24:05",""
"7158045","11.179","0.003","18.388","0.004","19.517","0.004","90","","90","","90","","4011.9","1.6","110","2","110","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H20 Cl8 F4 O4 Sb2 -","- C42 H20 Cl8 F4 O4 Sb2 -","- C168 H80 Cl32 F16 O16 Sb8 -","4","0.5","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0296","0.0272","","","0.0662","0.0676","","","","","","1.148","","","","has coordinates","267229","2021-07-05","18:10:56",""
"7158046","8.8626","0.0012","11.4164","0.0015","12.8227","0.0017","96.74","0.002","92.201","0.002","91.203","0.002","1287","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","none","","","- C32 H15 F8 O2 Sb -","- C32 H15 F8 O2 Sb -","- C64 H30 F16 O4 Sb2 -","2","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0253","0.0228","","","0.0558","0.0571","","","","","","1.057","","","","has coordinates","267229","2021-07-05","18:10:57",""
"7158047","21.576","","13.045","","24.513","","90","","105.31","","90","","6654.55","","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H56 F21 N O4 Sb2 -","- C74 H56 F21 N O4 Sb2 -","- C296 H224 F84 N4 O16 Sb8 -","4","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0314","0.0223","","","0.0455","0.0486","","","","","","1.039","","","","has coordinates","267229","2021-07-05","18:10:57",""
"7158048","43.782","0.013","12.384","0.003","24.941","0.007","90","","96.702","0.006","90","","13431","6","110","2","110.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73.95 H59 F16.97 N O4 Sb2 -","- C73.944 H59 F16.968 N O4 Sb2 -","- C591.552 H472 F135.744 N8 O32 Sb16 -","8","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0746","0.0475","","","0.1075","0.1228","","","","","","1.021","","","","has coordinates,has disorder","276322","2022-06-28","14:05:29",""
"7158049","10.646","0.01","12.039","0.012","22.8","0.02","88.953","0.012","89.387","0.011","81.84","0.011","2892","5","110","2","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H30 Cl6 F16 O4 Sb2 -","- C61 H30 Cl6 F16 O4 Sb2 -","- C122 H60 Cl12 F32 O8 Sb4 -","2","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0449","0.0334","","","0.0729","0.0791","","","","","","1.022","","","","has coordinates,has disorder","276322","2022-06-28","14:05:41",""
"7158050","29.7448","0.0012","10.3503","0.0004","31.5033","0.0013","90","","90","","90","","9698.8","0.7","100.15","","100.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C58 H20 F20 O4 Sb2 -","- C58 H20 F20 O4 Sb2 -","- C464 H160 F160 O32 Sb16 -","8","2","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.036","0.03","","","0.0728","0.0749","","","","","","1.156","","","","has coordinates","267229","2021-07-05","18:10:57",""
"7158051","11.3249","0.00016","10.11966","0.00012","11.47015","0.00015","90","","106.002","0.0014","90","","1263.59","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 F N2 O3 -","- C29 H29 F N2 O3 -","- C58 H58 F2 N4 O6 -","2","1","","Zhang, Chao; Wu, You-Cai; Cui, Bao-Dong; Li, Lian; Han, Wen-Yong; Wan, Nan-Wei; Chen, Yong-Zheng","Palladium-catalyzed asymmetric allylic alkylation of 3-aminooxindoles to access chiral homoallylic aminooxindoles.","Organic & biomolecular chemistry","2021","19","21","4720","4725","10.1039/d1ob00550b","","x-ray","1.54184","CuKα","","0.0274","0.0268","","","0.07","0.0709","","","","","","1.039","","","","has coordinates","266180","2021-06-05","19:30:19",""
"7158052","25.4371","0.0005","6.95612","0.00016","15.3764","0.0002","90","","99.685","0.0016","90","","2681.98","0.09","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H29 F N2 O3 -","- C29 H29 F N2 O3 -","- C116 H116 F4 N8 O12 -","4","1","","Zhang, Chao; Wu, You-Cai; Cui, Bao-Dong; Li, Lian; Han, Wen-Yong; Wan, Nan-Wei; Chen, Yong-Zheng","Palladium-catalyzed asymmetric allylic alkylation of 3-aminooxindoles to access chiral homoallylic aminooxindoles.","Organic & biomolecular chemistry","2021","19","21","4720","4725","10.1039/d1ob00550b","","x-ray","1.54184","CuKα","","0.0345","0.0325","","","0.0879","0.0907","","","","","","1.033","","","","has coordinates","266180","2021-06-05","19:30:19",""
"7158053","12.4146","0.0006","9.1711","0.0005","13.5882","0.0008","90","","105.086","0.005","90","","1493.77","0.14","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","2","","Nipate, Dhananjay S.; Shinde, Vikki N.; Rangan, Krishnan; Kumar, Anil","Switchable regioselective hydroalkylation of 2-arylindoles with maleimides.","Organic & biomolecular chemistry","2021","19","22","4910","4921","10.1039/d1ob00690h","","x-ray","1.54184","CuKα","","0.0903","0.0862","","","0.2693","0.2721","","","","","","1.094","","","","has coordinates","267233","2021-07-05","18:11:49",""
"7158054","15.2055","0.0018","17.986","0.002","8.4082","0.0011","90","","90","","90","","2299.5","0.5","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H28 O7 -","- C27 H28 O7 -","- C108 H112 O28 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi; Chen, Shin-Mei; Hsiao, Yu-Ting","Bsi(OTf)<sub>3</sub>-mediated tandem annulation of 1-aryl isochroman-3-ones with oxygenated arenes: one-pot synthesis of polyoxygenated homotriptycenes.","Organic & biomolecular chemistry","2021","19","21","4733","4742","10.1039/d1ob00606a","","","0.71073","MoKα","","0.1004","0.069","","","0.1332","0.1476","","","","","","1.053","","","","has coordinates","266179","2021-06-05","19:30:12",""
"7158055","11.9481","0.0008","15.6973","0.0009","12.0408","0.0007","90","","111.052","0.003","90","","2107.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F2 O6 -","- C25 H20 F2 O6 -","- C100 H80 F8 O24 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi; Chen, Shin-Mei; Hsiao, Yu-Ting","Bsi(OTf)<sub>3</sub>-mediated tandem annulation of 1-aryl isochroman-3-ones with oxygenated arenes: one-pot synthesis of polyoxygenated homotriptycenes.","Organic & biomolecular chemistry","2021","19","21","4733","4742","10.1039/d1ob00606a","","","0.71073","MoKα","","0.0725","0.0407","","","0.0917","0.1061","","","","","","1.004","","","","has coordinates","266179","2021-06-05","19:30:12",""
"7158056","9.4685","0.0005","12.8091","0.0007","17.304","0.001","90","","92.621","0.002","90","","2096.5","0.2","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H8 B F10 N O -","- C24 H8 B F10 N O -","- C96 H32 B4 F40 N4 O4 -","4","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0497","0.0392","","","0.1006","0.108","","","","","","1.041","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158057","11.1178","0.0006","12.3316","0.0006","15.8444","0.0008","83.703","0.002","89.331","0.002","89.752","0.002","2159.01","0.19","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H24 B2 F20 N2 -","- C50 H24 B2 F20 N2 -","- C100 H48 B4 F40 N4 -","2","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0603","0.047","","","0.1075","0.1199","","","","","","1.051","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158058","7.6108","0.0004","9.4314","0.0007","27.7355","0.0019","90","","94.802","0.002","90","","1983.9","0.2","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H8 B F10 N -","- C24 H8 B F10 N -","- C96 H32 B4 F40 N4 -","4","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0578","0.0455","","","0.1029","0.1087","","","","","","1.065","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158059","30.583","0.01","14.745","0.005","17.429","0.006","90","","122.794","0.012","90","","6607","4","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H36 B2 F20 N6 -","- C62 H36 B2 F20 N6 -","- C248 H144 B8 F80 N24 -","4","0.5","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0931","0.0613","","","0.146","0.167","","","","","","1.012","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158060","11.0755","0.001","11.2327","0.0011","18.6587","0.0018","90","","105.827","0.003","90","","2233.3","0.4","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B F10 N Si2 -","- C18 H18 B F10 N Si2 -","- C72 H72 B4 F40 N4 Si8 -","4","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0525","0.0466","","","0.105","0.1108","","","","","","1.06","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158061","6.1284","0.0003","13.2853","0.0008","34.731","0.003","90","","90","","90","","2827.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,6-bis(diphenylbismuthanyl)dibenzo[b,d]furan","","- C36 H26 Bi2 O -","- C36 H26 Bi2 O -","- C144 H104 Bi8 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","MoKα","","0.0374","0.0287","","","0.0571","0.0604","","","","","","1.069","","","","has coordinates","267231","2021-07-05","18:11:35",""
"7158062","9.0281","0.0004","12.188","0.0005","15.1195","0.0006","101.289","0.002","90.246","0.002","95.156","0.002","1624.47","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,6-bis(dichlorodiphenyl-l5-bismuthanyl)dibenzo[b,d]furan","","- C36 H26 Bi2 Cl4 O -","- C36 H26 Bi2 Cl4 O -","- C72 H52 Bi4 Cl8 O2 -","2","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0408","0.0262","","","0.0527","0.0566","","","","","","1.046","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158063","12.0198","0.0003","12.1771","0.0007","15.7796","0.0011","96.19","0.005","103.9","0.004","114.199","0.003","1988.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,6-bis(dichlorodiphenyl-λ^5^-bismuthanyl)-10,11-dihydrodibenzo[b,f]oxepine","","- C44 H36 Bi2 Cl4 O -","- C44 H36 Bi2 Cl4 O -","- C88 H72 Bi4 Cl8 O2 -","2","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","MoKα","","0.027","0.021","","","0.0436","0.0457","","","","","","1.072","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158064","10.6951","0.0017","10.8286","0.0012","13.7009","0.0008","83.462","0.006","88.592","0.009","79.178","0.012","1548.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,6-bis(diphenylbismuthanyl)-10,11-dihydrodibenzo[b,f]oxepine","","- C38 H30 Bi2 O -","- C38 H30 Bi2 O -","- C76 H60 Bi4 O2 -","2","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","MoKα","","0.0555","0.0314","","","0.0553","0.0613","","","","","","1.011","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158065","37.8761","0.0011","51.185","0.0017","6.6097","0.0002","90","","90","","90","","12814.1","0.7","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylbismuthane)","","- C39 H32 Bi2 O -","- C39 H32 Bi2 O -","- C624 H512 Bi32 O16 -","16","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.041","0.0288","","","0.0415","0.0437","","","","","","1.046","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158066","8.4334","0.0005","25.9105","0.0015","15.5944","0.0009","90","","91.06","0.002","90","","3407","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(oxybis(2,1-phenylene))bis(dichlorodiphenyl-λ^5^-bismuthane)","","- C36 H28 Bi2 Cl4 O -","- C36 H28 Bi2 Cl4 O -","- C144 H112 Bi8 Cl16 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0327","0.0253","","","0.0521","0.0542","","","","","","1.089","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158067","11.0777","0.0007","17.8599","0.0011","15.0585","0.0009","90","","92.997","0.002","90","","2975.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(oxybis(2,1-phenylene))bis(diphenylbismuthane)","","- C36 H28 Bi2 O -","- C36 H28 Bi2 O -","- C144 H112 Bi8 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0262","0.0187","","","0.033","0.0344","","","","","","1.038","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158068","12.3959","0.0006","13.9993","0.0006","21.7582","0.001","90","","100.772","0.002","90","","3709.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(dichlorodiphenyl-λ^5^-bismuthane)","","- C39.5 H33 Bi2 Cl5 O -","- C39.5 H33 Bi2 Cl5 O -","- C158 H132 Bi8 Cl20 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0196","0.016","","","0.0323","0.0339","","","","","","1.043","","","","has coordinates,has disorder","267231","2021-07-05","18:11:36",""
"7158069","9.495","0.004","15.107","0.007","12.403","0.006","90","","93.99","0.02","90","","1774.8","1.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H13 Br N2 O -","- C24 H13 Br N2 O -","- C96 H52 Br4 N8 O4 -","4","1","","Das, Sarasija; Choudhury, Anwesha; Mandal, Arnab; Kumar, Chandan; Ranjan Sahoo, Smruti; Bedi, Anjan; Shekhar Karmakar, Himadri; Gopal Ghosh, Nani; Dey, Somnath; Krishnan Iyer, Parameswar; Bhattacharyya, Sayan; Zade, Sanjio S.","An unconventional route to an ambipolar azaheterocycle and its <i>in situ</i> generated radical anion.","Organic & biomolecular chemistry","2021","19","23","5114","5120","10.1039/d1ob00826a","","","0.71073","MoKα","","0.1261","0.0488","","","0.0951","0.1207","","","","","","0.971","","","","has coordinates","267248","2021-07-05","18:14:36",""
"7158070","9.7636","0.0003","9.7605","0.0002","19.7943","0.0005","90","","94.084","0.002","90","","1881.56","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Br1.287 Cl0.713 N2 -","- C24 H14 Br1.287 Cl0.713 N2 -","- C96 H56 Br5.148 Cl2.852 N8 -","4","1","","Das, Sarasija; Choudhury, Anwesha; Mandal, Arnab; Kumar, Chandan; Ranjan Sahoo, Smruti; Bedi, Anjan; Shekhar Karmakar, Himadri; Gopal Ghosh, Nani; Dey, Somnath; Krishnan Iyer, Parameswar; Bhattacharyya, Sayan; Zade, Sanjio S.","An unconventional route to an ambipolar azaheterocycle and its <i>in situ</i> generated radical anion.","Organic & biomolecular chemistry","2021","19","23","5114","5120","10.1039/d1ob00826a","","x-ray","1.54184","CuKα","","0.0569","0.0543","","","0.0834","0.084","","","","3.41","3.41","3.33","","","","has coordinates","267248","2021-07-05","18:14:37",""
"7158071","9.8028","0.0004","11.5069","0.0005","12.8022","0.0006","65.998","0.003","84.345","0.003","84.332","0.003","1310.06","0.1","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N O -","- C33 H30.905 N O -","- C66 H61.81 N2 O2 -","2","1","","He, Yuan; Zheng, Ting; Huang, Yin-Hui; Dong, Lin","Rh(III)-Catalyzed olefination to build diverse oxazole derivatives from functional alkynes.","Organic & biomolecular chemistry","2021","19","22","4937","4942","10.1039/d1ob00507c","","","1.54178","CuKα","","0.0659","0.0556","","","0.1616","0.1707","","","","","","1.112","","","","has coordinates,has disorder","267236","2021-07-05","18:12:09",""
"7158072","5.6515","0.0012","8.034","0.002","12.082","0.003","81.886","0.008","88.585","0.009","73.865","0.009","521.6","0.2","140","2","140","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","1","1","","Biswas, Rayhan G.; Ray, Sumit K.; Kannaujiya, Vinod K.; Unhale, Rajshekhar A.; Singh, Vinod K.","Cu(I)-Catalyzed asymmetric <i>exo</i>-selective synthesis of substituted pyrrolidines <i>via</i> a 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2021","19","21","4685","4690","10.1039/d1ob00494h","","","0.71073","MoKα","","0.0922","0.0615","","","0.1341","0.1497","","","","","","0.926","","","","has coordinates","266178","2021-06-05","19:30:06",""
"7158073","7.6699","0.0015","11.185","0.002","14.839","0.003","97.37","0.03","95.12","0.03","94.17","0.03","1252.9","0.4","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 N O4 S -","- C31 H25 N O4 S -","- C62 H50 N2 O8 S2 -","2","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.061","0.0542","","","0.1092","0.1138","","","","","","1.081","","","","has coordinates,has disorder","267235","2021-07-05","18:12:02",""
"7158074","7.5652","0.0015","9.559","0.0019","32.515","0.007","90","","90","","90","","2351.3","0.8","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 S -","- C26 H23 N O4 S -","- C104 H92 N4 O16 S4 -","4","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.1505","0.1261","","","0.2985","0.3277","","","","","","1.142","","","","has coordinates","267235","2021-07-05","18:12:02",""
"7158075","9.734","0.0019","11.144","0.002","25.686","0.005","90","","90","","90","","2786.3","0.9","153","2","153.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 Cl N O6 S -","- C32 H26 Cl N O6 S -","- C128 H104 Cl4 N4 O24 S4 -","4","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.0663","0.0593","","","0.1026","0.1063","","","","","","1.111","","","","has coordinates","267235","2021-07-05","18:12:02",""
"7158076","8.3195","0.0003","18.8155","0.0008","30.0395","0.0015","90","","90","","90","","4702.2","0.4","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Br N4 O3 -","- C27 H23 Br N4 O3 -","- C216 H184 Br8 N32 O24 -","8","1","","Xu, Hui; Huang, Rong-Lu; Shu, Zhu; Hong, Ran; Zhang, Ze","Chemoselective synthesis of 5,4'-imidazolinyl spirobarbiturates <i>via</i> NBS-promoted cyclization of unsaturated barbiturates and amidines.","Organic & biomolecular chemistry","2021","19","22","4978","4985","10.1039/d1ob00508a","","","0.71073","MoKα","","0.0436","0.0324","","","0.0745","0.0796","","","","","","1.036","","","","has coordinates","267230","2021-07-05","18:11:04",""
"7158077","10.1304","0.0012","16.9245","0.0019","19.35","0.002","90","","92.357","0.005","90","","3314.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 N2 O -","- C43 H32 N2 O -","- C172 H128 N8 O4 -","4","1","","Zhang, Wande; Wei, Shiqiang; Qu, Jingping; Wang, Baomin","Acid-catalyzed allenylation of pyrazolones with propargyl alcohols.","Organic & biomolecular chemistry","2021","19","22","4992","5001","10.1039/d1ob00592h","","","0.71073","MoKα","","0.1053","0.0527","","","0.1255","0.1464","","","","","","0.96","","","","has coordinates","267232","2021-07-05","18:11:44",""
"7158078","5.4048","0.0001","13.6367","0.0004","20.6903","0.0006","71.195","0.001","85.372","0.001","85.751","0.001","1436.97","0.07","100","2","100.15","","","","","","","","","5","P 1","P 1","1","","","","- C33 H26 N2 O9 S -","- C33 H26 N2 O9 S -","- C66 H52 N4 O18 S2 -","2","2","","Ludford III, Paul T; Li, Yao; Yang, Shenghua; Tor, Yitzhak","Cytidine Deaminase Can Deaminate Fused Pyrimidine Ribonucleosides","Organic & Biomolecular Chemistry","2021","","","","","10.1039/D1OB00705J","","x-ray","1.54178","CuKα","","0.0285","0.0273","","","0.0695","0.0701","","","","","","1.027","","","","has coordinates","265165","2021-05-13","03:22:51",""
"7158079","16.51","0.05","7.4","0.02","16.74","0.05","90","","96","0.06","90","","2034","10","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br N O2 S -","- C24 H20 Br N O2 S -","- C96 H80 Br4 N4 O8 S4 -","4","1","","Singha, Monisha; Bhattacharya, Prabuddha; Ray, Debashis; Basak, Amit","Sterically hindering the trajectory of nucleophilic attack towards <i>p</i>-benzynes by a properly oriented hydrogen atom: an approach to achieve regioselectivity.","Organic & biomolecular chemistry","2021","19","23","5148","5154","10.1039/d1ob00521a","","","0.71073","MoKα","","0.1201","0.0483","","","0.0968","0.1342","","","","","","1.029","","","","has coordinates","267245","2021-07-05","18:14:12",""
"7158080","16.227","0.005","7.418","0.002","17.261","0.003","90","","96.413","0.018","90","","2064.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 I N O2 S -","- C24 H20 I N O2 S -","- C96 H80 I4 N4 O8 S4 -","4","1","","Singha, Monisha; Bhattacharya, Prabuddha; Ray, Debashis; Basak, Amit","Sterically hindering the trajectory of nucleophilic attack towards <i>p</i>-benzynes by a properly oriented hydrogen atom: an approach to achieve regioselectivity.","Organic & biomolecular chemistry","2021","19","23","5148","5154","10.1039/d1ob00521a","","","0.71073","MoKα","","0.1224","0.0567","","","0.1456","0.1966","","","","","","0.967","","","","has coordinates","267245","2021-07-05","18:14:13",""
"7158081","8.0989","0.0018","34.797","0.01","7.681","0.0018","90","","107.3","0.016","90","","2066.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl N O2 S -","- C24 H20 Cl N O2 S -","- C96 H80 Cl4 N4 O8 S4 -","4","1","","Singha, Monisha; Bhattacharya, Prabuddha; Ray, Debashis; Basak, Amit","Sterically hindering the trajectory of nucleophilic attack towards <i>p</i>-benzynes by a properly oriented hydrogen atom: an approach to achieve regioselectivity.","Organic & biomolecular chemistry","2021","19","23","5148","5154","10.1039/d1ob00521a","","","0.71073","MoKα","","0.1518","0.0686","","","0.1659","0.2188","","","","","","1.005","","","","has coordinates","267245","2021-07-05","18:14:13",""
"7158082","10.7761","0.0005","8.5009","0.0004","11.6925","0.0005","90","","112.539","0.002","90","","989.3","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H16 Cl N O S -","- C24 H16 Cl N O S -","- C48 H32 Cl2 N2 O2 S2 -","2","1","","Meng, Beibei; Shi, Qian; Meng, Yuan; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu","Asymmetric catalytic alkynylation of thiazolones and azlactones for synthesis of quaternary α-amino acid precursors.","Organic & biomolecular chemistry","2021","19","23","5087","5092","10.1039/d1ob00582k","","","1.54178","CuKα","","0.0229","0.0227","","","0.0607","0.0609","","","","","","1.038","","","","has coordinates","267251","2021-07-05","18:15:01",""
"7158083","9.4401","0.0002","9.786","0.0002","10.7338","0.0002","64.5184","0.001","74.1018","0.0011","69.7646","0.001","830.67","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Lee, Kyu Ree; Jung, Da Jung; Ahn, Subin; Kim, Ji Won; Lee, Sang-Gi","Catalyst-controlled divergent transformations of <i>N</i>-sulfonyl-1,2,3-triazoles into isoquinolin-3-ones and 2-aminoindanones.","Organic & biomolecular chemistry","2021","19","23","5093","5097","10.1039/d1ob00708d","","","0.71073","MoKα","","0.0685","0.0451","","","0.1092","0.1243","","","","","","1.028","","","","has coordinates","267249","2021-07-05","18:14:43",""
"7158084","8.3301","0.0005","10.1313","0.0005","10.5314","0.0006","106.868","0.002","106.256","0.002","99.042","0.002","788.58","0.08","223","2","223","2","","","","","","","","5","P -1","-P 1","2","160628No1","160628No1","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Lee, Kyu Ree; Jung, Da Jung; Ahn, Subin; Kim, Ji Won; Lee, Sang-Gi","Catalyst-controlled divergent transformations of <i>N</i>-sulfonyl-1,2,3-triazoles into isoquinolin-3-ones and 2-aminoindanones.","Organic & biomolecular chemistry","2021","19","23","5093","5097","10.1039/d1ob00708d","","","0.71073","MoKα","","0.0458","0.0389","","","0.1055","0.1112","","","","","","1.048","","","","has coordinates","267249","2021-07-05","18:14:49",""
"7158085","10.5776","0.0002","14.3577","0.0002","11.1685","0.0003","90","","115.979","0.003","90","","1524.77","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-fluoro-5-methyl-2-phenylbenzo[e]pyrrolo[3,4-b]azepine-1,3(2H,3aH)-dione","","- C19 H13 F N2 O2 -","- C19 H13 F N2 O2 -","- C76 H52 F4 N8 O8 -","4","1","","Inyutina, Anna; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail","Tricyclic 2-benzazepines obtained <i>via</i> an unexpected cyclization involving nitrilium ylides.","Organic & biomolecular chemistry","2021","19","23","5068","5071","10.1039/d1ob00773d","","","1.54184","CuKα","","0.0388","0.0337","","","0.0816","0.0853","","","","","","1.033","","","","has coordinates","267246","2021-07-05","18:14:18",""
"7158086","9.8017","0.0007","10.5096","0.0006","10.5266","0.0009","89.694","0.006","63.187","0.008","89.901","0.005","967.76","0.14","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C46 H42 N2 O10 -","2","1","","Jiang, Pengrui; Guo, Jingcheng; Gong, Minghua; Zhou, Xiangui; Cao, Wei; Fu, Zhenqian; Huang, Wei","N-Heterocyclic carbene-catalyzed [3 + 3] annulation of bromoenals with 2-aminochromones to access chromeno[2,3-<i>b</i>]pyridinones.","Organic & biomolecular chemistry","2021","19","22","4882","4886","10.1039/d1ob00720c","","x-ray","0.71073","MoKα","","0.0803","0.0699","","","0.1832","0.1939","","","","","","1.016","","","","has coordinates","267234","2021-07-05","18:11:55",""
"7158087","26.9719","0.0007","26.9719","0.0007","11.6599","0.0003","90","","90","","120","","7346","0.3","150","0.2","150","0.2","","","","","","","","6","R 3 :H","R 3","146","","","","- C13 H21 Br N O3 P -","- C13 H21 Br N O3 P -","- C234 H378 Br18 N18 O54 P18 -","18","2","","Maleckis, Ansis; Herath, Iresha D.; Otting, Gottfried","Synthesis of <sup>13</sup>C/<sup>19</sup>F/<sup>2</sup>H labeled indoles for use as tryptophan precursors for protein NMR spectroscopy.","Organic & biomolecular chemistry","2021","19","23","5133","5147","10.1039/d1ob00611h","","x-ray","1.54184","CuKα","","0.0522","0.0512","","","0.1344","0.1357","","","","","","1.0281","","","","has coordinates","267252","2021-07-05","18:15:17",""
"7158088","7.6464","0.0002","30.7588","0.0009","5.878","0.0002","90","","90","","90","","1382.47","0.07","173","2","173.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Liu, Yali; Wei, Yu; Yang, Zhen; Li, Yang; Liu, Yan; Liu, Ping","Highly selective C3-H iodination of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2021","19","23","5191","5196","10.1039/d1ob00759a","","","0.71073","MoKα","","0.0392","0.0341","","","0.0778","0.0813","","","","","","1.098","","","","has coordinates","267244","2021-07-05","18:14:05",""
"7158089","13.3693","0.0005","4.2733","0.0002","16.9207","0.0006","90","","90","","90","","966.7","0.07","173","2","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H7 I N2 -","- C11 H7 I N2 -","- C44 H28 I4 N8 -","4","1","","Liu, Yali; Wei, Yu; Yang, Zhen; Li, Yang; Liu, Yan; Liu, Ping","Highly selective C3-H iodination of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2021","19","23","5191","5196","10.1039/d1ob00759a","","","0.71073","MoKα","","0.0114","0.0111","","","0.028","0.0281","","","","","","1.027","","","","has coordinates","267244","2021-07-05","18:14:05",""
"7158090","14.3648","0.0011","14.4679","0.0012","8.6646","0.0007","90","","101.1","0.008","90","","1767.1","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl N4 O2 -","- C20 H17 Cl N4 O2 -","- C80 H68 Cl4 N16 O8 -","4","1","","Zhuge, Juanping; Jiang, Ziyang; Jiang, Wei; Histand, Gary; Lin, Dongen","Iodine-catalyzed oxidative functionalization of purines with (thio)ethers or methylarenes for the synthesis of purin-8-one analogues.","Organic & biomolecular chemistry","2021","19","23","5121","5126","10.1039/d1ob00118c","","x-ray","0.71073","MoKα","","0.0441","0.0366","","","0.0855","0.0903","","","","","","1.068","","","","has coordinates","267250","2021-07-05","18:14:55",""
"7158091","16.27079","0.00007","24.574","0.00009","28.66463","0.00011","112.948","0.0004","98.3767","0.0004","100.387","0.0003","10081.8","0.08","169.99","0.13","169.99","0.13","","","","","","","","4","P -1","-P 1","2","","TPA-P6(n-He)","","- C116 H125 N13 O14 -","- C116 H125 N13 O14 -","- C464 H500 N52 O56 -","4","2","","Pang, Zhi; Qi, Ting; Li, Baolin","Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.","Organic & biomolecular chemistry","2021","19","25","5555","5562","10.1039/d1ob00389e","","x-ray","1.54184","CuKα","","0.0803","0.0737","","","0.2094","0.2201","","","","","","1.029","","","","has coordinates,has disorder","267237","2021-07-05","18:12:43",""
"7158092","16.701","0.0002","20.4228","0.0002","24.065","0.0002","89.126","0.001","76.396","0.001","87.174","0.001","7968.08","0.14","170","0.15","170","0.15","","","","","","","","4","P -1","-P 1","2","","P6(i-Bu)","","- C171.26 H177.04 N24 O31.26 -","- C171.259 H177.036 N24 O31.259 -","- C342.518 H354.072 N48 O62.518 -","2","1","","Pang, Zhi; Qi, Ting; Li, Baolin","Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.","Organic & biomolecular chemistry","2021","19","25","5555","5562","10.1039/d1ob00389e","","x-ray","1.54184","CuKα","","0.1276","0.1204","","","0.3199","0.3236","","","","","","1.058","","","","has coordinates,has disorder","267237","2021-07-05","18:12:44",""
"7158093","10.3686","0.0001","31.9891","0.0003","31.1143","0.0002","90","","95.405","0.001","90","","10274.2","0.15","170","0.15","170","0.15","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C104.58 H103.32 N13 O14.58 -","- C104.579 H103.316 N13 O14.579 -","- C418.316 H413.264 N52 O58.316 -","4","1","","Pang, Zhi; Qi, Ting; Li, Baolin","Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.","Organic & biomolecular chemistry","2021","19","25","5555","5562","10.1039/d1ob00389e","","x-ray","1.54184","CuKα","","0.097","0.0862","","","0.2654","0.2779","","","","","","1.04","","","","has coordinates,has disorder","267237","2021-07-05","18:12:44",""
"7158094","31.598","0.003","11.6057","0.0009","21.0251","0.0017","90","","129.356","0.002","90","","5961.7","0.9","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Br N3 O2 S -","- C35 H28 Br N O2 S -","- C280 H224 Br8 N8 O16 S8 -","8","1","","Chanda, Rupsa; Kar, Abhishek; Das, Aniruddha; Chakraborty, Baitan; Jana, Umasish","Iron-catalyzed carboarylation of alkynes <i>via</i> activation of π-activated alcohols: rapid synthesis of substituted benzofused six-membered heterocycles.","Organic & biomolecular chemistry","2021","19","23","5155","5160","10.1039/d1ob00488c","","","0.71073","MoKα","","0.0817","0.0467","","","0.1404","0.1649","","","","","","1.056","","","","has coordinates","267247","2021-07-05","18:14:26",""
"7158095","9.4903","0.0018","9.865","0.002","11.331","0.002","80.779","0.006","71.403","0.007","68.288","0.005","933","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N3 P -","- C21 H24 N3 P -","- C42 H48 N6 P2 -","2","1","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.0567","0.0433","","","0.1074","0.1248","","","","","","1.078","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158096","11.8876","0.0013","11.8876","0.0013","27.431","0.002","90","","90","","120","","3357.1","0.6","110","2","110","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C12 H18 B12 I12 N6 Zn -","- C12 H18 B12 I12 N6 Zn -","- C36 H54 B36 I36 N18 Zn3 -","3","0.0833333","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.0258","0.0212","","","0.0413","0.0433","","","","","","1.112","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158097","7.9597","0.0006","20.1364","0.0017","13.5168","0.001","90","","96.857","0.004","90","","2151","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl2 N3 P Zn -","- C21 H24 Cl2 N3 P Zn -","- C84 H96 Cl8 N12 P4 Zn4 -","4","1","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.049","0.0327","","","0.0795","0.0961","","","","","","1.087","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158098","22.1697","0.0006","14.6015","0.0004","23.0686","0.0006","90","","105.685","0.001","90","","7189.5","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 B12 I12 N6 P2 Zn -","- C42 H48 B12 I12 N6 P2 Zn -","- C168 H192 B48 I48 N24 P8 Zn4 -","4","1","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.0458","0.0329","","","0.0567","0.0605","","","","","","1.119","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158099","12.1783","0.0002","7.56305","0.00018","17.6627","0.0003","90","","90.5451","0.0016","90","","1626.75","0.05","159.99","0.1","159.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-bromo-4,7-dimethyl-2-phenyl-1H-indole-3-carboxylate","","- C19 H18 Br N O2 -","- C19 H18 Br N O2 -","- C76 H72 Br4 N4 O8 -","4","1","","Zhao, Lan; Qiu, Changfu; Zhao, Lixin; Yin, Guangwei; Li, Fangyi; Wang, Chunhua; Li, Zheng","Base-promoted, CBr<sub>4</sub>-mediated tandem bromination/intramolecular Friedel-Crafts alkylation of N-aryl enamines: a facile access to 1H- and 3H-indoles.","Organic & biomolecular chemistry","2021","19","24","5377","5382","10.1039/d1ob00731a","","x-ray","1.54184","CuKα","","0.0847","0.0641","","","0.1701","0.1987","","","","","","1.098","","","","has coordinates","267228","2021-07-05","18:10:36",""
"7158100","12.5895","0.0017","5.0682","0.0007","18.033","0.002","90","","92.174","0.002","90","","1149.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12.5 N O4 -","- C12 H12.413 N O4 -","- C48 H49.652 N4 O16 -","4","1","","Chen, Rongxiang; Jia, Ruo-Ling; Li, Wenbo; Zhao, Wei; Wang, Kai-Kai; Wang, Zhan-Yong; Ma, Xueji; Dai, Wei; Sun, Aili","A copper iodide-catalyzed coupling reaction of benzofuran-3(2H)-ones with amines: an approach to α-ketoamides.","Organic & biomolecular chemistry","2021","19","24","5294","5297","10.1039/d1ob00715g","","","0.71073","MoKα","","0.0603","0.041","","","0.1156","0.124","","","","","","1.09","","","","has coordinates,has disorder","267226","2021-07-05","18:10:21",""
"7158101","7.9896","0.0002","9.2646","0.0003","13.4601","0.0004","105.166","0.003","96.037","0.002","108.811","0.003","890.46","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 B F2 N4 S -","- C20 H15 B F2 N4 S -","- C40 H30 B2 F4 N8 S2 -","2","1","","Puji Pamungkas, Khurnia Krisna; Maruyama, Toshifumi; Murai, Toshiaki","Boron complexes of thiazole-bridged 1,5-bidentate nitrogen ligands: synthesis and acid-responsive photophysical properties","Organic & Biomolecular Chemistry","2021","","","","","10.1039/D1OB00828E","","","0.71073","MoKα","","0.0644","0.0421","","","0.1007","0.1153","","","","","","1.042","","","","has coordinates","265576","2021-05-28","03:47:24",""
"7158102","7.707","0.0001","17.6134","0.0002","22.5179","0.0002","90","","93.088","0.001","90","","3052.29","0.06","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl4 N4 O4 -","- C34 H24 Cl4 N4 O4 -","- C136 H96 Cl16 N16 O16 -","4","1","","Kudale, Vishal Suresh; Mutra, Mohana Reddy; Chu, Ching-Piao; Wang, Jeh-Jeng","Unusual C<sub>3</sub>-acetylation of quinoxalin-2(1<i>H</i>)-one <i>via</i> oxidative C-C and C-O bond cleavages of PEG-400.","Organic & biomolecular chemistry","2021","19","25","5567","5571","10.1039/d1ob00769f","","x-ray","0.71073","MoKα","","0.0355","0.0305","","","0.0754","0.0777","","","","","","1.059","","","","has coordinates","267241","2021-07-05","18:13:19",""
"7158103","4.6921","0.0001","21.3139","0.0007","14.5759","0.0004","90","","97.032","0.003","90","","1446.73","0.07","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kudale, Vishal Suresh; Mutra, Mohana Reddy; Chu, Ching-Piao; Wang, Jeh-Jeng","Unusual C<sub>3</sub>-acetylation of quinoxalin-2(1<i>H</i>)-one <i>via</i> oxidative C-C and C-O bond cleavages of PEG-400.","Organic & biomolecular chemistry","2021","19","25","5567","5571","10.1039/d1ob00769f","","x-ray","0.71073","MoKα","","0.0511","0.0404","","","0.0998","0.1052","","","","","","1.094","","","","has coordinates","267241","2021-07-05","18:13:20",""
"7158104","9.7145","0.0002","11.9901","0.0003","17.9234","0.0006","103.282","0.001","95.226","0.001","109.005","0.002","1889.6","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H41 B F9 N3 -","- C42 H41 B F9 N3 -","- C84 H82 B2 F18 N6 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","0.71073","MoKα","","0.0985","0.0779","","","0.1854","0.2064","","","","","","1.082","","","","has coordinates,has disorder","267243","2021-07-05","18:13:43",""
"7158105","20.6283","0.0007","8.916","0.0002","19.7224","0.0004","90","","90","","90","","3627.38","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 B F9 N3 -","- C41 H39 B F9 N3 -","- C164 H156 B4 F36 N12 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","0.71073","MoKα","","0.1019","0.0781","","","0.181","0.2025","","","","","","1.097","","","","has coordinates,has disorder","267243","2021-07-05","18:13:44",""
"7158106","13.5769","0.0002","17.0284","0.0004","23.6162","0.0005","90","","104.969","0.001","90","","5274.62","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 B F9 N3 P -","- C56 H56 B F9 N3 P -","- C224 H224 B4 F36 N12 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","0.71073","MoKα","","0.0956","0.0618","","","0.136","0.1564","","","","","","1.033","","","","has coordinates,has disorder","267243","2021-07-05","18:13:44",""
"7158107","13.3489","0.0004","16.9297","0.0006","23.6112","0.0008","90","","101.316","0.002","90","","5232.2","0.3","111","2","111","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 B F9 N3 P -","- C56 H56 B F9 N3 P -","- C224 H224 B4 F36 N12 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","1.54178","CuKα","","0.1655","0.1005","","","0.1703","0.1945","","","","","","1.07","","","","has coordinates","267243","2021-07-05","18:13:44",""
"7158108","7.179","0.002","15.131","0.006","26.209","0.011","90","","92.737","0.016","90","","2843.7","1.8","150","2","150.15","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C32 H26 Br N O4.5 -","- C32 H26 Br N O4.5 -","- C128 H104 Br4 N4 O18 -","4","1","","Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang","Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.","Organic & biomolecular chemistry","2021","19","26","5836","5843","10.1039/d1ob00888a","","","0.71075","MoKα","","0.1774","0.134","","","0.3476","0.3844","","","","","","1.399","","","","has coordinates,has disorder","268941","2021-09-06","12:29:56",""
"7158109","7.217","0.0007","15.068","0.0014","23.762","0.002","90","","90","","90","","2584","0.4","150","2","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Br N O5 -","- C28 H24 Br N O5 -","- C112 H96 Br4 N4 O20 -","4","1","","Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang","Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.","Organic & biomolecular chemistry","2021","19","26","5836","5843","10.1039/d1ob00888a","","","0.71075","MoKα","","0.0589","0.0547","","","0.1386","0.1442","","","","","","1.089","","","","has coordinates","268941","2021-09-06","12:29:56",""
"7158110","9.5943","0.0007","13.0289","0.0008","13.5767","0.0009","90","","98.466","0.006","90","","1678.6","0.2","294.39","0.1","294.39","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C88 H56 N8 O4 -","4","1","","Kim, Sunmi; Lee, Jeong Hwa; Yoon, Seok Hyun; Kim, Ikyon","A regioselective [4 + 2] annulation approach to 5-acylindolizine-7-carbonitriles: generation of poly-substituted pyridines.","Organic & biomolecular chemistry","2021","19","26","5806","5817","10.1039/d1ob00788b","","x-ray","0.71073","MoKα","","0.0783","0.0511","","","0.1114","0.1277","","","","","","1.048","","","","has coordinates","268940","2021-09-06","12:29:45",""
"7158111","8.607","0.0005","14.6316","0.0008","22.5134","0.0014","90","","90","","90","","2835.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-isopropyl-1-phenyl-2-(trifluoromethylsulfonyl)-1,2-dihydropyrazol-5-one","","- C13 H13 F3 N2 O3 S -","- C13 H13 F3 N2 O3 S -","- C104 H104 F24 N16 O24 S8 -","8","1","","Panigrahi, Ahwan; Muniraj, Nachimuthu; Prabhu, Kandikere Ramaiah","<i>N</i>-Triflination of pyrazolones: a new method for N-S bond formation.","Organic & biomolecular chemistry","2021","19","25","5534","5538","10.1039/d1ob00862e","","x-ray","0.71073","MoKα","","0.0401","0.0375","","","0.0923","0.0938","","","","","","1.153","","","","has coordinates","267238","2021-07-05","18:12:49",""
"7158112","13.4208","0.0012","26.557","0.002","8.6349","0.0009","90","","90","","90","","3077.6","0.5","223","2","223","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H16 F5 N O4 S -","- C10 H16 F5 N O4 S -","- C80 H128 F40 N8 O32 S8 -","8","1","","Dudziński, Piotr; Husstedt, Wibke S.; Matsnev, Andrej V.; Thrasher, Joseph S.; Haufe, Günter","Synthesis and [3,3]-sigmatropic rearrangements of 5-(pentafluorosulfanyl)-pent-3-en-2-ol, its homologues, and trifluoromethyl analogues.","Organic & biomolecular chemistry","2021","19","25","5607","5623","10.1039/d1ob00870f","","","1.54178","CuKα","","0.0637","0.0574","","","0.1561","0.1643","","","","","","1.047","","","","has coordinates,has disorder","267239","2021-07-05","18:13:03",""
"7158113","9.9866","0.0006","10.417","0.0006","10.4938","0.0008","101.921","0.006","111.131","0.007","105.454","0.005","924.18","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C38 H48 N4 O8 -","2","1","","Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang","A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.","Organic & biomolecular chemistry","2021","19","26","5794","5799","10.1039/d1ob00730k","","","1.54184","CuKα","","0.0753","0.0622","","","0.1606","0.1732","","","","","","1.044","","","","has coordinates","268942","2021-09-06","12:30:08",""
"7158114","8.7888","0.0004","19.6193","0.0008","10.0883","0.0004","90","","109.798","0.005","90","","1636.71","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C68 H80 N8 O16 -","4","1","","Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang","A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.","Organic & biomolecular chemistry","2021","19","26","5794","5799","10.1039/d1ob00730k","","","1.54184","CuKα","","0.0566","0.044","","","0.1186","0.1261","","","","","","1.062","","","","has coordinates","268942","2021-09-06","12:30:11",""
"7158115","9.0953","0.0003","19.6563","0.0005","10.0974","0.0004","90","","109.55","0.004","90","","1701.14","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang","A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.","Organic & biomolecular chemistry","2021","19","26","5794","5799","10.1039/d1ob00730k","","","1.54184","CuKα","","0.0542","0.0413","","","0.1059","0.1135","","","","","","1.067","","","","has coordinates","268942","2021-09-06","12:30:18",""
"7158116","14.147","0.002","5.4814","0.0008","18.975","0.003","90","","109.36","0.004","90","","1388.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H36 F4 O8 S8 -","- C68 H36 F4 O8 S8 -","- C68 H36 F4 O8 S8 -","1","0.25","","Mondal, Santa; Yashmin, Sabina; Ali, Rashid; Soundaram, R.; Ghosh, Siddhartha S.; Khan, Abu Taleb","Synthesis of biologically active fused 1,4-oxathiin derivatives from 4-hydroxydithiocoumarins, arylacetylenes and dimethyl sulfoxide by Cu(i)-catalyzed C-H functionalization and cross-dehydrogenative C-S coupling reactions.","Organic & biomolecular chemistry","2021","19","26","5818","5826","10.1039/d1ob00846c","","","0.71073","MoKα","","0.0839","0.0632","","","0.2129","0.236","","","","","","1.648","","","","has coordinates","268939","2021-09-06","12:29:35",""
"7158117","9.4481","0.0004","10.3898","0.0005","17.997","0.0009","90","","96.944","0.004","90","","1753.7","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","2","","Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping","Diastereoselective synthesis of chiral 3-substituted isoindolinones <i>via</i> rhodium(III)-catalyzed oxidative C-H olefination/annulation.","Organic & biomolecular chemistry","2021","19","26","5876","5887","10.1039/d1ob00656h","","x-ray","1.54184","CuKα","","0.0629","0.0477","","","0.138","0.1557","","","","","","1.071","","","","has coordinates,has disorder","268938","2021-09-06","12:29:22",""
"7158118","8.6665","0.0005","9.0914","0.0005","20.0289","0.001","90","","90","","90","","1578.09","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C60 H76 N4 O16 S4 -","4","1","","Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping","Diastereoselective synthesis of chiral 3-substituted isoindolinones <i>via</i> rhodium(III)-catalyzed oxidative C-H olefination/annulation.","Organic & biomolecular chemistry","2021","19","26","5876","5887","10.1039/d1ob00656h","","x-ray","1.54184","CuKα","","0.0515","0.0447","","","0.1087","0.1158","","","","","","1.062","","","","has coordinates,has disorder","268938","2021-09-06","12:29:25",""
"7158119","5.9064","0.0003","18.7809","0.0008","7.4306","0.0004","90","","97.589","0.005","90","","817.04","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (4‒methylpyridin‒2‒yl)carbamate","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0501","0.0411","","","0.1095","0.1159","","","","","","1.093","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158120","4.8119","0.0002","10.5336","0.0004","10.7314","0.0004","114.87","0.004","94.157","0.004","90.003","0.003","491.92","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2,2‒Trifluoroethyl (4‒methylpyridin‒2‒yl)carbamate","","- C9 H9 F3 N2 O2 -","- C9 H9 F3 N2 O2 -","- C18 H18 F6 N4 O4 -","2","1","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0385","0.0366","","","0.1019","0.1039","","","","","","1.093","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158121","11.9095","0.0002","7.9623","0.0001","25.3411","0.0004","90","","95.957","0.001","90","","2390.04","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2‒Methoxyethyl quinolin‒2‒ylcarbamate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","2","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0415","0.0383","","","0.0968","0.0992","","","","","","1.068","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158122","8.3092","0.0002","12.0788","0.0004","11.8379","0.0003","90","","92.429","0.003","90","","1187.05","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyclohexyl (4‒methylpyridin‒2‒yl)carbamate","","- C13 H18 N2 O2 -","- C13 H18 N2 O2 -","- C52 H72 N8 O8 -","4","1","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0465","0.0382","","","0.0975","0.1032","","","","","","1.047","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158123","7.9429","0.0002","12.4375","0.0002","12.8747","0.0003","87.653","0.002","74.488","0.002","87.068","0.002","1223.46","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (4‒methoxyquinolin‒2‒yl)carbamate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","2","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0404","0.0368","","","0.0985","0.1021","","","","","","1.085","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158124","6.4301","0.0005","7.7504","0.0006","14.974","0.0012","95.348","0.002","100.866","0.003","105.796","0.003","696.89","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F N O2 S -","- C16 H12 F N O2 S -","- C32 H24 F2 N2 O4 S2 -","2","1","","Zhang, Zai-Wei; Rakesh, K. P.; Liu, Jing; Qin, Hua-Li; Tang, Haolin","A general approach to nitrile- and sulfonyl fluoride-substituted cyclopropanes.","Organic & biomolecular chemistry","2021","19","27","6021","6024","10.1039/d1ob01043c","","","0.71073","MoKα","","0.1269","0.0836","","","0.211","0.2441","","","","","","1.009","","","","has coordinates","268918","2021-09-06","12:24:20",""
"7158125","7.752","0.0006","23.836","0.0019","5.6189","0.0005","90","","97.925","0.002","90","","1028.33","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F N O2 S -","- C10 H8 F N O2 S -","- C40 H32 F4 N4 O8 S4 -","4","1","","Zhang, Zai-Wei; Rakesh, K. P.; Liu, Jing; Qin, Hua-Li; Tang, Haolin","A general approach to nitrile- and sulfonyl fluoride-substituted cyclopropanes.","Organic & biomolecular chemistry","2021","19","27","6021","6024","10.1039/d1ob01043c","","","0.71073","MoKα","","0.0974","0.0776","","","0.16","0.1669","","","","","","1.146","","","","has coordinates","268918","2021-09-06","12:24:34",""
"7158126","7.71","0.0007","9.8223","0.001","16.1672","0.0013","90","","90","","90","","1224.34","0.19","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 F N O4 -","- C13 H12 F N O4 -","- C52 H48 F4 N4 O16 -","4","1","","Banik, Swarnayu; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.","Enantioselective fluorination of 3-indolinone-2-carboxylates with NFSI catalyzed by chiral bisoxazolines.","Organic & biomolecular chemistry","2021","19","27","6085","6091","10.1039/d1ob00144b","","","0.71073","MoKα","","0.0789","0.0473","","","0.1133","0.1287","","","","","","1.048","","","","has coordinates","268919","2021-09-06","12:24:54",""
"7158127","11.9614","0.0005","15.2361","0.0007","12.3334","0.0005","90","","92.953","0.004","90","","2244.72","0.17","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N S Sb -","- C27 H24 N S Sb -","- C108 H96 N4 S4 Sb4 -","4","1","","Li, Wei; Li, Shan; Wang, Zixiu; Liu, Chenfu; Ye, Yifei; Chen, Yujing; Xiong, Yuyan; lei, jian","Direct Sb‒S cross-coupling of halostibines with thiols and disulfides at room temperature","Organic & Biomolecular Chemistry","2021","","","","","10.1039/D1OB00959A","","x-ray","0.71073","MoKα","","0.0401","0.031","","","0.0608","0.0665","","","","","","1.048","","","","has coordinates","266522","2021-06-17","03:58:47",""
"7158128","8.7657","0.0006","19.2142","0.0013","13.3556","0.0009","90","","101.451","0.007","90","","2204.7","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N S Sb -","- C26 H28 N S Sb -","- C104 H112 N4 S4 Sb4 -","4","1","","Li, Wei; Li, Shan; Wang, Zixiu; Liu, Chenfu; Ye, Yifei; Chen, Yujing; Xiong, Yuyan; lei, jian","Direct Sb‒S cross-coupling of halostibines with thiols and disulfides at room temperature","Organic & Biomolecular Chemistry","2021","","","","","10.1039/D1OB00959A","","x-ray","0.71073","MoKα","","0.0577","0.0435","","","0.0859","0.0939","","","","","","1.052","","","","has coordinates","266522","2021-06-17","03:58:48",""
"7158129","12.0684","0.0005","16.7181","0.0007","12.4529","0.0005","90","","99.279","0.004","90","","2479.63","0.18","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N S Sb -","- C30 H30 N S Sb -","- C120 H120 N4 S4 Sb4 -","4","1","","Li, Wei; Li, Shan; Wang, Zixiu; Liu, Chenfu; Ye, Yifei; Chen, Yujing; Xiong, Yuyan; lei, jian","Direct Sb‒S cross-coupling of halostibines with thiols and disulfides at room temperature","Organic & Biomolecular Chemistry","2021","","","","","10.1039/D1OB00959A","","x-ray","0.71073","MoKα","","0.0334","0.027","","","0.0546","0.0585","","","","","","1.04","","","","has coordinates","266522","2021-06-17","03:58:48",""
"7158130","17.8125","0.0012","17.8125","0.0012","8.4655","0.0011","90","","90","","120","","2326.1","0.4","296","2","296","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C17 H17 Cl2 N O -","- C17 H17 Cl2 N O -","- C102 H102 Cl12 N6 O6 -","6","1","","Wang, Fang; Liu, Xiaoli; Wang, Lei","Visible-light-induced C(sp<sup>3</sup>)-H functionalizations of piperidines to 3,3-dichloro-2-hydroxy-piperidines with N-chlorosuccinimide.","Organic & biomolecular chemistry","2021","19","27","6141","6146","10.1039/d1ob00868d","","","0.71073","MoKα","","0.0413","0.0331","","","0.0816","0.0871","","","","","","0.929","","","","has coordinates","268920","2021-09-06","12:25:13",""
"7158131","7.2558","0.0007","9.8044","0.001","10.5031","0.001","99.055","0.004","105.174","0.004","103.419","0.004","682.24","0.12","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Shelar, Santosh V.; Argade, Narshinha P.","Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives.","Organic & biomolecular chemistry","2021","19","27","6160","6169","10.1039/d1ob00754h","","","0.71073","MoKα","","0.0549","0.0466","","","0.1259","0.131","","","","","","1.105","","","","has coordinates","268916","2021-09-06","12:23:57",""
"7158132","24.406","0.002","5.0265","0.0004","9.4136","0.0008","90","","90","","90","","1154.83","0.16","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Shelar, Santosh V.; Argade, Narshinha P.","Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives.","Organic & biomolecular chemistry","2021","19","27","6160","6169","10.1039/d1ob00754h","","","0.71073","MoKα","","0.039","0.0358","","","0.096","0.106","","","","","","1.193","","","","has coordinates","268916","2021-09-06","12:23:57",""
"7158133","6.7387","0.0001","9.5889","0.0001","44.6727","0.0004","90","","90","","90","","2886.6","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 Cl N8 O10 -","- C24 H35 Cl N8 O10 -","- C96 H140 Cl4 N32 O40 -","4","1","","Morshed, Mahmud T.; Lacey, Ernest; Vuong, Daniel; Lacey, Alastair E.; Lean, Soo Sum; Moggach, Stephen A.; Karuso, Peter; Chooi, Yit-Heng; Booth, Thomas J.; Piggott, Andrew M.","Chlorinated metabolites from Streptomyces sp. highlight the role of biosynthetic mosaics and superclusters in the evolution of chemical diversity.","Organic & biomolecular chemistry","2021","19","27","6147","6159","10.1039/d1ob00600b","","x-ray","1.54184","CuKα","","0.0349","0.0334","","","0.0828","0.0838","","","","","","1.037","","","","has coordinates","268922","2021-09-06","12:25:54",""
"7158134","15.6505","0.0004","4.3519","0.0001","17.2668","0.0005","90","","115.015","0.004","90","","1065.72","0.06","99.9","0.5","99.9","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O4 -","- C11.95 H13.9 O4 -","- C47.8 H55.6 O16 -","4","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0554","0.0475","","","0.1307","0.1367","","","","","","1.077","","","","has coordinates,has disorder","268921","2021-09-06","12:25:41",""
"7158135","5.1015","0.0003","21.7906","0.0018","10.1611","0.0004","90","","102.619","0.005","90","","1102.27","0.12","99.9","0.6","99.9","0.6","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11.92 H13.91 O4 -","- C12 H13.976 O4 -","- C48 H55.904 O16 -","4","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0666","0.0575","","","0.1707","0.1771","","","","","","1.101","","","","has coordinates,has disorder","268921","2021-09-06","12:25:44",""
"7158136","10.3819","0.0006","12.0675","0.0007","12.3012","0.0006","70.999","0.005","84.623","0.005","83.524","0.005","1445.2","0.14","99.9","0.6","99.9","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C52 H76 O26 -","- C52 H76 O26 -","- C52 H76 O26 -","1","0.5","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0695","0.0633","","","0.2135","0.22","","","","","","1.073","","","","has coordinates","268921","2021-09-06","12:25:44",""
"7158137","12.1797","0.0003","5.2729","0.0001","17.2041","0.0004","90","","99.215","0.002","90","","1090.63","0.04","99.98","0.16","99.98","0.16","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O4 -","- C13 H13.85 O4 -","- C52 H55.4 O16 -","4","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0502","0.0487","","","0.1253","0.1263","","","","","","1.125","","","","has coordinates,has disorder","268921","2021-09-06","12:25:44",""
"7158138","23.3741","0.0004","13.2115","0.0002","17.727","0.0003","90","","100.781","0.001","90","","5377.6","0.15","99.9","0.6","99.9","0.6","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 O13 -","- C26 H38 O13 -","- C208 H304 O104 -","8","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0734","0.0701","","","0.192","0.1945","","","","","","1.081","","","","has coordinates,has disorder","268921","2021-09-06","12:25:44",""
"7158139","10.0138","0.0005","11.7765","0.0006","12.7363","0.0006","84.6324","0.0015","78.133","0.0015","84.1528","0.0016","1458.14","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 O5 -","- C34 H33 N3 O5 -","- C68 H66 N6 O10 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.0792","0.0512","","","0.1208","0.1367","","","","","","1.028","","","","has coordinates","268954","2021-09-06","12:34:40",""
"7158140","17.6658","0.0012","12.454","0.0008","26.766","0.002","90","","95.226","0.002","90","","5864.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N3 O5 -","- C34 H33 N3 O5 -","- C272 H264 N24 O40 -","8","2","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.2613","0.1063","","","0.219","0.2918","","","","","","1.022","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158141","10.8318","0.0006","11.4013","0.0007","15.4837","0.0008","105.432","0.002","103.175","0.002","103.079","0.002","1708.8","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N3 O8 -","- C34 H31 N3 O8 -","- C68 H62 N6 O16 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1818","0.0946","","","0.2299","0.2804","","","","","","1.024","","","","has coordinates,has disorder","268954","2021-09-06","12:34:41",""
"7158142","10.7954","0.0011","11.0062","0.001","13.5566","0.0012","68.256","0.003","87.382","0.003","86.599","0.003","1493","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Cl2 N O4 -","- C34 H27 Cl2 N O4 -","- C68 H54 Cl4 N2 O8 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1288","0.0788","","","0.2039","0.2348","","","","","","1.034","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158143","8.6348","0.0003","17.8206","0.0007","18.8901","0.0008","90","","94.7464","0.0013","90","","2896.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Cl N3 O5 -","- C33 H30 Cl N3 O5 -","- C132 H120 Cl4 N12 O20 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.0792","0.0487","","","0.1118","0.1278","","","","","","1.034","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158144","13.3152","0.0019","11.0682","0.0015","20.681","","90","0.004","96.176","0.004","90","","3030.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 N3 O8 -","- C34 H31 N3 O8 -","- C136 H124 N12 O32 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1741","0.1208","","","0.2225","0.2476","","","","","","1.117","","","","has coordinates,has disorder","268954","2021-09-06","12:34:41",""
"7158145","8.9596","0.0005","9.371","0.0006","19.8144","0.0011","99.221","0.0018","100.172","0.0017","96.4144","0.0019","1599.44","0.16","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N4 O7 -","- C33 H26 N4 O7 -","- C66 H52 N8 O14 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.096","0.0602","","","0.1498","0.1709","","","","","","1.015","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158146","12.1728","0.0016","13.4083","0.0018","22.278","0.003","86.724","0.004","89.748","0.004","78.705","0.004","3559.8","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N4 O7 -","- C33 H30 N4 O7 -","- C132 H120 N16 O28 -","4","2","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.2259","0.0987","","","0.2202","0.2709","","","","","","1.02","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158147","8.852","0.0007","18.3198","0.0015","18.4779","0.0017","90","","95.474","0.003","90","","2982.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 N3 O7 -","- C34 H33 N3 O7 -","- C136 H132 N12 O28 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.2193","0.0681","","","0.1163","0.1593","","","","","","1.004","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158148","11.2751","0.0007","9.4901","0.0005","27.4393","0.0016","90","","96.132","0.002","90","","2919.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 N3 O6 -","- C34 H33 N3 O6 -","- C136 H132 N12 O24 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1388","0.0571","","","0.1148","0.144","","","","","","1.009","","","","has coordinates,has disorder","268954","2021-09-06","12:34:41",""
"7158149","16.8782","0.0003","17.0499","0.0003","19.0329","0.0004","90","","99.6071","0.0019","90","","5400.31","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N6 S4 -","- C28 H22 N6 S4 -","- C224 H176 N48 S32 -","8","1","","An, Zhenyu; Wang, Ting; Liu, Yafeng; Ren, Yi; Yan, Rulong","A catalyst-free method for the synthesis of 1,4,2-dithiazoles from isothiocyanates and hydroxylamine triflic acid salts.","Organic & biomolecular chemistry","2021","19","28","6206","6209","10.1039/d1ob00938a","","x-ray","1.54184","CuKα","","0.0459","0.0376","","","0.0978","0.1059","","","","","","1.052","","","","has coordinates","268914","2021-09-06","12:23:31",""
"7158150","9.009","0.002","9.253","0.003","13.987","0.004","106.407","0.011","94.581","0.011","91.51","0.013","1113.4","0.5","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N O3 S2 -","- C25 H23 N O3 S2 -","- C50 H46 N2 O6 S4 -","2","1","","Xie, Jianwei; Suleman, Muhammad; Wang, Zaibin; Mao, Xinfei; Mao, Beibei; Fan, Jiale; Lu, Ping; Wang, Yanguang","Syntheses of 4-allyl-/4-allenyl-4-(arylthio)-1,4-dihydroisoquinolin-3-ones <i>via</i> the photochemical Doyle-Kirmse reaction.","Organic & biomolecular chemistry","2021","19","28","6341","6345","10.1039/d1ob00859e","","","0.71073","MoKα","","0.0324","0.031","","","0.0816","0.0827","","","","","","1.058","","","","has coordinates","268959","2021-09-06","12:38:44",""
"7158151","10.61747","0.00019","13.02984","0.00015","10.52228","0.00016","90","","101.882","0.0016","90","","1424.5","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O7 S -","- C14 H11 N O7 S -","- C56 H44 N4 O28 S4 -","4","1","","Hawkins, Paige M. E.; Liu, Dennis Y.; Linington, Roger G.; Payne, Richard J.","Solid-phase synthesis of coralmycin A/<i>epi</i>-coralmycin A and desmethoxycoralmycin A.","Organic & biomolecular chemistry","2021","19","28","6291","6300","10.1039/d1ob01062j","","x-ray","1.54184","CuKα","K-L~2,3~","0.0358","0.0344","","","0.0975","0.0992","","","","","","1.076","","","","has coordinates","268915","2021-09-06","12:23:38",""
"7158152","22.436","0.015","6.47","0.004","23.601","0.015","90","","98.711","0.009","90","","3386","4","100","2","100","2","","","","","","","no","5","C 1 2/c 1","-C 2yc","15","TMSBTO2","2,5-is(trimethylsilyl)benzo[b]thiophene dioxide","","- C14 H22 O2 S Si2 -","- C14 H22 O2 S Si2 -","- C112 H176 O16 S8 Si16 -","8","1","","Nobuhara, Keita; Inagaki, Yusuke; Setaka, Wataru","Steric effects on the intramolecular charge transfer fluorescence of benzo[<i>b</i>]thiophene-1,1-dioxide bridged macrocages.","Organic & biomolecular chemistry","2021","19","28","6328","6333","10.1039/d1ob01050f","","","0.71075","MoKα","","0.0503","0.0451","","","0.1166","0.1209","","","","","","1.073","","","","has coordinates","268907","2021-09-06","12:18:44",""
"7158153","14.159","0.003","17.002","0.004","7.473","0.0016","90","","90","","90","","1799","0.7","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C88 H72 N24 -","8","1","","Zhang, Xiaomin; Yang, Jiali; Xiong, Ni; Han, Zhe; Duan, Xinhua; Zeng, Rong","Indium-mediated annulation of 2-azidoaryl aldehydes with propargyl bromides to [1,2,3]triazolo[1,5-<i>a</i>]quinolines.","Organic & biomolecular chemistry","2021","19","28","6346","6352","10.1039/d1ob01183a","","","0.71073","MoKα","","0.0432","0.0328","","","0.0826","0.0901","","","","","","1.056","","","","has coordinates","268956","2021-09-06","12:36:10",""
"7158154","11.9277","0.0003","10.9677","0.0003","15.6981","0.0005","90","","97.067","0.003","90","","2038.02","0.1","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O4 S Si -","- C20 H26 O4 S Si -","- C80 H104 O16 S4 Si4 -","4","1","","Zhang, Ye; Guo, Jingcheng; Han, Jinna; Zhou, Xiangui; Cao, Wei; Fu, Zhenqian","Bifunctional squaramide catalyzed asymmetric synthesis of chiral α-mercaptosilanes.","Organic & biomolecular chemistry","2021","19","29","6412","6416","10.1039/d1ob00981h","","x-ray","1.54184","CuKα","","0.0591","0.0459","","","0.1203","0.1279","","","","","","1.067","","","","has coordinates","268913","2021-09-06","12:23:17",""
"7158155","12.1633","0.0009","16.9191","0.0014","20.785","0.0016","90","","90","","90","","4277.4","0.6","273","2","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C192 H168 N24 O24 -","8","1","","Li, Wenhui; Xin, Jie; Zhai, Pingan; Lin, Jianying; Huang, Shuangping; Gao, Wenchao; Li, Xing","Access to highly functionalized imidazolones bearing α-amino acid esters <i>via</i> KOH-promoted annulation of amidines, nitrosoarenes and malonic esters.","Organic & biomolecular chemistry","2021","19","29","6473","6477","10.1039/d1ob00930c","","","0.71073","MoKα","","0.0976","0.0551","","","0.1267","0.1476","","","","","","1.045","","","","has coordinates","268912","2021-09-06","12:23:04",""
"7158156","7.5536","0.0003","15.5289","0.0006","19.9941","0.0007","90","","98.847","0.001","90","","2317.39","0.15","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl N O -","- C26 H22 Cl N O -","- C104 H88 Cl4 N4 O4 -","4","1","","Clarke, Joshua J.; Devaraj, Karthik; Bestvater, Brian P.; Kojima, Ryoto; Eisenberger, Patrick; DeJesus, Joseph F.; Crudden, Cathleen M.","Hydrosilylation and Mukaiyama aldol-type reaction of quinolines and hydrosilylation of imines catalyzed by a mesoionic carbene-stabilized borenium ion.","Organic & biomolecular chemistry","2021","19","31","6786","6791","10.1039/d1ob01056e","","","0.71073","MoKα","","0.0532","0.0437","","","0.116","0.1219","","","","","","1.064","","","","has coordinates","268957","2021-09-06","12:36:40",""
"7158157","8.6611","0.0003","13.0943","0.0003","10.2975","0.0003","90","","110.729","0.003","90","","1092.25","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 N3 O S -","- C26 H21 N3 O S -","- C52 H42 N6 O2 S2 -","2","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0275","0.0262","","","0.0617","0.0626","","","","","","1.035","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158158","6.8461","0.0001","15.7021","0.0003","21.1251","0.0004","90","","90","","90","","2270.91","0.07","100.03","0.1","100.03","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0419","0.0371","","","0.0831","0.0865","","","","","","1.054","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158159","21.3972","0.0003","14.6607","0.0002","6.86195","0.00011","90","","90","","90","","2152.58","0.05","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0355","0.0318","","","0.0709","0.0723","","","","","","1.075","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158160","8.2288","0.0005","10.1233","0.0006","25.6942","0.0015","90","","90","","90","","2140.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0622","0.0464","","","0.082","0.0873","","","","","","1.042","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158161","8.694","0.002","18.217","0.004","34.494","0.009","89.931","0.004","89.94","0.004","89.969","0.005","5463","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H30 N4 O12 -","- C19 H30 N4 O12 -","- C152 H240 N32 O96 -","8","4","","Kulkarni, Pradnya; Datta, Dhrubajyoti; Ramabhadran, Raghunath O.; Ganesh, Krishna","Gem-dimethyl peptide nucleic acid (α/β/γ-<i>gdm</i>-PNA) monomers: synthesis and the role of <i>gdm</i>-substituents in preferential stabilisation of <i>Z</i>/<i>E</i>-rotamers.","Organic & biomolecular chemistry","2021","19","29","6534","6545","10.1039/d1ob01097b","","","0.71073","MoKα","","0.3769","0.1058","","","0.2067","0.3326","","","","","","0.912","","","","has coordinates","268909","2021-09-06","12:22:18",""
"7158162","9.0334","0.0002","8.7125","0.0002","12.1508","0.0003","90","","94.034","0.002","90","","953.94","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N5 O2 S2 -","- C17 H19 N5 O2 S2 -","- C34 H38 N10 O4 S4 -","2","1","","Shi, Di; Cao, Jinlian; Weng, Peimin; Yan, Xiaosheng; Li, Zhao; Jiang, Yun-Bao","Chalcogen bonding mediates the formation of supramolecular helices of azapeptides in crystals.","Organic & biomolecular chemistry","2021","19","29","6397","6401","10.1039/d1ob01053k","","","0.71073","MoKα","","0.0452","0.0401","","","0.103","0.1091","","","","","","1.054","","","","has coordinates","268910","2021-09-06","12:22:33",""
"7158163","10.1096","0.0003","8.1557","0.0002","10.7216","0.0004","90","","110.545","0.004","90","","827.78","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N4 O2 S2 -","- C15 H16 N4 O2 S2 -","- C30 H32 N8 O4 S4 -","2","1","","Shi, Di; Cao, Jinlian; Weng, Peimin; Yan, Xiaosheng; Li, Zhao; Jiang, Yun-Bao","Chalcogen bonding mediates the formation of supramolecular helices of azapeptides in crystals.","Organic & biomolecular chemistry","2021","19","29","6397","6401","10.1039/d1ob01053k","","","1.54184","CuKα","","0.0388","0.0379","","","0.0952","0.0965","","","","","","1.042","","","","has coordinates,has disorder","268910","2021-09-06","12:22:37",""
"7158164","12.3447","0.001","5.563","0.0005","17.4342","0.0015","90","","104.256","0.002","90","","1160.4","0.17","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O5 -","- C20 H22 Br N O5 -","- C40 H44 Br2 N2 O10 -","2","1","","Fang, Guosheng; Wang, Hongyu; Zheng, Changwu; Pan, Lu; Zhao, Gang","Enantioselectivity switch in asymmetric Michael addition reactions using phosphonium salts.","Organic & biomolecular chemistry","2021","19","28","6334","6340","10.1039/d1ob01027a","","","0.71073","MoKα","","0.0859","0.0472","","","0.1126","0.127","","","","","","0.989","","","","has coordinates","268908","2021-09-06","12:19:38",""
"7158165","8.7747","0.0004","15.1721","0.0009","16.458","0.0009","72.036","0.002","88.944","0.002","84.345","0.002","2073.94","0.19","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H32 Br F12 N2 O2 P -","- C39 H32 Br F12 N2 O2 P -","- C78 H64 Br2 F24 N4 O4 P2 -","2","2","","Fang, Guosheng; Wang, Hongyu; Zheng, Changwu; Pan, Lu; Zhao, Gang","Enantioselectivity switch in asymmetric Michael addition reactions using phosphonium salts.","Organic & biomolecular chemistry","2021","19","28","6334","6340","10.1039/d1ob01027a","","","0.71073","MoKα","","0.1529","0.1053","","","0.2673","0.3269","","","","","","1.008","","","","has coordinates,has disorder","268908","2021-09-06","12:19:45",""
"7158166","4.9637","0.0002","20.0442","0.0007","10.3335","0.0004","90","","101.298","0.004","90","","1008.19","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SM569","","- C8 H4 F3 I N2 O3 -","- C8 H4 F3 I N2 O3 -","- C32 H16 F12 I4 N8 O12 -","4","1","","Kobayashi, Yusuke; Masakado, Sota; Murai, Takuya; Hamada, Shohei; Furuta, Takumi; Takemoto, Yoshiji","A bench-stable N-trifluoroacetyl nitrene equivalent for a simple synthesis of 2-trifluoromethyl oxazoles.","Organic & biomolecular chemistry","2021","19","30","6628","6632","10.1039/d1ob00947h","","x-ray","1.54184","CuKα","","0.065","0.0641","","","0.1774","0.1789","","","","","","1.118","","","","has coordinates","268944","2021-09-06","12:30:53",""
"7158167","7.0451","0.0017","7.3918","0.0017","12.782","0.003","76.201","0.003","81.124","0.003","73.395","0.003","616.8","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C32 H24 O6 -","2","1","","Wu, Hao; Wang, Yi-Chun; Shatskiy, Andrey; Li, Qiu-Yan; Liu, Jian-Quan; Kärkäs, Markus D; Wang, Xiang-Shan","Modular synthesis of 3-substituted isocoumarins <i>via</i> silver-catalyzed aerobic oxidation/<i>6-endo</i> heterocyclization of <i>ortho</i>-alkynylbenzaldehydes.","Organic & biomolecular chemistry","2021","19","30","6657","6664","10.1039/d1ob01065d","","","0.71073","MoKα","","0.0507","0.0454","","","0.1218","0.1317","","","","","","1.082","","","","has coordinates","268943","2021-09-06","12:30:48",""
"7158168","15.006","0.006","6.157","0.002","27.288","0.01","90","","90","","90","","2521.2","1.6","173.15","","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","","Lai, Huifang; Xu, Jiexin; Lin, Jin; Zha, Daijun","Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate.","Organic & biomolecular chemistry","2021","19","35","7621","7626","10.1039/d1ob01054a","","","0.71073","MoKα","","0.0898","0.0511","","","0.1295","0.1475","","","","","","1.084","","","","has coordinates","269784","2021-10-06","16:16:11",""
"7158169","9.806","0.003","11.637","0.003","9.954","0.003","90","","105.446","0.004","90","","1094.8","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Lai, Huifang; Xu, Jiexin; Lin, Jin; Zha, Daijun","Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate.","Organic & biomolecular chemistry","2021","19","35","7621","7626","10.1039/d1ob01054a","","","0.71073","MoKα","","0.0666","0.0459","","","0.131","0.1413","","","","","","1.0483","","","","has coordinates","269784","2021-10-06","16:16:11",""
"7158170","12.2987","0.0007","12.4224","0.0007","13.2018","0.0008","75.801","0.002","69.663","0.002","66.425","0.001","1720.08","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 Br N4 O -","- C40 H33 Br N4 O -","- C80 H66 Br2 N8 O2 -","2","1","","Nawaz, Shah; Wei, Shiqiang; Huang, Yue; Wang, Wenyao; Qu, Jingping; Wang, Baomin","Diastereoselective synthesis of indolenine-based spiro[pyrazolone-4,2'-pyrrolidine] scaffolds via 1,3-dipolar cycloaddition of 4-aminopyrazolones, aldehydes, and indolenines.","Organic & biomolecular chemistry","2021","19","32","6964","6968","10.1039/d1ob01135a","","","0.71073","MoKα","","0.085","0.0494","","","0.1373","0.1582","","","","","","1.029","","","","has coordinates","268927","2021-09-06","12:26:50",""
"7158171","10.8036","0.0009","11.4967","0.0009","15.6103","0.0014","95.672","0.007","91.026","0.007","113.558","0.008","1765.1","0.3","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 O3 P2 -","- C39 H32 O3 P2 -","- C78 H64 O6 P4 -","2","1","","Fan, Tao; Liu, Yan; Jiang, Caina; Xu, Yanli; Chen, Yanyan","A metal-free radical cascade reaction of phosphine oxides with 2-aryloxy phenylacetylenes to synthesize diphosphonyl xanthene derivatives.","Organic & biomolecular chemistry","2021","19","30","6609","6612","10.1039/d1ob01045j","","x-ray","0.71073","MoKα","","0.1062","0.0787","","","0.1988","0.22","","","","","","1.044","","","","has coordinates","268946","2021-09-06","12:31:16",""
"7158172","8.4116","0.0004","18.7873","0.001","12.526","0.0006","90","","98.829","0.005","90","","1956.04","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 F I N O4 S -","- C19 H15 F I N O4 S -","- C76 H60 F4 I4 N4 O16 S4 -","4","1","","Habert, Loïc; Diachenko, Iryna; Retailleau, Pascal; Gillaizeau, Isabelle","Electrophile promoted cyclization of <i>ortho</i>-aryl substituted ynamides: construction of 3-amino-4-halo- or 4 seleno-isocoumarin derivatives.","Organic & biomolecular chemistry","2021","19","30","6623","6627","10.1039/d1ob01075a","","x-ray","0.71073","MoKα","","0.0524","0.0354","","","0.085","0.091","","","","","","1.043","","","","has coordinates,has disorder","268945","2021-09-06","12:31:05",""
"7158173","5.1089","0.0001","22.0087","0.0004","10.5605","0.0002","90","","99.571","0.002","90","","1170.9","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 O -","- C14 H9 Cl N2 O -","- C56 H36 Cl4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0275","0.0259","","","0.0673","0.0683","","","","","","1.063","","","","has coordinates","268947","2021-09-06","12:31:54",""
"7158174","3.8797","0.0002","21.319","0.0014","14.8922","0.0009","90","","95.148","0.005","90","","1226.78","0.13","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N3 O -","- C13 H8 Br N3 O -","- C52 H32 Br4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0666","0.0595","","","0.149","0.154","","","","","","1.099","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158175","10.21","0.0002","13.0373","0.0002","18.718","0.0003","90","","103.054","0.002","90","","2427.18","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 I N3 O -","- C13 H8 I N3 O -","- C104 H64 I8 N24 O8 -","8","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","0.71073","MoKα","","0.0357","0.0348","","","0.0967","0.0973","","","","","","1.18","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158176","3.7735","0.0001","10.1396","0.0002","29.0994","0.0006","90","","90.876","0.002","90","","1113.26","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C52 H32 Cl4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0374","0.0348","","","0.0896","0.091","","","","","","1.064","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158177","12.7284","0.0003","6.7266","0.0002","14.4741","0.0004","90","","104.558","0.003","90","","1199.47","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 I N3 O -","- C13 H8 I N3 O -","- C52 H32 I4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0385","0.0359","","","0.0994","0.1013","","","","","","1.091","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158178","3.846","0.0001","9.8013","0.0002","29.8606","0.0006","90","","93.485","0.002","90","","1123.54","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3act-Cl","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C52 H32 Cl4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0425","0.0416","","","0.1167","0.1174","","","","","","1.046","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158179","3.7981","0.0001","11.5441","0.0002","25.4972","0.0004","90","","91.106","0.002","90","","1117.73","0.04","100","0.18","100","0.18","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C52 H32 Cl4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0403","0.0385","","","0.1046","0.1059","","","","","","1.074","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158180","4.0845","0.0001","16.1979","0.0004","19.1245","0.0004","90","","95.784","0.002","90","","1258.84","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N2 O -","- C14 H9 I N2 O -","- C56 H36 I4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0367","0.0336","","","0.0815","0.0828","","","","","","1.11","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158181","5.2552","0.0001","15.3923","0.0003","16.4781","0.0003","90","","98.244","0.002","90","","1319.13","0.04","200","0.1","200","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 I N2 O -","- C14 H9 I N2 O -","- C56 H36 I4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","0.71073","MoKα","","0.0314","0.0261","","","0.0709","0.0732","","","","","","1.078","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158182","5.1974","0.0001","21.9187","0.0005","10.6585","0.0002","90","","100.577","0.002","90","","1193.59","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br N2 O -","- C14 H9 Br N2 O -","- C56 H36 Br4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0256","0.0244","","","0.0664","0.0671","","","","","","1.058","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158183","6.7509","0.0001","9.2249","0.0002","10.2422","0.0002","112.512","0.002","93.859","0.002","97.72","0.002","578.97","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Br N3 O -","- C13 H8 Br N3 O -","- C26 H16 Br2 N6 O2 -","2","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0646","0.0648","","","","","","1.069","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158184","11.4106","0.0007","14.3958","0.0014","9.9664","0.0005","90","","94.167","0.006","90","","1632.8","0.2","293","2","293","2","","","","","","","NA","4","P 1 21/c 1","-P 2ybc","14","","2-(5-fluoro-2-(p-tolyl)-1H-indol-3-yl)ethene-1,1,2-tricarbonitrile","","- C20 H11 F N4 -","- C20 H11 F N4 -","- C80 H44 F4 N16 -","4","1","","Chakraborty, Nikita; Dahiya, Anjali; Rakshit, Amitava; Modi, Anju; Patel, Bhisma K.","An expedient route to tricyanovinylindoles and indolylmaleimides from o-alkynylanilines utilising DMSO as a one-carbon synthon.","Organic & biomolecular chemistry","2021","19","31","6847","6857","10.1039/d1ob01086g","","","0.71073","MoKα","","0.1181","0.0521","","","0.1099","0.1383","","","","","","0.952","","","","has coordinates","268955","2021-09-06","12:35:22",""
"7158185","14.4732","0.0003","8.9061","0.0002","15.9214","0.0004","90","","109.314","0.002","90","","1936.76","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N2 O4 P -","- C18 H25 N2 O4 P -","- C72 H100 N8 O16 P4 -","4","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","","1.54184","CuKα","","0.0575","0.0534","","","0.138","0.1431","","","","","","1.075","","","","has coordinates","268948","2021-09-06","12:32:07",""
"7158186","12.3634","0.0007","10.7573","0.0006","15.9936","0.0008","90","","101.939","0.005","90","","2081.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N3 O2 P -","- C24 H20 N3 O2 P -","- C96 H80 N12 O8 P4 -","4","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","x-ray","0.71073","MoKα","","0.0552","0.0426","","","0.1064","0.1167","","","","","","1.04","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158187","9.9066","0.0004","9.9454","0.0004","12.3415","0.0006","102.791","0.004","101.823","0.004","90.163","0.003","1159.14","0.09","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 N2 O5 P -","- C26 H25 N2 O5 P -","- C52 H50 N4 O10 P2 -","2","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","","1.54184","CuKα","","0.0442","0.0417","","","0.113","0.1163","","","","","","1.043","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158188","12.9952","0.0005","11.0767","0.0005","15.1578","0.0006","90","","93.224","0.004","90","","2178.42","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N2 O2 P -","- C26 H25 N2 O2 P -","- C104 H100 N8 O8 P4 -","4","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","x-ray","0.71073","MoKα","","0.0553","0.0416","","","0.1038","0.1128","","","","","","1.019","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158189","9","0.0005","11.1653","0.0008","12.3858","0.0007","115.027","0.007","91.058","0.005","113.01","0.006","1012.5","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N2 O2 P -","- C24 H21 N2 O2 P -","- C48 H42 N4 O4 P2 -","2","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","x-ray","0.71073","MoKα","","0.0593","0.0433","","","0.0999","0.1114","","","","","","1.03","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158190","9.32193","0.00005","15.92387","0.00009","17.03098","0.00008","90","","91.9636","0.0004","90","","2526.61","0.02","299.51","0.12","299.51","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 O5 P -","- C30 H25 O5 P -","- C120 H100 O20 P4 -","4","1","","Zheng, Shi-Lu; Zou, Yun-Xiang; Wen, Zhong; Lin, Jia-Fu; Gu, Ling-Hui; Chen, Long","Y(OTf)<sub>3</sub>-catalyzed phosphorylation of 2H-chromene hemiacetals with P(O)-H compounds to 2-phosphorylated 2H-chromenes.","Organic & biomolecular chemistry","2021","19","31","6812","6816","10.1039/d1ob01221e","","x-ray","1.54184","CuKα","","0.0417","0.0398","","","0.1079","0.1095","","","","","","1.067","","","","has coordinates","268906","2021-09-06","12:18:37",""
"7158191","10.7889","0.0003","23.8675","0.0005","11.6684","0.0005","90","","113.658","0.004","90","","2752.14","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N O6 S -","- C32 H29 N O6 S -","- C128 H116 N4 O24 S4 -","4","1","","Lodhi, Rajni; Prakash, Meher; Samanta, Sampak","Diastereoselective desymmetrization reactions of prochiral para-quinamines with cyclopropenes generated in situ: access to fused hydroindol-5-one scaffolds.","Organic & biomolecular chemistry","2021","19","33","7129","7133","10.1039/d1ob01322j","","x-ray","1.54184","CuKα","","0.1249","0.1028","","","0.2615","0.302","","","","","","1.64","","","","has coordinates","268935","2021-09-06","12:28:43",""
"7158192","11.168","0.002","15.73","0.002","18.35","0.003","90","","105.575","0.013","90","","3105.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C136 H112 Cl8 N8 O32 -","8","2","","Ge, Yuhua; Chen, Xingyue; Dong, Yi; Wang, Hua-Nan; Li, Yangyan; Chen, Gang","Access to benzene-modified 2<sup>nd</sup> generation strigolactams and GR24 by merging C-H olefination with decarboxylative Giese cyclization.","Organic & biomolecular chemistry","2021","19","33","7141","7146","10.1039/d1ob01234g","","","1.54178","CuKα","","0.0595","0.0446","","","0.12","0.1303","","","","","","1.051","","","","has coordinates","268936","2021-09-06","12:28:51",""
"7158193","12.588","0.003","7.415","0.002","16.351","0.004","90","","100.998","0.018","90","","1498.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl O5 -","- C17 H13 Cl O5 -","- C68 H52 Cl4 O20 -","4","1","","Ge, Yuhua; Chen, Xingyue; Dong, Yi; Wang, Hua-Nan; Li, Yangyan; Chen, Gang","Access to benzene-modified 2<sup>nd</sup> generation strigolactams and GR24 by merging C-H olefination with decarboxylative Giese cyclization.","Organic & biomolecular chemistry","2021","19","33","7141","7146","10.1039/d1ob01234g","","","1.54178","CuKα","","0.0422","0.0359","","","0.095","0.1","","","","","","1.036","","","","has coordinates","268936","2021-09-06","12:28:54",""
"7158194","9.97","0.0003","11.919","0.0003","12.5827","0.0004","90","","90","","90","","1495.23","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C1.55 H1.45 O0.45 -","- C1.54545 H1.45455 O0.454545 -","- C68 H64 O20 -","44","11","","Chen, Yan-Shan; Zheng, Yu; Chen, Zhi-Jun; Xie, Zhen-Zhen; He, Xian-Chen; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-catalysed one-pot domino sequence to access cyclopentene-fused coumarins.","Organic & biomolecular chemistry","2021","19","32","7074","7080","10.1039/d1ob01143j","","","0.71073","MoKα","","0.044","0.0407","","","0.1198","0.1239","","","","","","1.018","","","","has coordinates","268929","2021-09-06","12:27:16",""
"7158195","10.2334","0.0013","12.1426","0.0015","12.2272","0.0015","115.446","0.004","93.73","0.004","103.262","0.004","1312","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O8 -","- C32 H28 O8 -","- C64 H56 O16 -","2","1","","Chen, Yan-Shan; Zheng, Yu; Chen, Zhi-Jun; Xie, Zhen-Zhen; He, Xian-Chen; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-catalysed one-pot domino sequence to access cyclopentene-fused coumarins.","Organic & biomolecular chemistry","2021","19","32","7074","7080","10.1039/d1ob01143j","","","0.71076","MoKα","","0.0996","0.0494","","","0.1122","0.1323","","","","","","1.017","","","","has coordinates","268929","2021-09-06","12:27:16",""
"7158196","8.9293","0.0005","10.0916","0.0006","18.8422","0.001","90","","96.1923","0.0016","90","","1687.98","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Chen, Yan-Shan; Zheng, Yu; Chen, Zhi-Jun; Xie, Zhen-Zhen; He, Xian-Chen; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-catalysed one-pot domino sequence to access cyclopentene-fused coumarins.","Organic & biomolecular chemistry","2021","19","32","7074","7080","10.1039/d1ob01143j","","","0.71076","MoKα","","0.0622","0.0454","","","0.107","0.1149","","","","","","1.056","","","","has coordinates","268929","2021-09-06","12:27:16",""
"7158197","10.1542","0.0002","13.7673","0.0003","14.3456","0.0003","72.6361","0.0019","88.2388","0.0016","74.6748","0.0018","1843.48","0.07","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H33 Cl2 I2 O P2 Rh -","- C38 H33 Cl2 I2 O P2 Rh -","- C76 H66 Cl4 I4 O2 P4 Rh2 -","2","1","","Okada, Masaki; Takeuchi, Katsuhiko; Matsumoto, Kazuhiro; Oku, Tomoharu; Choi, Jun-Chul","Hydroxycarbonylation of alkenes with formic acid using a rhodium iodide complex and alkyl ammonium iodide.","Organic & biomolecular chemistry","2021","19","40","8727","8734","10.1039/d1ob01060c","","","0.71073","MoKα","","0.0256","0.0247","","","0.0678","0.068","","","","","","1.305","","","","has coordinates","270507","2021-11-06","20:42:37",""
"7158198","8.6227","0.001","11.3588","0.0012","11.8411","0.0017","117.309","0.013","91.977","0.011","96.236","0.01","1019.7","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","1","","Ding, Weiwei; Zhang, Gang","Access to fused π-extended acridone derivatives through a regioselective oxidative demethylation.","Organic & biomolecular chemistry","2021","19","32","6985","6989","10.1039/d1ob01249e","","x-ray","1.54184","CuKα","","0.1154","0.0936","","","0.2981","0.3188","","","","","","1.089","","","","has coordinates","268928","2021-09-06","12:27:05",""
"7158199","11.7193","0.0008","25.313","0.002","11.1041","0.001","90","","105.097","0.009","90","","3180.3","0.5","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Cl6 N3 O2 -","- C32 H27 Cl6 N3 O2 -","- C128 H108 Cl24 N12 O8 -","4","1","","Ding, Weiwei; Zhang, Gang","Access to fused π-extended acridone derivatives through a regioselective oxidative demethylation.","Organic & biomolecular chemistry","2021","19","32","6985","6989","10.1039/d1ob01249e","","x-ray","0.71073","MoKα","","0.0916","0.0668","","","0.1583","0.1756","","","","","","1.038","","","","has coordinates","268928","2021-09-06","12:27:09",""
"7158200","11.5804","0.0004","12.1813","0.0006","12.9925","0.0005","101.203","0.004","101.376","0.003","103.039","0.003","1694.85","0.13","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 Cl6 N3 O2 -","- C36 H29 Cl6 N3 O2 -","- C72 H58 Cl12 N6 O4 -","2","1","","Ding, Weiwei; Zhang, Gang","Access to fused π-extended acridone derivatives through a regioselective oxidative demethylation.","Organic & biomolecular chemistry","2021","19","32","6985","6989","10.1039/d1ob01249e","","x-ray","1.54184","CuKα","","0.0564","0.0465","","","0.1186","0.1267","","","","","","1.038","","","","has coordinates","268928","2021-09-06","12:27:09",""
"7158201","11.613","0.002","10.494","0.002","15.562","0.003","90","","91.952","0.006","90","","1895.4","0.6","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.064","0.0436","","","0.1065","0.1138","","","","","","1.087","","","","has coordinates","268958","2021-09-06","12:37:51",""
"7158202","9.8974","0.0002","9.9589","0.0003","11.7524","0.0003","90.477","0.002","106.658","0.002","116.051","0.002","984.84","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O2 S2 -","- C21 H19 N O2 S2 -","- C42 H38 N2 O4 S4 -","2","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0557","0.0457","","","0.1261","0.1339","","","","","","1.08","","","","has coordinates","268958","2021-09-06","12:37:56",""
"7158203","10.0494","0.0011","10.1081","0.001","10.9713","0.001","104.997","0.003","112.432","0.003","95.785","0.004","969.89","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cl N O2 S -","- C22 H18 Cl N O2 S -","- C44 H36 Cl2 N2 O4 S2 -","2","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0402","0.0343","","","0.0882","0.0918","","","","","","1.048","","","","has coordinates","268958","2021-09-06","12:38:08",""
"7158204","20.5737","0.0008","6.0343","0.0002","14.7085","0.0008","90","","104.444","0.004","90","","1768.31","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C80 H84 N4 O8 S4 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0901","0.0555","","","0.1453","0.1692","","","","","","1.095","","","","has coordinates","268958","2021-09-06","12:38:16",""
"7158205","9.9875","0.0002","14.1732","0.0003","14.8341","0.0003","83.86","0.002","80.349","0.002","74.882","0.002","1994.06","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N2 O4 S2 -","- C46 H42 N2 O4 S2 -","- C92 H84 N4 O8 S4 -","2","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0852","0.0543","","","0.1371","0.1546","","","","","","1.086","","","","has coordinates","268958","2021-09-06","12:38:33",""
"7158206","12.7742","0.0002","7.1824","0.0001","15.7199","0.0002","90","","90","","90","","1442.29","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 I2 N2 -","- C12 H13.5 I2 N2 -","- C48 H54 I8 N8 -","4","0.5","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il'in, Mikhail V.; Suslonov, Vitalii V.; Bolotin, Dmitrii S.","Predicting the catalytic activity of azolium-based halogen bond donors: an experimentally-verified theoretical study.","Organic & biomolecular chemistry","2021","19","35","7611","7620","10.1039/d1ob01158h","","x-ray","1.54184","CuKα","","0.0222","0.0216","","","0.053","0.0535","","","","","","1.062","","","","has coordinates,has disorder","269785","2021-10-06","16:16:19",""
"7158207","8.3762","0.0004","14.1584","0.0007","14.0266","0.0007","90","","97.152","0.004","90","","1650.52","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F3 I N2 O3 S -","- C13 H14 F3 I N2 O3 S -","- C52 H56 F12 I4 N8 O12 S4 -","4","1","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il'in, Mikhail V.; Suslonov, Vitalii V.; Bolotin, Dmitrii S.","Predicting the catalytic activity of azolium-based halogen bond donors: an experimentally-verified theoretical study.","Organic & biomolecular chemistry","2021","19","35","7611","7620","10.1039/d1ob01158h","","x-ray","1.54184","CuKα","","0.026","0.0252","","","0.0653","0.0659","","","","","","1.049","","","","has coordinates","269785","2021-10-06","16:16:19",""
"7158208","14.6499","0.0002","16.45897","0.00018","28.2119","0.0004","90","","95.483","0.0012","90","","6771.39","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 I2 N2 -","- C7 H12 I2 N2 -","- C168 H288 I48 N48 -","24","3","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il'in, Mikhail V.; Suslonov, Vitalii V.; Bolotin, Dmitrii S.","Predicting the catalytic activity of azolium-based halogen bond donors: an experimentally-verified theoretical study.","Organic & biomolecular chemistry","2021","19","35","7611","7620","10.1039/d1ob01158h","","x-ray","1.54184","CuKα","","0.0441","0.0423","","","0.1134","0.1154","","","","","","1.05","","","","has coordinates","269785","2021-10-06","16:16:19",""
"7158209","5.8983","0.0001","15.4491","0.0002","15.8136","0.0003","90","","90","","90","","1440.99","0.04","303","2","303","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 F2 N O S2 -","- C15 H11 F2 N O S2 -","- C60 H44 F8 N4 O4 S8 -","4","1","","Zhang, Yifang; Wang, Qian; Peng, Yi; Gong, Haiying; Chen, Hua; Deng, Hongmei; Hao, Jian; Wan, Wen","Metal-free, oxidative decarboxylation of aryldifluoroacetic acid with the formation of the ArS-CF<sub>2</sub> bond.","Organic & biomolecular chemistry","2021","19","32","7024","7030","10.1039/d1ob01165k","","","1.54178","CuKα","","0.0292","0.0291","","","0.0902","0.0904","","","","","","1.065","","","","has coordinates","268925","2021-09-06","12:26:17",""
"7158210","10.2144","0.0002","15.935","0.0005","17.0604","0.0004","90","","90","","90","","2776.86","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.69 H1.85 N0 O0.15 S0.15 -","- C2.69231 H1.84615 O0.153846 S0.153846 -","- C140 H96 O8 S8 -","52","13","","Yue, Yuanyuan; Chao, Junli; Wang, Zhiyue; Yang, Yan; Ye, Yaqing; Sun, Chunying; Guo, Xiaohui; Liu, Jianming","Electrooxidative double C-H/C-H coupling of phenols with 3-phenylbenzothiophenes: facile access to benzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","33","7156","7160","10.1039/d1ob01208h","","","1.54184","CuKα","","0.094","0.0778","","","0.281","0.2921","","","","","","0.992","","","","has coordinates","268933","2021-09-06","12:28:24",""
"7158211","11.359","0.003","12.15","0.003","19.406","0.005","90","","94.359","0.007","90","","2670.5","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3'R,4'S)-3'-(3,4-dimethoxyphenyl)-1''-phenyl-5'-thioxodispiro[indene-2,2'-pyrrolidine-4',3''-pyrrolidine]-1,4'',5''(3H)-trione","","- C29 H24 N2 O5 S -","- C29 H24 N2 O5 S -","- C116 H96 N8 O20 S4 -","4","2","","Hou, Xi-Qiang; Wen, Jiang-Bo; Yan, Li; Du, Da-Ming","Squaramide-catalysed asymmetric Michael addition/cyclization cascade reaction of 4-arylmethylidene-2,3-dioxopyrrolidines with 2-isothiocyanato-1-indanones.","Organic & biomolecular chemistry","2021","19","33","7181","7185","10.1039/d1ob01223a","","","0.71073","MoKα","","0.0998","0.0674","","","0.1654","0.18","","","","","","0.966","","","","has coordinates","268932","2021-09-06","12:28:11",""
"7158212","3.9964","0.0003","38.647","0.003","8.7063","0.0005","90","","97.942","0.003","90","","1331.78","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Ali, Saghir; Khan, Abu T.","Metal-free synthesis of quinoline-2,4-dicarboxylate derivatives using aryl amines and acetylenedicarboxylates through a pseudo three-component reaction.","Organic & biomolecular chemistry","2021","19","32","7041","7050","10.1039/d1ob01188j","","","0.71073","MoKα","","0.086","0.0587","","","0.1844","0.2032","","","","","","1.262","","","","has coordinates","268926","2021-09-06","12:26:32",""
"7158213","17.7971","0.0005","10.5432","0.0003","10.0972","0.0003","90","","90.796","0.003","90","","1894.44","0.09","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Liu, Fengting; Wang, Min; Qu, Jiatong; Lu, Haifeng; Gao, Hongyin","Synthesis of non-C<sub>2</sub> symmetrical NOBIN-type biaryls through a cascade N-arylation and [3,3]-sigmatropic rearrangement from O-arylhydroxylamines and diaryliodonium salts.","Organic & biomolecular chemistry","2021","19","33","7246","7251","10.1039/d1ob00636c","","x-ray","1.54184","CuKα","","0.0605","0.0551","","","0.1427","0.1484","","","","","","1.047","","","","has coordinates","268930","2021-09-06","12:27:37",""
"7158214","9.4667","0.0004","10.6302","0.0004","12.236","0.0004","97.174","0.003","111.174","0.003","92.35","0.003","1134.28","0.08","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 N O3 -","- C30 H23 N O3 -","- C60 H46 N2 O6 -","2","1","","Liu, Fengting; Wang, Min; Qu, Jiatong; Lu, Haifeng; Gao, Hongyin","Synthesis of non-C<sub>2</sub> symmetrical NOBIN-type biaryls through a cascade N-arylation and [3,3]-sigmatropic rearrangement from O-arylhydroxylamines and diaryliodonium salts.","Organic & biomolecular chemistry","2021","19","33","7246","7251","10.1039/d1ob00636c","","x-ray","1.54184","CuKα","","0.0392","0.0349","","","0.0883","0.0912","","","","","","1.045","","","","has coordinates","268930","2021-09-06","12:27:49",""
"7158215","8.7634","0.0002","10.22041","0.00019","10.3147","0.0002","83.8073","0.0016","70.137","0.002","83.8485","0.0017","861.35","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br N O2 -","- C22 H16 Br N O2 -","- C44 H32 Br2 N2 O4 -","2","1","","Aksenov, Alexander V.; Arutiunov, Nikolai A.; Kirilov, Nikita K.; Aksenov, Dmitrii A.; Grishin, Igor Yu; Aksenov, Nicolai A.; Wang, Huifen; Du, Liqin; Betancourt, Tania; Pelly, Stephen C.; Kornienko, Alexander; Rubin, Michael","[3 + 2]-Annulation of pyridinium ylides with 1-chloro-2-nitrostyrenes unveils a tubulin polymerization inhibitor.","Organic & biomolecular chemistry","2021","19","33","7234","7245","10.1039/d1ob01141c","","x-ray","1.54184","CuKα","","0.036","0.0345","","","0.0834","0.0845","","","","","","1.032","","","","has coordinates","268931","2021-09-06","12:28:00",""
"7158216","6.2068","0.0002","9.6747","0.0003","23.6894","0.0006","90","","90","","90","","1422.52","0.07","160","","160","","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Zhang, Cun; Wang, Bianlin; Aibibula, Paruke; Zhao, Jiangyu; Aisa, Haji Akber","Enantioselective construction of substituted pyridine and a seven-membered carbocyclic skeleton: biomimetic synthesis of (-)-rupestine D, (-)-guaipyridine, (-)-epiguaipyridine, and (-)-cananodine and their stereoisomers.","Organic & biomolecular chemistry","2021","19","32","7081","7084","10.1039/d1ob01299a","","","1.54178","CuKα","","0.0331","0.031","","","0.0733","0.075","","","","","","1.05","","","","has coordinates","268924","2021-09-06","12:26:10",""
"7158217","4.9824","0.0002","11.7685","0.0005","10.6674","0.0005","90","","101.617","0.002","90","","612.67","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","Rupestine D","Rupestine D","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Zhang, Cun; Wang, Bianlin; Aibibula, Paruke; Zhao, Jiangyu; Aisa, Haji Akber","Enantioselective construction of substituted pyridine and a seven-membered carbocyclic skeleton: biomimetic synthesis of (-)-rupestine D, (-)-guaipyridine, (-)-epiguaipyridine, and (-)-cananodine and their stereoisomers.","Organic & biomolecular chemistry","2021","19","32","7081","7084","10.1039/d1ob01299a","","","1.54178","CuKα","","0.0395","0.0383","","","0.1012","0.1025","","","","","","1.073","","","","has coordinates","268924","2021-09-06","12:26:11",""
"7158218","11.7384","0.001","5.679","0.005","12.3352","0.001","90","","116.405","0.018","90","","736.5","0.7","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H14 B F N2 O2 -","- C17 H14 B F N2 O2 -","- C34 H28 B2 F2 N4 O4 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0468","0.0381","","","0.1074","0.1424","","","","","","1.052","","","","has coordinates","268951","2021-09-06","12:33:28",""
"7158219","5.2329","0.0002","24.0253","0.0011","21.2592","0.001","90","","95.778","0.003","90","","2659.2","0.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","aPh-BFPh","","- C31 H26 B Cl2 F N2 O2 -","- C31 H26 B Cl2 F N2 O2 -","- C124 H104 B4 Cl8 F4 N8 O8 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.8","Synchrotron","","0.0427","0.0424","","","0.1136","0.114","","","","","","1.07","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158220","8.886","0.003","11.226","0.004","17.787","0.004","90.896","0.008","98.176","0.006","110.456","0.015","1641.5","0.9","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 B F N2 O4.5 -","- C18 H14 B F N2 O4.5 -","- C72 H56 B4 F4 N8 O18 -","4","2","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0582","0.053","","","0.1467","0.15","","","","","","1.029","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158221","11.069","0.003","30.848","0.009","17.795","0.005","90","","91.689","0.007","90","","6074","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H30 B N2 O5.5 -","- C34.5 H30 B N2 O5.5 -","- C276 H240 B8 N16 O44 -","8","2","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.4275","Synchrotron","","0.1126","0.0737","","","0.1903","0.213","","","","","","1.127","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158222","5.237","0.001","8.7976","0.0015","34.892","0.005","90","","91.923","0.01","90","","1606.7","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 B F N2 O4 -","- C18 H14 B F N2 O4 -","- C72 H56 B4 F4 N8 O16 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.81088","Synchrotron","","0.2164","0.0867","","","0.17","0.227","","","","","","0.943","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158223","9.206","0.013","20.92","0.05","13.58","0.02","90","","98.09","0.17","90","","2589","8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H69 B F N3 O6 -","- C44 H69 B F N3 O6 -","- C88 H138 B2 F2 N6 O12 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.4275","Synchrotron","","0.0603","0.0544","","","0.1517","0.1714","","","","","","1.159","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158224","5.8897","0.0003","15.6222","0.0007","18.0449","0.0008","90","","96.961","0.003","90","","1648.07","0.13","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 B F N2 O4 -","- C18 H14 B F N2 O4 -","- C72 H56 B4 F4 N8 O16 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.81088","Synchrotron","","0.0516","0.0457","","","0.1157","0.1194","","","","","","1.11","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158225","12.248","0.004","12.839","0.003","14.136","0.003","109.103","0.001","99.474","0.009","108.353","0.007","1902.8","0.9","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 B F N2 O5 -","- C20 H18 B F N2 O5 -","- C80 H72 B4 F4 N8 O20 -","4","2","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0396","0.0353","","","0.0966","0.0986","","","","","","1.082","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158226","12.2597","0.0005","18.3041","0.0007","15.13","0.0006","90","","90.384","0.003","90","","3395.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 B F N3 O4 -","- C34 H49 B F N3 O4 -","- C136 H196 B4 F4 N12 O16 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.78201","Synchrotron","","0.1254","0.0719","","","0.1741","0.2276","","","","","","1.091","","","","has coordinates,has disorder","268951","2021-09-06","12:33:29",""
"7158227","8.819","0.004","19.343","0.007","22.015","0.008","90","","90","","90","","3755","3","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 B Cl F N3 O2 -","- C41 H50 B Cl F N3 O2 -","- C164 H200 B4 Cl4 F4 N12 O8 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0555","0.0451","","","0.1221","0.1281","","","","","","1.061","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158228","10.015","0.0008","11.0473","0.0013","18.5628","0.0016","88.109","0.009","76.917","0.005","87.736","0.01","1998.3","0.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H46 B Cl3 F N5 O2 -","- C46.003 H46 B Cl3 F N5 O2 -","- C92.006 H92 B2 Cl6 F2 N10 O4 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.043","0.0369","","","0.1062","0.1091","","","","","","1.094","","","","has coordinates,has disorder","268951","2021-09-06","12:33:29",""
"7158229","14.507","0.003","9.3436","0.0017","14.134","0.003","90","","90","","90","","1915.8","0.7","95","2","95","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C21 H19 B N2 O5 -","- C21 H19 B N2 O5 -","- C84 H76 B4 N8 O20 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.8104","Synchrotron","","0.0552","0.0488","","","0.123","0.1302","","","","","","1.031","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158230","6.8865","0.0007","22.291","0.003","25.817","0.002","90","","90","","90","","3963.1","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 F N2 O3 -","- C26 H17 F N2 O3 -","- C208 H136 F8 N16 O24 -","8","1","","Yadav, Maruti B.; Jeong, Yeon Tae","A one-pot ring-closure and ring-opening sequence for the cascade synthesis of dihydrofurofurans and functionalized furans.","Organic & biomolecular chemistry","2021","19","34","7409","7419","10.1039/d1ob01300a","","","0.71073","MoKα","","0.0479","0.0378","","","0.097","0.1041","","","","","","1.038","","","","has coordinates","268950","2021-09-06","12:32:38",""
"7158231","17.799","0.003","9.2371","0.0019","18.139","0.003","90","","114.941","0.004","90","","2704.1","0.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N2 O4 -","- C33 H26 N2 O4 -","- C132 H104 N8 O16 -","4","1","","Yadav, Maruti B.; Jeong, Yeon Tae","A one-pot ring-closure and ring-opening sequence for the cascade synthesis of dihydrofurofurans and functionalized furans.","Organic & biomolecular chemistry","2021","19","34","7409","7419","10.1039/d1ob01300a","","","0.71073","MoKα","","0.2063","0.0629","","","0.1336","0.2023","","","","","","0.989","","","","has coordinates","268950","2021-09-06","12:32:49",""
"7158232","6.2951","0.0002","7.8493","0.0003","16.3441","0.0005","80.613","0.003","85.44","0.003","89.52","0.003","794.25","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C36 H44 N4 O4 -","2","1","","Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.","Organic & biomolecular chemistry","2021","19","33","7147","7151","10.1039/d1ob01218e","","x-ray","1.54184","CuKα","","0.0501","0.0464","","","0.131","0.1353","","","","","","1.074","","","","has coordinates","268934","2021-09-06","12:28:37",""
"7158233","5.3374","0.0001","17.4593","0.0002","16.6786","0.0002","90","","93.097","0.001","90","","1551.96","0.04","246","16","246","16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N2 S2 -","- C16 H18 N2 S2 -","- C64 H72 N8 S8 -","4","1","","Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.","Organic & biomolecular chemistry","2021","19","33","7147","7151","10.1039/d1ob01218e","","x-ray","1.54184","CuKα","","0.0373","0.036","","","0.1026","0.1037","","","","","","1.047","","","","has coordinates","268934","2021-09-06","12:28:37",""
"7158234","8.253","0.0002","8.2551","0.0002","14.7902","0.0002","94.559","0.002","102.195","0.002","117.627","0.003","854.1","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 N2 -","- C20 H26 N2 -","- C40 H52 N4 -","2","1","","Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.","Organic & biomolecular chemistry","2021","19","33","7147","7151","10.1039/d1ob01218e","","x-ray","1.54184","CuKα","","0.0614","0.0602","","","0.1621","0.163","","","","","","1.038","","","","has coordinates","268934","2021-09-06","12:28:37",""
"7158235","16.1778","0.001","11.4254","0.0007","18.2577","0.0011","90","","90","","90","","3374.7","0.4","182","","182","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F3 O2 -","- C22 H17 F3 O2 -","- C176 H136 F24 O16 -","8","1","","Gao, Wangxi; Niu, Lixin; Wang, Tao; Liang, Yong; Wang, Ding; Zhang, Zunting","Synthesis of cis/trans-dihydrochromenones via a photoinduced rearrangement of 4-phenyl-3-aryl/cyclohexenylcoumarins.","Organic & biomolecular chemistry","2021","19","33","7176","7180","10.1039/d1ob01058a","","","0.71073","MoKα","","0.0387","0.0337","","","0.089","0.0931","","","","","","1.053","","","","has coordinates","268937","2021-09-06","12:29:00",""
"7158236","9.42743","0.00015","9.8509","0.0002","24.0927","0.0004","90","","90","","90","","2237.46","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O5 S -","- C24 H22 N2 O5 S -","- C96 H88 N8 O20 S4 -","4","1","","Yang, Zinan; He, Huakang; Tian, Rui; Wu, Ruoran; Hu, Sheng; Wu, Yue; Zhou, Hui","A zinc/PyBisulidine catalyzed asymmetric Mannich reaction of N-tosyl imines with 3-acyloxy-2-oxindoles","Organic & Biomolecular Chemistry","2021","19","34","7460","7469","10.1039/D1OB01328A","","x-ray","1.54184","CuKα","","0.0561","0.0498","","","0.1295","0.1366","","","","","","1.041","","","","has coordinates","268953","2021-09-06","12:33:45",""
"7158237","6.4713","0.0009","9.6298","0.0012","48.285","0.007","90","","90","","90","","3009","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Br N O7 P -","- C32 H35 Br N O7 P -","- C128 H140 Br4 N4 O28 P4 -","4","1","","Jaiswal, Manish K.; Singh, Sanjay; Singh, Ravi P.","Enantioselective vinylogous aldol reaction of acylphosphonates with 3-alkylidene oxindoles.","Organic & biomolecular chemistry","2021","19","36","7861","7866","10.1039/d1ob00140j","","","0.71073","MoKα","","0.0418","0.0393","","","0.1197","0.1214","","","","","","0.969","","","","has coordinates","269782","2021-10-06","16:15:56",""
"7158238","6.5171","0.0003","9.8455","0.0006","48.456","0.003","90","","90","","90","","3109.1","0.3","302","2","302","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Br N O7 P -","- C32 H35 Br N O7 P -","- C128 H140 Br4 N4 O28 P4 -","4","1","","Jaiswal, Manish K.; Singh, Sanjay; Singh, Ravi P.","Enantioselective vinylogous aldol reaction of acylphosphonates with 3-alkylidene oxindoles.","Organic & biomolecular chemistry","2021","19","36","7861","7866","10.1039/d1ob00140j","","","0.71073","MoKα","","0.0908","0.0489","","","0.12","0.1455","","","","","","0.819","","","","has coordinates","269782","2021-10-06","16:15:56",""
"7158239","9.5302","0.0003","9.5302","0.0003","19.3236","0.0005","90","","90","","90","","1755.06","0.09","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C19 H17 F N2 O5 -","- C19 H17 F N2 O5 -","- C76 H68 F4 N8 O20 -","4","1","","Chen, Huiqing; Tang, Jie; Liu, Ting; Yu, Li-Fang; Xing, Dong; Yang, Fan","Enantioselective synthesis of chiral 3-alkyl-3-nitro-4-chromanones via chiral thiourea-catalysed intramolecular Michael-type cyclization.","Organic & biomolecular chemistry","2021","19","34","7403","7408","10.1039/d1ob01296g","","","1.54178","CuKα","","0.0307","0.029","","","0.0713","0.0726","","","","","","1.048","","","","has coordinates","268949","2021-09-06","12:32:25",""
"7158240","11.7188","0.0009","11.8757","0.0009","13.5901","0.001","90","","90","","90","","1891.3","0.2","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Br I N2 -","- C6 H10 Br I N2 -","- C48 H80 Br8 I8 N16 -","8","1","","Alvarez, Marie Stacey; Houzé, Cedric; Groni, Sihem; Schöllhorn, Bernd; Fave, Claire","Halogen bonding effect on electrochemical anion oxidation in ionic liquids.","Organic & biomolecular chemistry","2021","19","35","7587","7593","10.1039/d1ob01031j","","","0.71073","MoKα","","0.0382","0.0263","","","0.061","0.0696","","","","","","1.111","","","","has coordinates","269786","2021-10-06","16:16:39",""
"7158241","15.7331","0.0003","13.3955","0.0003","23.5749","0.0005","90","","90","","90","","4968.47","0.18","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 I6 N4 -","- C12 H20 I6 N4 -","- C96 H160 I48 N32 -","8","1","","Alvarez, Marie Stacey; Houzé, Cedric; Groni, Sihem; Schöllhorn, Bernd; Fave, Claire","Halogen bonding effect on electrochemical anion oxidation in ionic liquids.","Organic & biomolecular chemistry","2021","19","35","7587","7593","10.1039/d1ob01031j","","","0.71073","MoKα","","0.0371","0.0267","","","0.0573","0.0626","","","","","","1.051","","","","has coordinates,has disorder","269786","2021-10-06","16:16:39",""
"7158242","4.34","0.0009","25.45","0.005","11.54","0.002","90","","99.909","0.012","90","","1255.6","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N7 -","- C13 H9 N7 -","- C52 H36 N28 -","4","1","","Tsyrenova, Biligma D.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of blue light emitting heterocycles <i>via</i> cyclization of 2-pyridine derived 4-azido-r1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","37","8140","8152","10.1039/d1ob01084k","","","0.79313","synchrotron","","0.1306","0.0572","","","0.1423","0.1853","","","","","","1.013","","","","has coordinates","269769","2021-10-06","16:12:43",""
"7158243","7.2746","0.001","13.4066","0.0018","10.9808","0.0016","90","","95.693","0.003","90","","1065.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N5 -","- C13 H9 N5 -","- C52 H36 N20 -","4","1","","Tsyrenova, Biligma D.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of blue light emitting heterocycles <i>via</i> cyclization of 2-pyridine derived 4-azido-r1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","37","8140","8152","10.1039/d1ob01084k","","","0.71073","MoKα","","0.0718","0.049","","","0.1233","0.1388","","","","","","1.035","","","","has coordinates","269769","2021-10-06","16:12:53",""
"7158244","6.0935","0.0001","9.7182","0.0002","22.0737","0.0005","90","","90.354","0.001","90","","1307.13","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 N5 -","- C17 H11 N5 -","- C68 H44 N20 -","4","1","","Tsyrenova, Biligma D.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of blue light emitting heterocycles <i>via</i> cyclization of 2-pyridine derived 4-azido-r1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","37","8140","8152","10.1039/d1ob01084k","","","0.71073","MoKα","","0.0685","0.0472","","","0.1213","0.1382","","","","","","1.024","","","","has coordinates,has disorder","269769","2021-10-06","16:12:54",""
"7158245","12.4916","0.0003","14.1803","0.0003","18.3463","0.0005","90","","103.83","0.007","90","","3155.55","0.16","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 I2 O4 -","- C34 H28 I2 O4 -","- C136 H112 I8 O16 -","4","1","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54187","CuKα","","0.0864","0.0705","","","0.1979","0.2089","","","","","","1.128","","","","has coordinates,has disorder","269789","2021-10-06","16:17:13",""
"7158246","23.5796","0.0015","15.5436","0.001","11.2836","0.0008","90","","102.796","0.007","90","","4032.9","0.5","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 O6 -","- C48 H42 O6 -","- C192 H168 O24 -","4","0.5","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54187","CuKα","","0.1366","0.1266","","","0.3261","0.3326","","","","","","1.261","","","","has coordinates,has disorder","269789","2021-10-06","16:17:23",""
"7158247","10.913","0.004","7.442","0.003","16.072","0.005","90","","101.62","0.03","90","","1278.5","0.8","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H28 O4 -","- C34 H28 O4 -","- C68 H56 O8 -","2","1","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54178","CuKα","","0.2178","0.1184","","","0.2748","0.3523","","","","","","0.933","","","","has coordinates","269789","2021-10-06","16:17:28",""
"7158248","10.24137","0.00019","11.9283","0.0002","13.3381","0.0002","113.529","0.008","109.913","0.008","93.193","0.007","1369.46","0.15","104","","104","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 I O4 -","- C34 H29 I O4 -","- C68 H58 I2 O8 -","2","1","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54187","CuKα","","0.0365","0.0357","","","0.0915","0.092","","","","","","1.077","","","","has coordinates","269789","2021-10-06","16:17:37",""
"7158250","10.0469","0.0001","10.3794","0.0002","16.33","0.0003","90","","90","","90","","1702.91","0.05","170","0.1","170","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Li, Wenzhong; Wang, Yu; Qi, Huijing; Shi, Ran; Li, Jiazhu; Chen, Si; Xu, Xin-Ming; Wang, Wei-Li","Diverse privileged <i>N</i>-polycyclic skeletons accessed from a metal-free cascade cyclization reaction.","Organic & biomolecular chemistry","2021","19","37","8086","8095","10.1039/d1ob01206a","","x-ray","0.71073","MoKα","","0.0326","0.0308","","","0.0818","0.0831","","","","","","1.017","","","","has coordinates","269776","2021-10-06","16:14:14",""
"7158251","10.7269","0.0001","10.7269","0.0001","14.5422","0.0003","90","","90","","90","","1673.32","0.04","170","0.1","170","0.1","","","","","","","","5","P 43","P 4cw","78","","","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","","Li, Wenzhong; Wang, Yu; Qi, Huijing; Shi, Ran; Li, Jiazhu; Chen, Si; Xu, Xin-Ming; Wang, Wei-Li","Diverse privileged <i>N</i>-polycyclic skeletons accessed from a metal-free cascade cyclization reaction.","Organic & biomolecular chemistry","2021","19","37","8086","8095","10.1039/d1ob01206a","","x-ray","0.71073","MoKα","","0.033","0.0279","","","0.056","0.0574","","","","","","1.06","","","","has coordinates","269776","2021-10-06","16:14:14",""
"7158252","10.6034","0.0008","12.769","0.0011","10.619","0.0009","90","","110.867","0.009","90","","1343.5","0.2","297","","297","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.1017","0.0611","","","0.1172","0.1372","","","","","","1.061","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158253","9.8768","0.001","9.9849","0.0014","10.2735","0.0014","106.386","0.012","91.697","0.01","116.134","0.012","858.6","0.2","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 Cl N2 -","- C23 H15 Cl N2 -","- C46 H30 Cl2 N4 -","2","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.0975","0.0528","","","0.1062","0.1296","","","","","","1.021","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158254","9.9767","0.0011","10.2","0.0011","10.3359","0.0012","107.613","0.01","91.055","0.009","117.427","0.011","874.2","0.2","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N3 O2 -","- C23 H15 N3 O2 -","- C46 H30 N6 O4 -","2","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.1216","0.0626","","","0.1243","0.1541","","","","","","1.017","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158255","10.052","0.0009","10.4783","0.0011","18.7614","0.0015","90","","93.129","0.008","90","","1973.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cl N2 -","- C25 H19 Cl N2 -","- C100 H76 Cl4 N8 -","4","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.0934","0.056","","","0.1132","0.1327","","","","","","1.035","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158256","9.9393","0.0011","10.0786","0.0016","10.2828","0.0011","106.688","0.012","91.551","0.009","116.591","0.013","867.6","0.2","297","","297","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C48 H36 N4 -","2","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.1015","0.0544","","","0.1159","0.1464","","","","","","1.05","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158257","13.1197","0.0004","15.7488","0.0005","16.2572","0.0005","103.53","0.0009","99.6156","0.0009","105.348","0.0009","3054.01","0.17","200","","200","","","","101","","","","","5","P -1","-P 1","2","","","","- C59 H71 N O14 S5 -","- C59 H71 N O14 S5 -","- C118 H142 N2 O28 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54178","CuKα","","0.0395","0.038","","0.1041","0.1024","0.1038","","","","","","0.9754","","","","has coordinates,has disorder","269774","2021-10-06","16:13:45",""
"7158258","13.12948","0.00015","14.11541","0.00019","19.1344","0.0002","94.9881","0.001","105.935","0.001","114.83","0.0012","3010.41","0.08","95","","95","","","","101","","","","","5","P -1","-P 1","2","","","","- C55.3 H71.91 N3.3 O16.6 S5 -","- C55.3022 H71.9066 N3.3022 O16.6044 S5 -","- C110.604 H143.813 N6.6044 O33.2088 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54184","CuKα","","0.0299","0.0281","","0.0761","0.0745","0.0761","","","","","","0.9678","","","","has coordinates,has disorder","269774","2021-10-06","16:13:46",""
"7158259","15.2602","0.001","15.3461","0.001","15.8961","0.001","111.084","0.002","108.289","0.002","93.047","0.002","3239.5","0.4","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H78 N4 O20 S5 -","- C58 H78 N4 O20 S5 -","- C116 H156 N8 O40 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","0.71073","MoKα","","0.0499","0.0408","","0.1083","0.1034","0.1083","","","","","","1.0078","","","","has coordinates","269774","2021-10-06","16:13:46",""
"7158260","15.8648","0.0005","13.9916","0.0003","19.6709","0.0006","90","","95.999","0.003","90","","4342.5","0.2","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 O12 S4 -","- C42 H50 O12 S4 -","- C168 H200 O48 S16 -","4","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54178","CuKα","","0.0392","0.0345","","0.0942","0.0898","0.0942","","","","","","0.9893","","","","has coordinates,has disorder","269774","2021-10-06","16:13:46",""
"7158261","13.7779","0.0004","14.4703","0.0004","14.6125","0.0004","81.1803","0.0012","76.6391","0.001","63.6398","0.001","2535.42","0.13","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H64 O12 S5 -","- C48 H64 O12 S5 -","- C96 H128 O24 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54178","CuKα","","0.0604","0.0523","","0.1406","0.1332","0.1406","","","","","","0.9935","","","","has coordinates,has disorder","269774","2021-10-06","16:13:46",""
"7158262","36.302","0.008","17.985","0.004","8.873","0.002","90","","90","","90","","5793","2","293","2","293.06","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C33 H32 O -","- C33 H32 O -","- C264 H256 O8 -","8","1","","Feng, Yi-Man; Nie, Xiao-Di; Sun, Jian-Ting; Xu, Wen-Ke; Wei, Bang-Guo","TMSOTf-mediated synthesis of skipped dienes through the addition of olefins to imines and semicyclic <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2021","19","36","7883","7893","10.1039/d1ob01370j","","","0.71073","MoKα","","0.1704","0.0989","","","0.2551","0.3205","","","","","","0.995","","","","has coordinates,has disorder","269779","2021-10-06","16:15:30",""
"7158263","18.4643","0.0012","8.6875","0.0006","32.046","0.002","90","","90","","90","","5140.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C35 H27 F -","- C35 H27 F -","- C280 H216 F8 -","8","1","","Feng, Yi-Man; Nie, Xiao-Di; Sun, Jian-Ting; Xu, Wen-Ke; Wei, Bang-Guo","TMSOTf-mediated synthesis of skipped dienes through the addition of olefins to imines and semicyclic <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2021","19","36","7883","7893","10.1039/d1ob01370j","","","0.71073","MoKα","","0.1079","0.0524","","","0.1","0.1268","","","","","","1.078","","","","has coordinates,has disorder","269779","2021-10-06","16:15:31",""
"7158264","4.5418","0.0003","10.9707","0.0007","11.8989","0.0006","109.638","0.004","92.037","0.004","101.081","0.005","544.76","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Br N O3 -","- C9 H14 Br N O3 -","- C18 H28 Br2 N2 O6 -","2","1","","Chen, Xiao Yun; Yuan, Shuxia; Chen, Yan; Sun, Chenyang; Tang, Yaonan; Chen, Guang; Zhu, Baocheng; Chen, Kaiwei; Zheng, Shaojun; Cheng, Xiaofang","Solvent-controlled two-step one-pot syntheses of α-X (X = Br or Cl) enamino ketones/esters and 3-(2,5-dioxopyrrolidin-1-yl)acrylate by using terminal carbonyl alkynes.","Organic & biomolecular chemistry","2021","19","36","7914","7919","10.1039/d1ob01308d","","","0.71073","MoKα","","0.0451","0.0355","","","0.0907","0.0953","","","","","","1.038","","","","has coordinates","269778","2021-10-06","16:15:18",""
"7158265","8.8556","0.0003","6.92143","0.00019","9.428","0.0003","90","","111.887","0.004","90","","536.22","0.03","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0404","0.0399","","","0.1079","0.1086","","","","","","1.054","","","","has coordinates","268952","2021-09-06","12:33:37",""
"7158266","6.94293","0.00012","9.02763","0.00016","18.0531","0.0003","90","","90","","90","","1131.54","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0315","0.0311","","","0.0822","0.0824","","","","","","1.05","","","","has coordinates","268952","2021-09-06","12:33:38",""
"7158267","6.956","0.0002","8.4636","0.0003","19.6496","0.0006","90","","90","","90","","1156.83","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0374","0.0366","","","0.0984","0.0993","","","","","","1.055","","","","has coordinates","268952","2021-09-06","12:33:38",""
"7158268","6.8325","0.0003","15.642","0.0008","8.9374","0.0005","90","","92.861","0.005","90","","953.98","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C48 H36 N4 O2 S2 -","2","1","","Li, Chen-Yi; Xiang, Min; Zhang, Jian; Li, Wen-Sheng; Zou, Ying; Tian, Fang; Wang, Li-Xin","Organocatalytic enantioselective aza-Friedel-Crafts reaction between benzothiazolimines and 2-naphthols for the preparation of chiral 2'-aminobenzothiazolomethyl naphthols.","Organic & biomolecular chemistry","2021","19","35","7690","7694","10.1039/d1ob01443a","","x-ray","1.54184","CuKα","","0.0676","0.0566","","","0.1347","0.1433","","","","","","1.048","","","","has coordinates","269788","2021-10-06","16:16:55",""
"7158269","7.5321","0.0003","8.0983","0.0003","9.2836","0.0004","71.4315","0.0018","73.3773","0.0017","66.8118","0.0019","484.97","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H14 N4 -","- C10 H14 N4 -","- C20 H28 N8 -","2","1","","Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.","Organic & biomolecular chemistry","2021","19","35","7641","7654","10.1039/d1ob01318a","","","1.54178","CuKα","","0.0492","0.0459","","","0.1321","0.1352","","","","","","1.126","","","","has coordinates","269787","2021-10-06","16:16:49",""
"7158270","16.5743","0.0011","4.646","0.0003","12.7547","0.0009","90","","97.57","0.003","90","","973.61","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N4 O2 -","- C20 H30 N4 O2 -","- C40 H60 N8 O4 -","2","0.5","","Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.","Organic & biomolecular chemistry","2021","19","35","7641","7654","10.1039/d1ob01318a","","","0.71073","MoKα","","0.0699","0.0455","","","0.1177","0.1316","","","","","","1.034","","","","has coordinates,has disorder","269787","2021-10-06","16:16:49",""
"7158271","8.297","0.0003","9.2575","0.0003","15.0135","0.0005","87.5026","0.0018","80.0574","0.0019","64.7954","0.0017","1027.14","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H32 N4 O2 -","- C21 H32 N4 O2 -","- C42 H64 N8 O4 -","2","1","","Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.","Organic & biomolecular chemistry","2021","19","35","7641","7654","10.1039/d1ob01318a","","","0.71073","MoKα","","0.1287","0.0491","","","0.1221","0.1428","","","","","","1.035","","","","has coordinates","269787","2021-10-06","16:16:49",""
"7158272","8.7553","0.0002","6.4721","0.0003","28.2921","0.001","90","","97.357","0.003","90","","1589.98","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl F3 O2 S2 -","- C15 H12 Cl F3 O2 S2 -","- C60 H48 Cl4 F12 O8 S8 -","4","1","","Li, Jiuling; Li, Bin; Chen, Juan; Jia, Xinyu; Wang, Min; Hao, Chengjun; Zheng, Xinhua; Dai, Hongmei; Hu, Wenhao","Catalyst-free <i>gem</i>-chlorosulfurization of difluoromethyl-substituted diazo compounds with disulfide and PhICl<sub>2</sub>.","Organic & biomolecular chemistry","2021","19","37","8030","8034","10.1039/d1ob01422f","","x-ray","1.54184","CuKα","","0.0774","0.0565","","","0.1334","0.1449","","","","","","1.052","","","","has coordinates,has disorder","269771","2021-10-06","16:13:09",""
"7158273","7.7741","0.0004","11.2133","0.0006","13.2379","0.0007","71.466","0.001","74.538","0.001","81.457","0.001","1051.97","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-(1-(4-Bromophenyl)-3-methoxy-3-oxoprop-1-en-2-yl)-1H-indole-3-carboxylic acid","","- C22 H20 Br N O5 -","- C22 H20 Br N O5 -","- C44 H40 Br2 N2 O10 -","2","1","","Ramos-Orea, Aldahir; Ramírez-Apan, Teresa; Chávez-Santos, Rosa María; Aguayo-Ortiz, Rodrigo; Espitia, Clara; Silva Miranda, Mayra; Torres-Ochoa, Rubén O; Martínez, Roberto","Total syntheses and antiproliferative activities of prenostodione and its analogues.","Organic & biomolecular chemistry","2021","19","38","8272","8280","10.1039/d1ob00897h","","","0.71073","MoKα","","0.1013","0.0478","","","0.0897","0.1067","","","","","","1.011","","","","has coordinates","270513","2021-11-06","20:43:53",""
"7158274","6.2592","0.0003","14.9217","0.0007","13.9603","0.0005","90","","95.929","0.002","90","","1296.89","0.1","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 F2 N2 O3 -","- C12 H10 F2 N2 O3 -","- C48 H40 F8 N8 O12 -","4","1","","Wang, Qian; Gong, Haiying; Zhang, Yifang; Peng, Yi; Chen, Hua; Li, Mingjie; Deng, Hongmei; Hao, Jian; Wan, Wen","Visible-light mediated stereospecific C(sp<sup>2</sup>)-H difluoroalkylation of (<i>Z</i>)-aldoximes.","Organic & biomolecular chemistry","2021","19","36","7867","7874","10.1039/d1ob01401c","","","0.71073","MoKα","","0.0963","0.0577","","","0.1573","0.1911","","","","","","1.041","","","","has coordinates","269780","2021-10-06","16:15:43",""
"7158275","7.2273","0.0005","10.1947","0.0006","10.5388","0.0007","90.94","0.002","96.739","0.002","101.524","0.002","754.96","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Peyonine","1-(3,4,5-trimethoxyphenethyl)-1H-pyrrole-2-carboxylic acid","","- C32 H38 N2 O10 -","- C32 H38 N2 O10 -","- C32 H38 N2 O10 -","1","0.5","","Rao, Maddali L. N.; Islam, Sk Shamim; Dasgupta, Priyabrata","Copper-catalyzed domino synthesis of ynamines.","Organic & biomolecular chemistry","2021","19","36","7855","7860","10.1039/d1ob01383a","","","0.71073","MoKα","","0.0698","0.0446","","","0.0973","0.1069","","","","","","1.032","","","","has coordinates","269781","2021-10-06","16:15:49",""
"7158276","27.3068","0.0011","7.9003","0.0003","18.7137","0.0008","90","","108.028","0.001","90","","3838.9","0.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cl N2 O4 -","- C21 H17 Cl N2 O4 -","- C168 H136 Cl8 N16 O32 -","8","1","","Ramaraju, Andhavaram; Upare, Atul; Blanch, Ewan W.; Maniam, Subashani; Sridhar, Balasubramanian; Bathula, Surendar Reddy; Raji Reddy, Chada","Chemoselective [3 + 2] annulation of oxime acetate with 2-aryl-3-ethoxycarbonyl-pyrroline-4,5-dione: an entry to pyrrolo[2,3-<i>b</i>]pyrrole derivatives.","Organic & biomolecular chemistry","2021","19","36","7875","7882","10.1039/d1ob00990g","","","0.71073","MoKα","","0.089","0.0808","","","0.2084","0.2161","","","","","","1.102","","","","has coordinates,has disorder","269783","2021-10-06","16:16:03",""
"7158277","19.2136","0.0002","10.6907","0.0001","8.1348","0.0001","90","","98.4","0.001","90","","1653.02","0.03","110","15","110","15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Liao, Shengrong; Xu, Huayan; Yang, Bin; Wang, Junfeng; Zhou, Xuefeng; Lin, Xiuping; Liu, Yonghong","Gold-catalyzed oxidation of terminal alkynes to glyoxals and their reactions with 2-phenylimidazo[1,2-<i>a</i>]pyridines: one-pot synthesis of 1,2-diones.","Organic & biomolecular chemistry","2021","19","40","8735","8739","10.1039/d1ob01507a","","x-ray","1.54184","CuKα","","0.0421","0.0392","","","0.1096","0.1121","","","","","","1.068","","","","has coordinates","270508","2021-11-06","20:42:44",""
"7158278","25.3513","0.0005","13.438","0.0007","9.4134","0.0012","90","","90","","90","","3206.9","0.4","250","2","250","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","2","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.1163","0.072","","","0.1638","0.2001","","","","","","1.026","","","","has coordinates,has disorder","269773","2021-10-06","16:13:29",""
"7158279","13.0488","0.0006","7.7427","0.0005","10.6551","0.0005","90","","90","","90","","1076.52","0.1","250","2","250","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.043","0.0295","","","0.0685","0.0732","","","","","","1.032","","","","has coordinates","269773","2021-10-06","16:13:29",""
"7158280","7.0872","0.0008","12.3506","0.0016","16.599","0.002","90","","90","","90","","1452.9","0.3","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.1384","0.0471","","","0.0857","0.114","","","","","","0.964","","","","has coordinates","269773","2021-10-06","16:13:29",""
"7158281","4.787","0.007","13.87","0.02","21.66","0.02","72.77","0.05","90","","90","","1374","3","273.15","","273.15","","","","","","","","","3","P -1","-P 1","2","","GSCBS5_265","","- C34 H36 O2 -","- C34 H36 O2 -","- C68 H72 O4 -","2","1","","Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana","[Pd]-Catalyzed <i>para</i>-selective allylation of phenols: access to 4-[(<i>E</i>)-3-aryl/alkylprop-2-enyl]phenols.","Organic & biomolecular chemistry","2021","19","38","8259","8263","10.1039/d1ob01489g","","","0.71073","MoKα","","0.5151","0.1342","","","0.2736","0.5038","","","","","","0.838","","","","has coordinates","270514","2021-11-06","20:44:00",""
"7158282","8.4709","0.0003","9.983","0.0003","11.1522","0.0004","72.48","0.001","75.864","0.001","69.734","0.001","833.28","0.05","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana","[Pd]-Catalyzed <i>para</i>-selective allylation of phenols: access to 4-[(<i>E</i>)-3-aryl/alkylprop-2-enyl]phenols.","Organic & biomolecular chemistry","2021","19","38","8259","8263","10.1039/d1ob01489g","","","0.71073","MoKα","","0.0734","0.0454","","","0.1116","0.1253","","","","","","1.039","","","","has coordinates","270514","2021-11-06","20:44:01",""
"7158283","8.2775","0.0007","5.2464","0.0005","17.4065","0.0011","90","","92.906","0.007","90","","754.94","0.11","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Br O -","- C17 H17 Br O -","- C34 H34 Br2 O2 -","2","1","","Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana","[Pd]-Catalyzed <i>para</i>-selective allylation of phenols: access to 4-[(<i>E</i>)-3-aryl/alkylprop-2-enyl]phenols.","Organic & biomolecular chemistry","2021","19","38","8259","8263","10.1039/d1ob01489g","","","0.71073","MoKα","","0.122","0.0554","","","0.1538","0.2172","","","","","","0.977","","","","has coordinates","270514","2021-11-06","20:44:01",""
"7158284","10.3698","0.0004","12.1098","0.0005","29.2861","0.0012","90","","92.224","0.002","90","","3674.9","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F3 O2 -","- C21 H17 F3 O2 -","- C168 H136 F24 O16 -","8","2","","Priyanka, Chiliveru; Subbarao, Muppidi; Punna, Nagender","Palladium-catalyzed <i>ortho</i>-vinylation of β-naphthols with α-trifluoromethyl allyl carbonates: one-pot access to naphtho[2,1-<i>b</i>]furans.","Organic & biomolecular chemistry","2021","19","38","8241","8245","10.1039/d1ob01429c","","","0.71073","MoKα","","0.1083","0.0671","","","0.181","0.2111","","","","","","1.04","","","","has coordinates","270515","2021-11-06","20:44:07",""
"7158285","7.0134","0.0004","7.0858","0.0005","15.5319","0.001","96.28","0.004","90.168","0.004","104.398","0.004","742.77","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C H Cl N O S -","- C4.75 H2.75 N0.25 O0.5 S0.25 -","- C38 H22 N2 O4 S2 -","8","4","","Singh, Rashmi; Sharma, Vishal Prasad; Yadav, Priyanka; Sonker, Priyanka; Singh, Radhey Mohan; Tewari, Ashish Kumar","Sodium sulphide promoted synthesis of fused quinoline at room temperature.","Organic & biomolecular chemistry","2021","19","37","8108","8112","10.1039/d1ob01085a","","","0.71073","MoKα","","0.0806","0.0552","","","0.1578","0.1838","","","","","","0.837","","","","has coordinates","269775","2021-10-06","16:13:56",""
"7158286","29.725","0.002","29.725","0.002","7.0358","0.0008","90","","90","","90","","6216.7","0.9","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C304 H224 N32 O32 -","16","1","","Singh, Rashmi; Sharma, Vishal Prasad; Yadav, Priyanka; Sonker, Priyanka; Singh, Radhey Mohan; Tewari, Ashish Kumar","Sodium sulphide promoted synthesis of fused quinoline at room temperature.","Organic & biomolecular chemistry","2021","19","37","8108","8112","10.1039/d1ob01085a","","","0.71073","MoKα","","0.1242","0.0587","","","0.1524","0.1871","","","","","","0.942","","","","has coordinates","269775","2021-10-06","16:14:05",""
"7158287","6.59045","0.00005","19.69096","0.00012","23.49012","0.00017","90","","90","","90","","3048.37","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H23 Br O6 -","- C35 H23 Br O6 -","- C140 H92 Br4 O24 -","4","2","","Yan, Juzhang; Zheng, Xiurong; Zheng, Yangqing; Zhan, Ruoting; Huang, Huicai","Asymmetric Michael reaction of 3-homoacyl coumarins with chromone-fused dienes toward enantioenriched coumarin chromone skeletons.","Organic & biomolecular chemistry","2021","19","37","8102","8107","10.1039/d1ob01200b","","x-ray","1.54184","CuKα","","0.0467","0.0453","","","0.1279","0.1293","","","","","","1.045","","","","has coordinates","269777","2021-10-06","16:14:21",""
"7158288","8.1289","0.0007","10.9783","0.0011","17.3875","0.0016","82.153","0.003","79.194","0.003","71.829","0.003","1443.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N4 O -","- C17 H16 N4 O -","- C68 H64 N16 O4 -","4","2","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.0623","0.0452","","","0.1072","0.1179","","","","","","1.035","","","","has coordinates","270501","2021-11-06","20:41:42",""
"7158289","8.275","0.006","9.736","0.009","16.38","0.015","90","","90","","90","","1320","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(pyridin-4-ylmethyl)-2,4-dihydroimidazol[1,2-a]quinazolin-5(1H)-one","","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C64 H56 N16 O4 -","4","1","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.0378","0.0338","","","0.0897","0.0931","","","","","","1.077","","","","has coordinates","270501","2021-11-06","20:41:43",""
"7158290","7.6364","0.0012","24.214","0.004","8.2875","0.0013","90","","108.818","0.007","90","","1450.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(2-methylbenzyl)-2,4-dihydroimidazol[1,2-a]quinazolin-5(1H)-one","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.113","0.0549","","","0.1033","0.1229","","","","","","1.034","","","","has coordinates","270501","2021-11-06","20:41:43",""
"7158291","7.061","0.003","16.611","0.008","19.595","0.009","65.759","0.01","87.399","0.011","80.205","0.01","2064.3","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C102 H90 N18 O6 -","6","3","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.0865","0.051","","","0.1176","0.1402","","","","","","1.037","","","","has coordinates","270501","2021-11-06","20:41:43",""
"7158292","8.7091","0.0006","24.6511","0.0016","9.7352","0.0007","90","","94.492","0.003","90","","2083.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N6 O9 -","- C16 H26 N6 O9 -","- C64 H104 N24 O36 -","4","1","","Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin","Hydrophilic and hydrophobic carboxamide pincers as anion hosts.","Organic & biomolecular chemistry","2021","19","39","8516","8520","10.1039/d1ob01605a","","","1.54178","CuKα","","0.0561","0.0511","","","0.1429","0.148","","","","","","1.024","","","","has coordinates","270506","2021-11-06","20:42:14",""
"7158293","44.553","0.004","4.9317","0.0004","15.7652","0.0015","90","","90.399","0.006","90","","3463.9","0.5","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 N6 O4 -","- C32 H56 N6 O4 -","- C128 H224 N24 O16 -","4","0.5","","Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin","Hydrophilic and hydrophobic carboxamide pincers as anion hosts.","Organic & biomolecular chemistry","2021","19","39","8516","8520","10.1039/d1ob01605a","","","1.54178","CuKα","","0.1406","0.1242","","","0.2927","0.3011","","","","","","1.122","","","","has coordinates","270506","2021-11-06","20:42:15",""
"7158294","11.0587","0.0019","14.955","0.003","8.8548","0.0015","90","","101.133","0.002","90","","1436.9","0.5","228","2","228","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 N6 O12 -","- C24 H40 N6 O12 -","- C48 H80 N12 O24 -","2","0.5","","Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin","Hydrophilic and hydrophobic carboxamide pincers as anion hosts.","Organic & biomolecular chemistry","2021","19","39","8516","8520","10.1039/d1ob01605a","","","0.71073","MoKα","","0.1009","0.0512","","","0.1084","0.1334","","","","","","1.025","","","","has coordinates","270506","2021-11-06","20:42:15",""
"7158295","10.9301","0.0007","12.0124","0.0011","16.8138","0.0012","69.946","0.008","72.758","0.006","64.698","0.008","1845.4","0.3","140.15","","140.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N3 O -","- C20 H27 N3 O -","- C80 H108 N12 O4 -","4","2","","Bormann, Carl Thomas; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis of bicyclic vinyl triazenes by Ficini-type reactions.","Organic & biomolecular chemistry","2021","19","37","8113","8117","10.1039/d1ob01546j","","x-ray","1.54184","CuKα","","0.0883","0.081","","","0.245","0.2503","","","","","","1.048","","","","has coordinates","269772","2021-10-06","16:13:16",""
"7158296","7.80574","0.00008","34.1537","0.0003","9.6271","0.00009","90","","95.7493","0.0009","90","","2553.63","0.04","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 N4 O3 S -","- C26 H36 N4 O3 S -","- C104 H144 N16 O12 S4 -","4","1","","Bormann, Carl Thomas; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis of bicyclic vinyl triazenes by Ficini-type reactions.","Organic & biomolecular chemistry","2021","19","37","8113","8117","10.1039/d1ob01546j","","x-ray","1.54184","CuKα","","0.033","0.031","","","0.0799","0.0816","","","","","","1.022","","","","has coordinates","269772","2021-10-06","16:13:16",""
"7158297","9.3141","0.0001","7.60332","0.0001","20.7811","0.0002","90","0.0009","93.9407","0.0009","90","0.001","1468.2","0.03","297.4","0.3","297.4","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Bandyopadhyay, Debashruti; Thirupathi, Annaram; Radhakrishnan, Divya; Panigrahi, Adyasha; Peruncheralathan, S.","Triflic acid-mediated N-heteroannulation of β-anilino-β-(methylthio)acrylonitriles: a facile synthesis of 4-amino-2-(methylthio)quinolines.","Organic & biomolecular chemistry","2021","19","39","8544","8553","10.1039/d1ob01151k","","x-ray","1.54184","CuKα","","0.0434","0.0414","","","0.1172","0.1186","","","","","","1.038","","","","has coordinates","270505","2021-11-06","20:42:07",""
"7158298","11.069","0.002","19.863","0.004","14.418","0.003","90","","93.29","0.03","90","","3164.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,9-bis-(4-nitrophenyl)urea-9(10H)-acridinone","1,9-bis-(4-nitrophenyl)urea-9(10H)-acridinone","","- C31 H31 N7 O9 S2 -","- C31 H31 N7 O9 S2 -","- C124 H124 N28 O36 S8 -","4","1","","McNaughton, Daniel A.; Macreadie, Lauren K.; Gale, Philip A.","Acridinone-based anion transporters.","Organic & biomolecular chemistry","2021","19","44","9659","9674","10.1039/d1ob01545a","","","0.71073","synchrotron","","0.1187","0.1079","","","0.3095","0.3192","","","","","","1.034","","","","has coordinates,has disorder","271208","2021-12-07","03:50:10",""
"7158299","6.062","0.002","12.279","0.005","13.666","0.005","75.605","0.008","86.331","0.008","89.054","0.009","983.3","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","","(5S,10R)-8-(4-Bromophenyl)-6-imino-4-methyl-1-oxo-10-phenyl-2-oxa-3-azaspiro[4.5]de ca-3,7-diene-7-carbonitrile","","- C22 H16 Br N3 O2 -","- C22 H16 Br N3 O2 -","- C44 H32 Br2 N6 O4 -","2","2","","Wang, Yu; Niu, Cheng; Xie, Dong-Hua; Du, Da-Ming","A bifunctional squaramide-catalysed enantioselective vinylogous Michael addition/cyclization cascade reaction of 4-unsaturated isoxazol-5-ones and α,α-dicyanoalkenes.","Organic & biomolecular chemistry","2021","19","39","8572","8577","10.1039/d1ob01256h","","","0.71073","MoKα","","0.1278","0.0433","","","0.0777","0.0977","","","","","","0.901","","","","has coordinates","270504","2021-11-06","20:42:00",""
"7158300","7.0824","0.0005","9.9984","0.0008","11.3089","0.0009","113.621","0.008","101.541","0.007","100.342","0.007","688.15","0.11","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H24 Br F3 N2 O5 -","- C29 H24 Br F3 N2 O5 -","- C29 H24 Br F3 N2 O5 -","1","1","","Wang, Rui-Li; Jia, Shi-Kun; Guo, Ya-Jun; Yi, Yang; Hua, Yuan-Zhao; Lu, Hui-Jie; Wang, Min-Can","Dinuclear zinc-catalyzed enantioselective formal [3 + 2] cycloaddition of <i>N</i>-2,2,2-trifluoroethylisatin ketimines with low reactivity aurone derivatives.","Organic & biomolecular chemistry","2021","19","39","8492","8496","10.1039/d1ob01599k","","","1.54184","CuKα","","0.0595","0.0487","","","0.1188","0.1303","","","","","","1.028","","","","has coordinates","270502","2021-11-06","20:41:48",""
"7158301","10.0685","0.0003","10.1743","0.0003","20.3368","0.0006","90","","90","","90","","2083.3","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.076","0.0523","","","0.1299","0.1456","","","","","","1.029","","","","has coordinates","270493","2021-11-06","20:40:32",""
"7158302","10.1003","0.0003","10.1984","0.0003","20.2551","0.0005","90","","90","","90","","2086.42","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.0834","0.0625","","","0.1803","0.1969","","","","","","1.067","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158303","10.1047","0.0002","10.1997","0.0003","20.2588","0.0005","90","","90","","90","","2087.97","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.0837","0.0604","","","0.1758","0.1937","","","","","","1.079","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158304","10.0659","0.0002","10.174","0.0003","20.3251","0.0005","90","","90","","90","","2081.5","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.072","0.0506","","","0.1279","0.1412","","","","","","1.059","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158305","9.8031","0.0005","12.4858","0.0006","14.4741","0.0008","90","","100.794","0.002","90","","1740.28","0.16","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O S2 -","- C20 H20 O S2 -","- C80 H80 O4 S8 -","4","1","","Zhang, Shan-Shan; Xue, Jiahui; Gu, Qing; Jiang, Xuefeng; You, Shu-Li","Dearomatization reaction of β-naphthols with disulfurating reagents.","Organic & biomolecular chemistry","2021","19","40","8761","8771","10.1039/d1ob01731d","","","1.34139","GaKα","","0.042","0.0407","","","0.1097","0.1107","","","","","","1.053","","","","has coordinates","270512","2021-11-06","20:43:17",""
"7158306","9.8601","0.0003","11.9035","0.0003","15.2689","0.0004","90","","101.418","0.001","90","","1756.64","0.08","173","2","173.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O S2 -","- C20 H19 N O S2 -","- C80 H76 N4 O4 S8 -","4","1","","Zhang, Shan-Shan; Xue, Jiahui; Gu, Qing; Jiang, Xuefeng; You, Shu-Li","Dearomatization reaction of β-naphthols with disulfurating reagents.","Organic & biomolecular chemistry","2021","19","40","8761","8771","10.1039/d1ob01731d","","","1.34139","GaKα","","0.0356","0.0343","","","0.0925","0.0937","","","","","","1.095","","","","has coordinates","270512","2021-11-06","20:43:18",""
"7158307","8.4201","0.0012","11.3961","0.0014","33.642","0.003","90","","95.484","0.01","90","","3213.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","0.71073","MoKα","","0.2175","0.0829","","","0.12","0.1726","","","","","","0.8","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158308","10.3934","0.0001","18.0084","0.0003","17.5835","0.0003","90","","97.424","0.001","90","","3263.49","0.08","179.98","0.1","179.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.0559","0.0475","","","0.1306","0.1393","","","","","","1.058","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158309","23.2429","0.0006","9.7717","0.0002","28.6043","0.0007","90","","94.72","0.002","90","","6474.7","0.3","293","2","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","221","","- C36 H31 Cl N2 O5 S2 -","- C36 H31 Cl N2 O5 S2 -","- C288 H248 Cl8 N16 O40 S16 -","8","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.075","0.0538","","","0.136","0.1648","","","","","","1.085","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158310","9.0939","0.0016","30.322","0.004","11.9757","0.0013","90","","92.92","0.013","90","","3298","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","0.71073","MoKα","","0.1548","0.0652","","","0.1238","0.1634","","","","","","0.983","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158311","10.8359","0.0002","11.1243","0.0003","17.4373","0.0004","86.651","0.002","78.773","0.002","67.019","0.002","1897.71","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Cl N2 O7 S2 -","- C36 H29 Cl N2 O7 S2 -","- C72 H58 Cl2 N4 O14 S4 -","2","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.0851","0.0796","","","0.2302","0.2366","","","","","","1.048","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158312","28.3232","0.0011","11.8905","0.0003","26.1613","0.001","90","","114.144","0.004","90","","8039.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 Cl N2 O7 S2 -","- C36 H29 Cl N2 O7 S2 -","- C288 H232 Cl8 N16 O56 S16 -","8","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.0861","0.0623","","","0.1783","0.1957","","","","","","1.108","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158313","21.0158","0.0008","10.2669","0.0003","18.2254","0.0006","90","","108.556","0.004","90","","3728","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.083","0.0609","","","0.1652","0.1793","","","","","","1.045","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158314","18.8089","0.0013","17.8043","0.0012","21.9597","0.0015","90","","90","","90","","7353.8","0.9","220","","220","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C43 H34 N4 O -","- C43 H32 N4 O -","- C344 H256 N32 O8 -","8","1","","Nawaz, Shah; Huang, Yue; Bao, Xiaoze; Wei, Shiqiang; Wei, Xingfu; Qu, Jingping; Wang, Baomin","Construction of a spiro[pyrazolone-4,2'-pyridoindole] scaffold <i>via</i> a [3 + 3] cycloaddition of 2-indolylmethanol with a 4-aminopyrazolone-derived azomethine ylide.","Organic & biomolecular chemistry","2021","19","39","8530","8538","10.1039/d1ob01631h","","","0.71073","MoKα","","0.0889","0.0547","","","0.1451","0.1645","","","","","","1.069","","","","has coordinates","270503","2021-11-06","20:41:55",""
"7158315","13.9191","0.0004","12.836","0.0004","20.3504","0.0006","90","","106.316","0.001","90","","3489.49","0.18","193","2","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(S)-6-(2-benzhydryl-5-chloro-1H-indol-3-yl)-2-chloro-6-phenyl-5,6-dihydroindeno[2,1-b]indole","","- C43 H30 Cl4 N2 -","- C43 H30 Cl4 N2 -","- C172 H120 Cl16 N8 -","4","1","","Tang, Zhicong; Hong, Gang; Hu, Chen; Wang, Qi; Zhong, Yi; Gong, Yu; Yang, Peng; Wang, Limin","La(OTf)<sub>3</sub> facilitated self-condensation of 2-indolylmethanol: construction of highly substituted indeno[1,2-<i>b</i>]indoles.","Organic & biomolecular chemistry","2021","19","47","10337","10342","10.1039/d1ob01517f","","","1.34139","GaKα","","0.0574","0.0497","","","0.1263","0.1325","","","","","","1.035","","","","has coordinates","271870","2022-01-06","21:57:35",""
"7158316","12.1173","0.0008","13.979","0.0009","17.7969","0.0007","78.96","0.004","80.192","0.005","68.596","0.006","2738","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-(2-(bis(4-(trifluoromethyl)phenyl)methyl)-1H-indol-3-yl)-9-(trifluoromethyl)-6-(4-(trifluoromethyl)phenyl)-5,6-dihydroindeno[2,1-b]indole","","- C46 H26 F12 N2 -","- C92 H52 F24 N4 -","- C92 H52 F24 N4 -","1","0.5","","Tang, Zhicong; Hong, Gang; Hu, Chen; Wang, Qi; Zhong, Yi; Gong, Yu; Yang, Peng; Wang, Limin","La(OTf)<sub>3</sub> facilitated self-condensation of 2-indolylmethanol: construction of highly substituted indeno[1,2-<i>b</i>]indoles.","Organic & biomolecular chemistry","2021","19","47","10337","10342","10.1039/d1ob01517f","","","1.54184","CuKα","","0.1291","0.0993","","","0.3321","0.3679","","","","","","1.289","","","","has coordinates,has disorder","271870","2022-01-06","21:57:35",""
"7158317","15.2822","0.0005","20.3116","0.0005","16.7995","0.0006","90","","117.084","0.005","90","","4642.8","0.3","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 Ca Cl3 I2 N8 O12 -","- C31 H53 Ca Cl3 I2 N8 O12 -","- C124 H212 Ca4 Cl12 I8 N32 O48 -","4","1","","Zhu, Jun; Wang, Xu-Dong; Luo, Jian; Ao, Yu-Fei; Wang, Qi-Qiang; Wang, De-Xian","Cation-chloride cotransport mediated by an ion pair transporter.","Organic & biomolecular chemistry","2021","19","39","8586","8590","10.1039/d1ob01617b","","","0.71073","MoKα","","0.0383","0.0338","","","0.0808","0.0828","","","","","","1.058","","","","has coordinates","270500","2021-11-06","20:41:31",""
"7158318","18.868","0.005","12.831","0.004","7.106","0.003","90","","93.222","0.013","90","","1717.6","1","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Br F3 N O3 S -","- C17 H11 Br F3 N O3 S -","- C68 H44 Br4 F12 N4 O12 S4 -","4","1","","Su, Shixuan; Yan, Zhipeng; Ye, Xingyuan; Wang, Jingyang; Li, Yuan; He, Guangke","PhI(OAc)2-mediated trifluoromethylthiolation/oxidative cyclization of ynamides","Organic & Biomolecular Chemistry","2021","19","40","8746","8753","10.1039/D1OB01642C","","","0.71073","MoKα","","0.0885","0.0668","","","0.2057","0.2603","","","","","","1.062","","","","has coordinates","270510","2021-11-06","20:43:04",""
"7158319","5.516","0.001","19.977","0.003","30.8","0.01","90","","90","","90","","3393.9","1.4","295","2","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 N4 O3 -","- C41 H42 N4 O3 -","- C164 H168 N16 O12 -","4","1","","Kozhemyakin, Grigory L.; Tyurin, Vladimir S.; Shkirdova, Alena O.; Belyaev, Evgeny S.; Kirinova, Ekaterina S.; Ponomarev, Gelii V.; Chistov, Alexey A.; Aralov, Andrey V.; Tafeenko, Victor A.; Zamilatskov, Ilya A.","Carbene functionalization of porphyrinoids through tosylhydrazones.","Organic & biomolecular chemistry","2021","19","42","9199","9210","10.1039/d1ob01626a","","","1.54186","CuKα","","0.3021","0.1405","","","0.3317","0.4249","","","","","","0.877","","","","has coordinates","270499","2021-11-06","20:41:24",""
"7158320","11.7785","0.0007","17.1967","0.0009","11.2241","0.0006","90","","115.786","0.008","90","","2047.1","0.2","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N O2 P -","- C24 H24 N O2 P -","- C96 H96 N4 O8 P4 -","4","1","","Popovics-Tóth, Nóra; Rávai, Bettina; Tajti, Ádám; Varga, Bence; Bagi, Péter; Perdih, Franc; Szabó, Pál Tamás; Hackler, Jr, László; Puskás, László G; Bálint, Erika","Three-component synthesis, utilization and biological activity of phosphinoyl-functionalized isoindolinones.","Organic & biomolecular chemistry","2021","19","40","8754","8760","10.1039/d1ob01610e","","","0.71073","MoKα","","0.0597","0.0429","","","0.1008","0.1157","","","","","","1.059","","","","has coordinates","270511","2021-11-06","20:43:11",""
"7158321","11.3292","0.0004","10.3205","0.0003","18.9713","0.0008","90","","106.63","0.004","90","","2125.4","0.14","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cl2 N2 O2 P2 Pt -","- C48 H48 Cl2 N2 O2 P2 Pt -","- C96 H96 Cl4 N4 O4 P4 Pt2 -","2","0.5","","Popovics-Tóth, Nóra; Rávai, Bettina; Tajti, Ádám; Varga, Bence; Bagi, Péter; Perdih, Franc; Szabó, Pál Tamás; Hackler, Jr, László; Puskás, László G; Bálint, Erika","Three-component synthesis, utilization and biological activity of phosphinoyl-functionalized isoindolinones.","Organic & biomolecular chemistry","2021","19","40","8754","8760","10.1039/d1ob01610e","","","0.71073","MoKα","","0.0361","0.026","","","0.0559","0.0614","","","","","","1.062","","","","has coordinates","270511","2021-11-06","20:43:11",""
"7158322","10.9106","0.0016","11.628","0.002","11.7739","0.0019","97.036","0.014","110.448","0.014","105.848","0.014","1306.5","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N O5 S -","- C29 H27 N O5 S -","- C58 H54 N2 O10 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","0.71073","MoKα","","0.1293","0.0691","","","0.1701","0.2161","","","","","","1.023","","","","has coordinates,has disorder","270498","2021-11-06","20:41:07",""
"7158323","8.3217","0.0011","10.3997","0.0014","15.418","0.002","84.83","0.002","78.631","0.002","85.649","0.002","1300.5","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","ss","","- C28 H25 N O5 S2 -","- C28 H25 N O5 S2 -","- C56 H50 N2 O10 S4 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","0.71073","MoKα","","0.0742","0.0615","","","0.1495","0.1605","","","","","","1.044","","","","has coordinates","270498","2021-11-06","20:41:08",""
"7158324","11.0425","0.0001","16.3615","0.0001","14.8646","0.0001","90","","102.389","0.001","90","","2623.08","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 N O5 S -","- C29 H29 N O5 S -","- C116 H116 N4 O20 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","1.54184","CuKα","","0.0393","0.0354","","","0.1036","0.1069","","","","","","1.077","","","","has coordinates","270498","2021-11-06","20:41:08",""
"7158325","8.1947","0.0001","13.0078","0.0002","13.8955","0.0002","112.119","0.002","96.231","0.001","100.047","0.001","1326.27","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N O7 S -","- C29 H27 N O7 S -","- C58 H54 N2 O14 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","1.54184","CuKα","","0.0448","0.041","","","0.114","0.1183","","","","","","1.06","","","","has coordinates","270498","2021-11-06","20:41:08",""
"7158326","11.7154","0.0001","12.1997","0.0001","18.576","0.0002","81.916","0.001","82.255","0.001","78.778","0.001","2562.51","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H58 N2 O10 S2 -","- C58 H58 N2 O10 S2 -","- C116 H116 N4 O20 S4 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","","1.54184","CuKα","","0.0447","0.0397","","","0.1099","0.1133","","","","","","1.071","","","","has coordinates,has disorder","270498","2021-11-06","20:41:08",""
"7158327","12.8894","0.0007","13.1148","0.0007","14.7203","0.0008","90","","90","","90","","2488.3","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32.65 Cl Ir N O1.32 P -","- C27 H32.64 Cl Ir N O1.32 P -","- C108 H130.56 Cl4 Ir4 N4 O5.28 P4 -","4","1","","Dai, Zengjin; Pan, Ying-Min; Wang, Shou-Guo; Zhang, Xumu; Yin, Qin","Direct reductive amination of ketones with ammonium salt catalysed by Cp*Ir(III) complexes bearing an amidato ligand.","Organic & biomolecular chemistry","2021","19","41","8934","8939","10.1039/d1ob01710a","","x-ray","1.54178","CuKα","","0.0262","0.0261","","","0.0682","0.0682","","","","","","1.092","","","","has coordinates","270496","2021-11-06","20:40:51",""
"7158328","6.5607","0.0001","7.5167","0.0002","28.7149","0.0006","90","","95.426","0.001","90","","1409.72","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Marras, Valentina; Caboni, Pierluigi; Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo","A Brønsted acid catalyzed tandem reaction for the diastereoselective synthesis of cyclobuta-fused tetrahydroquinoline carboxylic esters.","Organic & biomolecular chemistry","2021","19","41","8912","8916","10.1039/d1ob01518d","","x-ray","1.54178","CuKα","","0.0525","0.0457","","","0.0992","0.1019","","","","","","1.118","","","","has coordinates","270497","2021-11-06","20:40:58",""
"7158329","11.1401","0.0003","28.7617","0.0007","11.7457","0.0003","90","","90.521","0.001","90","","3763.26","0.17","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C176 H208 N16 O16 -","8","4","","Marras, Valentina; Caboni, Pierluigi; Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo","A Brønsted acid catalyzed tandem reaction for the diastereoselective synthesis of cyclobuta-fused tetrahydroquinoline carboxylic esters.","Organic & biomolecular chemistry","2021","19","41","8912","8916","10.1039/d1ob01518d","","x-ray","1.54178","CuKα","","0.0343","0.0324","","","0.0805","0.0817","","","","","","1.025","","","","has coordinates,has disorder","270497","2021-11-06","20:40:58",""
"7158330","9.087","0.001","10.0635","0.0013","13.3909","0.0017","80.956","0.004","81.422","0.004","65.23","0.004","1093.3","0.2","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C23 H22 Br N3 O S -","- C23 H22 Br N3 O S -","- C46 H44 Br2 N6 O2 S2 -","2","1","","Paysant, Hippolyte; Hedir, Siham; Justaud, Frédéric; Weiswald, Louis Bastien; El Dine, Assaad Nasr; Soulieman, Ali; Hachem, Ali; Elie, Nicolas; Brotin, Emilie; Denoyelle, Christophe; Bignon, Jérôme; Roussi, Fanny; Jouanne, Marie; Tasseau, Olivier; Roisnel, Thierry; Voisin-Chiret, Anne Sophie; Grée, René; Levoin, Nicolas; Poulain, Laurent","Structural revision of the Mcl-1 inhibitor MIM1: synthesis and biological studies on ovarian cancer cells with evaluation of designed analogues.","Organic & biomolecular chemistry","2021","19","41","8968","8987","10.1039/d1ob01521d","","x-ray","0.71073","MoKα","","0.0333","0.0264","","","0.0557","0.0595","","","","","","0.999","","","","has coordinates","270492","2021-11-06","20:40:22",""
"7158331","24.627","0.003","40.014","0.004","9.3291","0.0011","90","","90","","90","","9193.1","1.8","150","","150","","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C23 H20 Br N3 O S -","- C23 H20 Br N3 O S -","- C368 H320 Br16 N48 O16 S16 -","16","1","","Paysant, Hippolyte; Hedir, Siham; Justaud, Frédéric; Weiswald, Louis Bastien; El Dine, Assaad Nasr; Soulieman, Ali; Hachem, Ali; Elie, Nicolas; Brotin, Emilie; Denoyelle, Christophe; Bignon, Jérôme; Roussi, Fanny; Jouanne, Marie; Tasseau, Olivier; Roisnel, Thierry; Voisin-Chiret, Anne Sophie; Grée, René; Levoin, Nicolas; Poulain, Laurent","Structural revision of the Mcl-1 inhibitor MIM1: synthesis and biological studies on ovarian cancer cells with evaluation of designed analogues.","Organic & biomolecular chemistry","2021","19","41","8968","8987","10.1039/d1ob01521d","","x-ray","0.71073","MoKα","","0.0298","0.0276","","","0.0655","0.0664","","","","","","1.061","","","","has coordinates","270492","2021-11-06","20:40:23",""
"7158332","7.8822","0.0017","31.959","0.006","9.896","0.002","90","","121.156","0.007","90","","2133.3","0.8","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cl N3 O3 S -","- C20 H28 Cl N3 O3 S -","- C80 H112 Cl4 N12 O12 S4 -","4","1","","Paysant, Hippolyte; Hedir, Siham; Justaud, Frédéric; Weiswald, Louis Bastien; El Dine, Assaad Nasr; Soulieman, Ali; Hachem, Ali; Elie, Nicolas; Brotin, Emilie; Denoyelle, Christophe; Bignon, Jérôme; Roussi, Fanny; Jouanne, Marie; Tasseau, Olivier; Roisnel, Thierry; Voisin-Chiret, Anne Sophie; Grée, René; Levoin, Nicolas; Poulain, Laurent","Structural revision of the Mcl-1 inhibitor MIM1: synthesis and biological studies on ovarian cancer cells with evaluation of designed analogues.","Organic & biomolecular chemistry","2021","19","41","8968","8987","10.1039/d1ob01521d","","x-ray","0.71073","MoKα","","0.0496","0.0407","","","0.0929","0.0972","","","","","","1.072","","","","has coordinates","270492","2021-11-06","20:40:23",""
"7158333","8.3093","0.0004","7.7536","0.0003","21.1019","0.0009","90","","94.235","0.002","90","","1355.82","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 S -","- C15 H14 N4 S -","- C60 H56 N16 S4 -","4","1","","Kutasevich, Anton V.; Niktarov, Anton S.; Uvarova, Ekaterina S.; Karnoukhova, Valentina A.; Mityanov, Vitaly S.","A novel approach to bis(1,3-azol-2-yl)acetonitriles and bis(1,3-azol-2-yl)methanes <i>via</i> the [3 + 2]-dipolar cycloaddition of imidazole <i>N</i>-oxides and 2-heteroaryl-3,3-dimethylacrylonitriles.","Organic & biomolecular chemistry","2021","19","41","8988","8998","10.1039/d1ob01441b","","","0.71073","MoKα","","0.0402","0.0341","","","0.0976","0.1001","","","","","","1.03","","","","has coordinates","270494","2021-11-06","20:40:39",""
"7158334","12.1703","0.0004","8.7069","0.0003","17.7917","0.0006","90","","104.923","0.002","90","","1821.72","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O S -","- C21 H18 N4 O S -","- C84 H72 N16 O4 S4 -","4","1","","Kutasevich, Anton V.; Niktarov, Anton S.; Uvarova, Ekaterina S.; Karnoukhova, Valentina A.; Mityanov, Vitaly S.","A novel approach to bis(1,3-azol-2-yl)acetonitriles and bis(1,3-azol-2-yl)methanes <i>via</i> the [3 + 2]-dipolar cycloaddition of imidazole <i>N</i>-oxides and 2-heteroaryl-3,3-dimethylacrylonitriles.","Organic & biomolecular chemistry","2021","19","41","8988","8998","10.1039/d1ob01441b","","","0.71073","MoKα","","0.0558","0.0386","","","0.1009","0.1076","","","","","","1.038","","","","has coordinates","270494","2021-11-06","20:40:40",""
"7158335","11.705","0.004","15.007","0.005","7.459","0.002","90","","105.239","0.003","90","","1264.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 I O4 S -","- C11 H9 I O4 S -","- C44 H36 I4 O16 S4 -","4","1","","Lu, Ling-Hui; Ou, Guangchuan; Zhao, Xiongjie; Wang, Yufei; Chen, Xuelian; Liao, Wenjun; Li, Shundan; Wu, Chao","Selective difunctionalization of electron-deficient alkynes: access to (<i>E</i>)-2-iodo-3-(methylthio)acrylate.","Organic & biomolecular chemistry","2021","19","37","8128","8132","10.1039/d1ob01287h","","","0.71073","MoKα","","0.0342","0.0289","","","0.0804","0.0838","","","","","","1.057","","","","has coordinates","269593","2021-10-05","21:04:46",""
"7158336","8.9489","0.0003","10.214","0.0002","29.3155","0.0006","90","","90","","90","","2679.56","0.12","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Br2 N2 O4 S -","- C27 H26 Br2 N2 O4 S -","- C108 H104 Br8 N8 O16 S4 -","4","1","","Yang, Xiao-Peng; Lv, Hao-Peng; Yang, Hao-Di; Wang, Bai-Lin; Wang, Xing-Wang","Box-copper catalyzed cascade asymmetric amidation for chiral <i>exo</i>-methylene aminoindoline derivatives.","Organic & biomolecular chemistry","2021","19","43","9373","9378","10.1039/d1ob01242h","","","1.54184","CuKα","","0.0638","0.0614","","","0.1504","0.154","","","","","","1.125","","","","has coordinates","271215","2021-12-07","03:51:56",""
"7158337","8.1174","0.0006","18.2984","0.0012","12.9072","0.0008","90","","101.79","0.007","90","","1876.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl3 N6 O2 -","- C16 H17 Cl3 N6 O2 -","- C64 H68 Cl12 N24 O8 -","4","1","","Eltyshev, Alexander K.; Agafonova, Irina A.; Minin, Artem S.; Pozdina, Varvara A.; Shevirin, Vadim A.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Photophysics, photochemistry and bioimaging application of 8-azapurine derivatives.","Organic & biomolecular chemistry","2021","19","45","9880","9896","10.1039/d1ob01801a","","x-ray","0.71073","MoKα","","0.0959","0.0591","","","0.1612","0.2073","","","","","","1.048","","","","has coordinates","271232","2021-12-07","03:56:13",""
"7158338","7.9266","0.0005","8.4539","0.0006","15.2045","0.0009","86.573","0.005","89.013","0.005","65.02","0.007","921.87","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cl3 N6 O2 -","- C16 H15 Cl3 N6 O2 -","- C32 H30 Cl6 N12 O4 -","2","1","","Eltyshev, Alexander K.; Agafonova, Irina A.; Minin, Artem S.; Pozdina, Varvara A.; Shevirin, Vadim A.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Photophysics, photochemistry and bioimaging application of 8-azapurine derivatives.","Organic & biomolecular chemistry","2021","19","45","9880","9896","10.1039/d1ob01801a","","x-ray","0.71073","MoKα","","0.1174","0.0703","","","0.1984","0.2439","","","","","","1.034","","","","has coordinates,has disorder","271232","2021-12-07","03:56:13",""
"7158339","7.4594","0.0004","11.112","0.0005","12.7546","0.0006","72.929","0.001","85.141","0.001","80.711","0.001","996.6","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H19 N O -","- C30 H19 N O -","- C60 H38 N2 O2 -","2","1","","Rao, Maddali L. N.; Islam, Sk Shamim","Copper-catalyzed synthesis of 1-(2-benzofuryl)-N-heteroarenes from <i>o</i>-hydroxy-<i>gem</i>-(dibromovinyl)benzenes and N-heteroarenes.","Organic & biomolecular chemistry","2021","19","41","9076","9080","10.1039/d1ob01765a","","","0.71073","MoKα","","0.055","0.043","","","0.103","0.1087","","","","","","1.065","","","","has coordinates","270495","2021-11-06","20:40:45",""
"7158340","18.8139","0.0012","13.3867","0.0006","15.4997","0.0009","90","","100.572","0.003","90","","3837.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 F3 N3 O7 -","- C21 H14 F3 N3 O7 -","- C168 H112 F24 N24 O56 -","8","1","","Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.","Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.","Organic & biomolecular chemistry","2021","19","43","9421","9426","10.1039/d1ob01711j","","","0.71073","MoKα","","0.094","0.0537","","","0.1057","0.1195","","","","","","1.05","","","","has coordinates","271217","2021-12-07","03:52:21",""
"7158341","15.718","0.002","13.4294","0.0019","24.95","0.003","90","","90","","90","","5266.5","1.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H21 F3 N2 O5 -","- C27 H21 F3 N2 O5 -","- C216 H168 F24 N16 O40 -","8","1","","Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.","Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.","Organic & biomolecular chemistry","2021","19","43","9421","9426","10.1039/d1ob01711j","","","0.71073","MoKα","","0.1609","0.087","","","0.2044","0.2534","","","","","","1.008","","","","has coordinates","271217","2021-12-07","03:52:22",""
"7158342","10.8152","0.0008","16.2213","0.0011","32.017","0.002","90","","93.774","0.002","90","","5604.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H49 Cl4 F6 N4 O10 -","- C58 H49 Cl4 F6 N4 O10 -","- C232 H196 Cl16 F24 N16 O40 -","4","1","","Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.","Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.","Organic & biomolecular chemistry","2021","19","43","9421","9426","10.1039/d1ob01711j","","","0.71073","MoKα","","0.1291","0.076","","","0.1813","0.2095","","","","","","1.004","","","","has coordinates","271217","2021-12-07","03:52:22",""
"7158343","9.1811","0.0002","9.9659","0.0002","14.9148","0.0004","85.493","0.002","80.059","0.002","63.776","0.003","1205.83","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 O3 -","- C30 H28 N2 O3 -","- C60 H56 N4 O6 -","2","1","","Liu, Chao; Zhao, Ruiqi; Song, Liangliang; Li, Zhenghua; Tian, Guilong; He, Yi; Van Meervelt, Luc; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Palladium-catalyzed post-Ugi arylative dearomatization/Michael addition cascade towards plicamine analogues.","Organic & biomolecular chemistry","2021","19","44","9752","9757","10.1039/d1ob01805a","","x-ray","0.71073","MoKα","","0.0583","0.047","","","0.1133","0.1204","","","","","","1.075","","","","has coordinates","271206","2021-12-07","03:49:52",""
"7158344","13.4998","0.0006","21.9675","0.0008","7.6004","0.0003","90","","101.456","0.005","90","","2209.05","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br2 N6 -","- C24 H20 Br2 N6 -","- C96 H80 Br8 N24 -","4","1","","Gupta, Shiv Shankar; Manisha, ?; Kumar, Rakesh; Dhiman, Ankit Kumar; Sharma, Upendra","Predictable site-selective functionalization: Promoter group assisted <i>para</i>-halogenation of <i>N</i>-substituted <b>(</b>hetero<b>)</b>aromatics under metal-free condition.","Organic & biomolecular chemistry","2021","19","44","9675","9687","10.1039/d1ob02000e","","x-ray","1.54184","CuKα","","0.0522","0.0399","","","0.098","0.1121","","","","","","1.042","","","","has coordinates","271211","2021-12-07","03:50:56",""
"7158345","15.2432","0.0013","6.8557","0.0004","19.6543","0.0015","90","","99.415","0.007","90","","2026.3","0.3","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O -","- C23 H26 N4 O -","- C92 H104 N16 O4 -","4","1","","Soam, Pooja; Gaba, Hashmita; Mandal, Debasish; Tyagi, Vikas","A Pd-catalyzed one-pot cascade consisting of C-C/C-O/N-N bond formation to access benzoxazine fused 1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","45","9936","9945","10.1039/d1ob01539g","","x-ray","0.71073","MoKα","","0.0831","0.0559","","","0.1361","0.161","","","","","","1.08","","","","has coordinates","271228","2021-12-07","03:55:36",""
"7158346","19.2668","0.0006","10.713","0.0004","7.8156","0.0002","90","","90","","90","","1613.18","0.09","295.7","0.4","295.7","0.4","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Jia, Ruo-Ling; Liu, Qing-Ling; Yang, Long-Wei; Deng, Shi; Song, Yang","[6 + 3] Annulations of Morita-Baylis-Hillman carbonates and dicyanoheptafulvene.","Organic & biomolecular chemistry","2021","19","45","9867","9871","10.1039/d1ob00854d","","x-ray","1.54184","CuKα","","0.0607","0.0573","","","0.1416","0.1466","","","","","","1.084","","","","has coordinates","271225","2021-12-07","03:54:28",""
"7158347","11.631","0.002","14.557","0.003","15.796","0.003","90","","90","","90","","2674.5","0.9","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","1","","Xu, Zhaoliang; Hu, Yu; Wang, Lei; Sun, Mingli; Li, Pinhua","Merging cobalt and photoredox catalysis for the C8-H alkoxylation of 1-naphthylamine derivatives with alcohols.","Organic & biomolecular chemistry","2021","19","46","10112","10119","10.1039/d1ob01721g","","","0.71073","MoKα","","0.1003","0.0436","","","0.0937","0.1143","","","","","","1.001","","","","has coordinates","271220","2021-12-07","03:53:17",""
"7158348","10.646","0.002","11.634","0.003","12.087","0.003","101.823","0.013","109.747","0.01","91.715","0.013","1371.1","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","benzyl (E)-2-((4-(benzyloxy)-4-oxobut-2-en-2-yl)oxy)-7-ethoxy-5H-chromeno[3,4-b]pyridine-3-carboxylate","","- C33 H29 N O7 -","- C33 H29 N O7 -","- C66 H58 N2 O14 -","2","1","","Soares, Maria I. L.; Gomes, Clara S. B.; Oliveira, M Conceição; Marçalo, Joaquim; Pinho E Melo, Teresa M V D","Synthesis of 5<i>H</i>-chromeno[3,4-<i>b</i>]pyridines <i>via</i> DABCO-catalyzed [3 + 3] annulation of 3-nitro-2<i>H</i>-chromenes and allenoates.","Organic & biomolecular chemistry","2021","19","44","9711","9722","10.1039/d1ob01130h","","x-ray","0.71073","MoKα","","0.125","0.0422","","","0.0985","0.11","","","","","","1.028","","","","has coordinates","271212","2021-12-07","03:51:07",""
"7158349","8.708","0.002","13.624","0.004","17.004","0.005","66.753","0.006","79.781","0.007","88.762","0.007","1821.5","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Benzyl 2-hydroxy-8,10-dimethoxy-5H-chromeno[3,4-b]pyridine-3-carboxylate","","- C22 H19 N O6 -","- C22 H19 N O6 -","- C88 H76 N4 O24 -","4","2","","Soares, Maria I. L.; Gomes, Clara S. B.; Oliveira, M Conceição; Marçalo, Joaquim; Pinho E Melo, Teresa M V D","Synthesis of 5<i>H</i>-chromeno[3,4-<i>b</i>]pyridines <i>via</i> DABCO-catalyzed [3 + 3] annulation of 3-nitro-2<i>H</i>-chromenes and allenoates.","Organic & biomolecular chemistry","2021","19","44","9711","9722","10.1039/d1ob01130h","","x-ray","0.71073","MoKα","","0.1917","0.0946","","","0.1675","0.1941","","","","","","1.025","","","","has coordinates","271212","2021-12-07","03:51:10",""
"7158350","8.3925","0.0006","11.705","0.0009","23.1584","0.0019","90","","90","","90","","2274.9","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5aa","","- C11 H9 F3 N2 O S -","- C11 H9 F3 N2 O S -","- C88 H72 F24 N16 O8 S8 -","8","1","","Thomas Passia, Marco; Schöbel, Jan-Hendrik; Julian Lentelink, Niklas; Truong, Khai-Nghi; Rissanen, Kari; Bolm, Carsten","Synthesis of trifluoromethyl-substituted 1,2,6-thiadiazine 1-oxides from sulfonimidamides under mechanochemical conditions.","Organic & biomolecular chemistry","2021","19","43","9470","9475","10.1039/d1ob01912k","","","0.71073","MoKα","","0.137","0.0724","","","0.0811","0.1043","","","","","","0.997","","","","has coordinates","271216","2021-12-07","03:52:10",""
"7158351","7.6104","0.0012","7.8056","0.0014","12.0015","0.0019","90.867","0.002","102.061","0.002","115.696","0.003","623.71","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","8","","- C11 H8 Br F3 N2 O S -","- C11 H8 Br F3 N2 O S -","- C22 H16 Br2 F6 N4 O2 S2 -","2","1","","Thomas Passia, Marco; Schöbel, Jan-Hendrik; Julian Lentelink, Niklas; Truong, Khai-Nghi; Rissanen, Kari; Bolm, Carsten","Synthesis of trifluoromethyl-substituted 1,2,6-thiadiazine 1-oxides from sulfonimidamides under mechanochemical conditions.","Organic & biomolecular chemistry","2021","19","43","9470","9475","10.1039/d1ob01912k","","","0.71073","MoKα","","0.0693","0.0527","","","0.1167","0.1262","","","","","","1.071","","","","has coordinates","271216","2021-12-07","03:52:10",""
"7158352","13.6962","0.0003","13.6338","0.0002","9.271","0.0002","90","","104.983","0.003","90","","1672.33","0.06","150","0.18","150","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","1","","McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.","Delivering anion transporters to lipid bilayers in water.","Organic & biomolecular chemistry","2021","19","44","9624","9628","10.1039/d1ob02041b","","x-ray","0.71073","MoKα","","0.0675","0.056","","","0.1415","0.1521","","","","","","1.042","","","","has coordinates","271210","2021-12-07","03:50:27",""
"7158353","8.1181","0.0002","13.6649","0.0004","17.6062","0.0006","108.557","0.003","100.746","0.002","95.887","0.002","1791.4","0.1","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H59 Cl N4 O3 -","- C34 H59 Cl N4 O3 -","- C68 H118 Cl2 N8 O6 -","2","1","","McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.","Delivering anion transporters to lipid bilayers in water.","Organic & biomolecular chemistry","2021","19","44","9624","9628","10.1039/d1ob02041b","","x-ray","0.71073","MoKα","","0.0562","0.0422","","","0.105","0.1145","","","","","","1.034","","","","has coordinates","271210","2021-12-07","03:50:39",""
"7158354","42.9415","0.0011","6.2417","0.0002","13.2277","0.0003","90","","94.68","0.002","90","","3533.57","0.17","150","0.2","150","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C168 H184 N24 O32 -","8","1","","McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.","Delivering anion transporters to lipid bilayers in water.","Organic & biomolecular chemistry","2021","19","44","9624","9628","10.1039/d1ob02041b","","x-ray","0.71073","MoKα","","0.0471","0.0397","","","0.0943","0.099","","","","","","1.029","","","","has coordinates","271210","2021-12-07","03:50:41",""
"7158355","13.5595","0.0002","7.5471","0.0001","18.0224","0.0003","90","","106","0.002","90","","1772.87","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.042","0.0362","","","0.0869","0.0911","","","","","","1.0359","","","","has coordinates","271205","2021-12-07","03:49:42",""
"7158356","13.0854","0.0003","7.50448","0.00014","22.3639","0.0005","90","","92.532","0.002","90","","2193.97","0.08","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Cl2 N O6 -","- C22 H25 Cl2 N O6 -","- C88 H100 Cl8 N4 O24 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.033","0.0303","","","0.0787","0.0805","","","","","","1.044","","","","has coordinates","271205","2021-12-07","03:49:43",""
"7158357","8.3206","0.0001","10.3874","0.0001","20.7185","0.0001","90","","90","","90","","1790.69","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0928","0.0932","","","","","","1.028","","","","has coordinates","271205","2021-12-07","03:49:43",""
"7158358","8.9201","0.0003","27.3837","0.0009","9.5899","0.0003","90","","109.369","0.004","90","","2209.9","0.14","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Cl2 N O6 -","- C22 H25 Cl2 N O6 -","- C88 H100 Cl8 N4 O24 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.0341","0.0314","","","0.0827","0.0845","","","","","","1.064","","","","has coordinates","271205","2021-12-07","03:49:43",""
"7158359","10.2285","0.0003","10.2285","0.0003","31.7311","0.001","90","","90","","90","","3319.78","0.17","101","2","101","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C40 H50 O13 -","- C40 H44 O13 -","- C160 H176 O52 -","4","0.5","","Liu, Shuai; Zhang, Cui-Shan; Ran, Xiao-Qian; Tang, Xiao-Han; Guo, Ya-Rong; Yan, Ying; Yao, Yong-Gang; Hao, Xiao-Jiang; Luo, Rong-Can; Di, Ying-Tong","Perforalactones D and E, two new C-20 quassinoids with potential activity to induce lysosomal biogenesis from the twigs of <i>Harrisonia perforata</i> (Blanco) Merr.","Organic & biomolecular chemistry","2021","19","44","9637","9640","10.1039/d1ob01927a","","","1.54178","CuKα","","0.0575","0.0575","","","0.1702","0.1702","","","","","","1.12","","","","has coordinates","271213","2021-12-07","03:51:16",""
"7158360","10.957","0.0004","29.1941","0.001","8.9667","0.0003","90","","101.076","0.003","90","","2814.84","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br N2 O5 S -","- C31 H23 Br N2 O5 S -","- C124 H92 Br4 N8 O20 S4 -","4","1","","Zheng, Yi; Zhang, Ting-Ting; Shen, Wen-Bo","Gold-catalyzed oxidative cyclization of amide-alkynes: access to functionalized γ-lactams.","Organic & biomolecular chemistry","2021","19","44","9688","9691","10.1039/d1ob01846a","","x-ray","1.54184","CuKα","","0.0727","0.0485","","","0.1186","0.1328","","","","","","1.038","","","","has coordinates","271209","2021-12-07","03:50:16",""
"7158361","10.5525","0.0009","10.5881","0.0009","11.4412","0.0006","102.568","0.006","105.923","0.006","105.637","0.007","1123.59","0.17","293.3","0.1","293.3","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H30 O4 -","- C26 H30 O4 -","- C52 H60 O8 -","2","1","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","","1.54184","CuKα","","0.1039","0.0838","","","0.2422","0.2708","","","","","","1.046","","","","has coordinates","271231","2021-12-07","03:56:06",""
"7158362","20.8005","0.0006","5.76195","0.00016","37.1847","0.0013","90","","98.257","0.003","90","","4410.4","0.2","293.32","0.1","293.32","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C208 H224 O32 -","8","1","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","x-ray","1.54184","CuKα","","0.067","0.0546","","","0.1536","0.1664","","","","","","1.041","","","","has coordinates,has disorder","271231","2021-12-07","03:56:07",""
"7158363","10.6249","0.0004","10.6722","0.0005","11.3614","0.0005","105.317","0.004","102.94","0.004","105.98","0.004","1131.72","0.1","293.6","0.1","293.6","0.1","","","","","","","","3","P 1","P 1","1","","","","- C26 H30 O4 -","- C26 H30 O4 -","- C52 H60 O8 -","2","2","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","x-ray","1.54184","CuKα","","0.0822","0.0713","","","0.2089","0.2322","","","","","","1.068","","","","has coordinates","271231","2021-12-07","03:56:07",""
"7158364","17.4753","0.0017","11.4632","0.0011","26.206","0.002","90","","99.65","0.004","90","","5175.4","0.8","190","2","189.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 Cl N3 O5 -","- C26 H38 Cl N3 O5 -","- C208 H304 Cl8 N24 O40 -","8","1","","Xu, Zan-Xin; Li, Bin; Tian, Ying; Li, Min; Dong, Jun-Xing; Zhang, Guang-Jie","Pentacyclic spermidine alkaloids with radioprotective and anti-inflammatory activities from <i>Orychophragmus violaceus</i>.","Organic & biomolecular chemistry","2021","19","45","9844","9848","10.1039/d1ob01973b","","","1.34139","GaKα","","0.0451","0.036","","","0.0879","0.0951","","","","","","1.029","","","","has coordinates","271229","2021-12-07","03:55:46",""
"7158365","9.8457","0.0007","19.1932","0.0016","17.0462","0.0014","90","","101.212","0.002","90","","3159.7","0.4","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","TPEA","2,6,9,10-tetrakis(phenylethynyl)anthracene","","- C46 H26 -","- C46 H26 -","- C184 H104 -","4","1","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.0911","0.0586","","","0.1501","0.1746","","","","","","1.056","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158366","6.0741","0.0008","11.2759","0.0016","14.146","0.002","99.128","0.005","96.304","0.005","105.017","0.004","912.3","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","TTMSEA","(anthracene-2,6,9,10-tetrayltetrakis(ethyne-2,1-diyl))tetrakis(trimethylsilane)","","- C34 H42 Si4 -","- C34 H42 Si4 -","- C34 H42 Si4 -","1","0.5","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.0662","0.0436","","","0.113","0.1232","","","","","","1.038","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158367","4.6663","0.0005","14","0.0016","14.5094","0.0017","75.898","0.004","83.094","0.004","83.357","0.004","908.96","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","TMPEA","2,6,9,10-tetrakis((2-methoxyphenyl)ethynyl)anthracene","","- C50 H34 O4 -","- C50 H34 O4 -","- C50 H34 O4 -","1","0.5","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.0978","0.047","","","0.1239","0.1609","","","","","","0.762","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158368","9.2771","0.0009","9.6139","0.0008","14.3349","0.0014","71.119","0.003","86.812","0.004","61.782","0.003","1058.66","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","TDMAEA","4,4',4'',4'''-(anthracene-2,6,9,10-tetrayltetrakis(ethyne-2,1-diyl))tetrakis(N,N-dimethylaniline)","","- C54 H46 N4 -","- C54 H46 N4 -","- C54 H46 N4 -","1","0.5","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.1111","0.0562","","","0.1555","0.1939","","","","","","0.869","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158369","11.162","0.003","11.978","0.003","15.916","0.004","90","","90","","90","","2127.9","0.9","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","1,4-di(anthracen-9-yl)buta-1,3-diyne","1,4-di(anthracen-9-yl)buta-1,3-diyne","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.1641","0.0719","","","0.2009","0.2674","","","","","","0.79","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158370","14.929","0.003","11.922","0.003","10.529","0.002","90","","92.393","0.007","90","","1872.4","0.7","296","2","296","2","","","","","","","","2","P 1 c 1","P -2yc","7","TTEA","2,6,9,10-tetrakis(p-tolylethynyl)anthracene","","- C50 H34 -","- C50 H34 -","- C100 H68 -","2","1","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.1812","0.0836","","","0.1984","0.2604","","","","","","1.026","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158371","14.104","0.0006","15.1682","0.0009","24.3684","0.0012","90","","102.661","0.002","90","","5086.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 F3 O2 -","- C22 H13 F3 O2 -","- C264 H156 F36 O24 -","12","3","","Zeng, Piaopiao; Huang, Xiaoxiao; Tang, Wei; Chen, Zhiwei","Copper-catalyzed cascade radical cyclization of alkynoates: construction of aryldifluoromethylated coumarins.","Organic & biomolecular chemistry","2021","19","46","10223","10227","10.1039/d1ob01754c","","","0.71073","MoKα","","0.0856","0.0479","","","0.0954","0.1133","","","","","","1.031","","","","has coordinates","271218","2021-12-07","03:52:52",""
"7158373","6.70863","0.00006","31.0104","0.0003","6.93722","0.00007","90","","110.2","0.001","90","","1354.44","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","- C60 H56 Br4 N4 O16 -","4","1","","Milyutin, Constantine V.; Galimova, Renata D.; Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.; Migulin, Vasily A.; Fakhrutdinov, Artem N.; Minyaev, Mikhail E.","Photoinduced assembly of the 3,4,4a,7a-tetrahydro-1<i>H</i>-cyclopenta[<i>b</i>]pyridine-2,7-dione core on the basis of allomaltol derivatives.","Organic & biomolecular chemistry","2021","19","45","9975","9985","10.1039/d1ob01871j","","x-ray","1.54184","CuKα","","0.0257","0.0247","","","0.0675","0.0681","","","","","","1.101","","","","has coordinates","271227","2021-12-07","03:55:28",""
"7158374","9.2023","0.0003","10.58","0.0003","20.2538","0.0005","90","","101.586","0.0008","90","","1931.74","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N3 O6 -","- C19 H27 N3 O6 -","- C76 H108 N12 O24 -","4","1","","Milyutin, Constantine V.; Galimova, Renata D.; Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.; Migulin, Vasily A.; Fakhrutdinov, Artem N.; Minyaev, Mikhail E.","Photoinduced assembly of the 3,4,4a,7a-tetrahydro-1<i>H</i>-cyclopenta[<i>b</i>]pyridine-2,7-dione core on the basis of allomaltol derivatives.","Organic & biomolecular chemistry","2021","19","45","9975","9985","10.1039/d1ob01871j","","","0.71073","MoKα","","0.0596","0.0466","","","0.1198","0.1298","","","","","","1.056","","","","has coordinates","271227","2021-12-07","03:55:29",""
"7158375","9.7637","0.0019","28.138","0.005","10.943","0.002","90","","104.379","0.003","90","","2912.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-((1R,4R)-4-(4-methoxyphenyl)-1'-methyl-2'-oxo-3-phenylspiro[cyclopentane-1,3'-indolin]-2-en-2-yl)-N,4-dimethylbenzenesulfonamide","","- C34 H32 N2 O4 S -","- C34 H32 N2 O4 S -","- C136 H128 N8 O16 S4 -","4","1","","Zhang, Dongxin; Cheng, Qihang; Chen, Lvjia; Deng, Huiqing; Cai, Hu; Zhang, Qian-Feng","Lewis acid-catalyzed [3 + 2] annulations of oxindole based spirocyclic donor-acceptor cyclopropanes with ynamides.","Organic & biomolecular chemistry","2021","19","44","9645","9648","10.1039/d1ob01922h","","","0.71073","MoKα","","0.0715","0.0457","","","0.1305","0.1534","","","","","","0.9","","","","has coordinates","271214","2021-12-07","03:51:33",""
"7158376","8.7388","0.0001","8.7377","0.0001","15.3935","0.0003","90","","105.809","0.002","90","","1130.94","0.03","100.01","0.1","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,5-di(methylbenzene)-3-(4-nitro-thiophenyl-oxoverdazyl","1,5-di(methylbenzene)-3-(4-nitro-thiophenyl-oxoverdazyl","","- C8 H11 N5 O3 S -","- C8 H11 N5 O3 S -","- C32 H44 N20 O12 S4 -","4","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","","1.54184","CuKα","","0.0439","0.0382","","","0.0905","0.0937","","","","","","1.089","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158377","7.5838","0.0001","9.8117","0.0001","12.8968","0.0001","102.553","0.001","92.841","0.001","111.32","0.001","863.837","0.018","101","1","101","1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O -","- C19 H22 N4 O -","- C38 H44 N8 O2 -","2","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0342","0.0333","","","0.0911","0.0918","","","","","","1.07","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158378","10.9788","0.0001","14.7369","0.0001","22.0879","0.0002","90","","90","","90","","3573.68","0.05","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,5-bis(3-methoxybenzyl)-2,4-dimethyl-carbohydrazide","1,5-bis(3-methoxybenzyl)-2,4-dimethyl-carbohydrazide","","- C19 H22 N4 O3 -","- C19 H22 N4 O3 -","- C152 H176 N32 O24 -","8","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0355","0.0325","","","0.0831","0.085","","","","","","1.06","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158379","7.3232","0.0001","19.6029","0.0002","10.4905","0.0002","90","","107.845","0.002","90","","1433.52","0.04","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,5-bis(thiophenyl)-2,4-dimethyl-carbohydrazide","1,5-bis(thiophenyl)-2,4-dimethyl-carbohydrazide","","- C13 H14 N4 O S2 -","- C13 H14 N4 O S2 -","- C52 H56 N16 O4 S8 -","4","0.5","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0323","0.0317","","","0.1202","0.1228","","","","","","1.137","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158380","8.5045","0.0003","9.797","0.0004","11.9453","0.0005","108.084","0.004","100.023","0.003","101.754","0.003","895.65","0.07","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","1,5-bis(2-methoxybenzyl)-2,4-dimethyl-carbohydrazide","1,5-bis(2-methoxybenzyl)-2,4-dimethyl-carbohydrazide","","- C19 H22 N4 O3 -","- C19 H22 N4 O3 -","- C38 H44 N8 O6 -","2","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0754","0.0668","","","0.1822","0.2014","","","","","","1.07","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158381","19.7981","0.0003","7.6021","0.0001","16.1604","0.0003","90","","124.601","0.002","90","","2002.05","0.07","99.9","0.3","99.9","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,5-dimethyl-3-pyridyl-oxoverdazyl","1,5-dimethyl-3-pyridyl-oxoverdazyl","","- C9 H13 N5 O -","- C9 H13 N5 O -","- C72 H104 N40 O8 -","8","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0401","0.0388","","","0.1038","0.105","","","","","","1.084","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158382","4.931","0.0001","19.1334","0.0006","20.4301","0.0006","90","","90","","90","","1927.51","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H22 N4 O2 S -","- C20 H22 N4 O2 S -","- C80 H88 N16 O8 S4 -","4","0.5","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.1463","0.1355","","","0.2605","0.2648","","","","","","1.279","","","","has coordinates,has disorder","271222","2021-12-07","03:53:41",""
"7158383","18.9089","0.0003","11.613","0.0002","10.5619","0.0002","90","","90.812","0.002","90","","2319.04","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,5-bis(thiophenyl)-2,4-bis(methylbenzyl)-carbohydrazide","1,5-bis(thiophenyl)-2,4-bis(methylbenzyl)-carbohydrazide","","- C25 H22 N4 O S2 -","- C25 H22 N4 O S2 -","- C100 H88 N16 O4 S8 -","4","0.5","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0348","0.033","","","0.0923","0.0939","","","","","","1.063","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158384","11.4529","0.0003","10.4903","0.0003","12.3136","0.0004","90","","98.94","0.002","90","","1461.44","0.07","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N6 O -","- C15 H16 N6 O -","- C60 H64 N24 O4 -","4","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.07","0.0646","","","0.1917","0.2096","","","","","","1.116","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158385","7.7803","0.0002","9.3559","0.0003","14.8204","0.0004","90","","90.009","0.003","90","","1078.8","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl N3 O4 -","- C22 H20 Cl N3 O4 -","- C44 H40 Cl2 N6 O8 -","2","1","","Kaur, Banni Preet; Sharma, Vivek; Sahoo, Subash Chandra; Chimni, Swapandeep Singh","Low catalyst loading enabled organocatalytic synthesis of chiral bis-heterocyclic frameworks containing pyrazole and isoxazole.","Organic & biomolecular chemistry","2021","19","45","9910","9924","10.1039/d1ob01313k","","x-ray","0.71073","MoKα","","0.0806","0.0561","","","0.1366","0.17","","","","","","1.087","","","","has coordinates","271230","2021-12-07","03:55:56",""
"7158386","5.5102","0.0005","9.087","0.0009","25.588","0.003","90","","90","","90","","1281.2","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 F3 N2 O2 -","- C12 H17 F3 N2 O2 -","- C48 H68 F12 N8 O8 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.0772","0.057","","","0.1429","0.1783","","","","","","1.0116","","","","has coordinates","271226","2021-12-07","03:55:10",""
"7158387","5.6852","0.0003","9.4367","0.0004","12.6134","0.0006","77.963","0.004","77.679","0.004","76.073","0.004","632.8","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 F3 N O3 -","- C12 H16 F3 N O3 -","- C24 H32 F6 N2 O6 -","2","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.0884","0.0501","","","0.1116","0.1374","","","","","","1.001","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158388","6.6874","0.0006","17.3402","0.0014","11.9242","0.0011","90","","96.885","0.008","90","","1372.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 F3 N2 O2 -","- C13 H19 F3 N2 O2 -","- C52 H76 F12 N8 O8 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1202","0.0645","","","0.1707","0.2292","","","","","","1.006","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158389","13.671","0.002","5.8015","0.0008","18.074","0.002","90","","93.43","0.014","90","","1430.9","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 F3 N O4 -","- C13 H20 F3 N O4 -","- C52 H80 F12 N4 O16 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","","0.71073","MoKα","","0.1629","0.0703","","","0.1661","0.2356","","","","","","1.002","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158390","5.4368","0.0006","8.606","0.0007","12.6785","0.0011","93.198","0.007","100.084","0.008","92.872","0.008","582.06","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 F3 N O3 -","- C11 H14 F3 N O3 -","- C22 H28 F6 N2 O6 -","2","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.109","0.0564","","","0.1207","0.1697","","","","","","1.011","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158391","11.7168","0.001","11.9298","0.0013","12.1371","0.0012","70.519","0.009","89.748","0.007","79.574","0.008","1570.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 F3 N2 O2 -","- C17 H19 F3 N2 O2 -","- C68 H76 F12 N8 O8 -","4","2","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1978","0.0742","","","0.1604","0.2399","","","","","","0.984","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158392","17.7173","0.0016","5.9455","0.0008","24.594","0.003","90","","101.644","0.01","90","","2537.4","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 F3 N O3 -","- C12 H16 F3 N O3 -","- C96 H128 F24 N8 O24 -","8","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1039","0.0642","","","0.1575","0.1922","","","","","","1.034","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158393","12.8729","0.0014","12.6636","0.0014","15.6817","0.0015","90","","90","","90","","2556.4","0.5","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H17 F3 N2 O2 -","- C12 H17 F3 N2 O2 -","- C96 H136 F24 N16 O16 -","8","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1237","0.0584","","","0.1554","0.2194","","","","","","1.008","","","","has coordinates,has disorder","271226","2021-12-07","03:55:21",""
"7158394","10.2653","0.0009","9.7195","0.0012","19.2671","0.0017","90","","104.837","0.009","90","","1858.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 F3 N3 O2 -","- C19 H22 F3 N3 O2 -","- C76 H88 F12 N12 O8 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1534","0.0635","","","0.1454","0.2223","","","","","","1.0099","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158395","11.9566","0.0004","13.9478","0.0011","8.1538","0.0003","90","","105.607","0.003","90","","1309.66","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Gupta, Manish K.; Jena, Chinmay K.; Sharma, Nagendra K.","Pd-Catalyzed C(sp<sup>2</sup>)-H olefination: synthesis of <i>N</i>-alkylated isoindolinone scaffolds from aryl amides of amino acid esters.","Organic & biomolecular chemistry","2021","19","46","10097","10104","10.1039/d1ob01997j","","","1.54184","CuKα","","0.042","0.0386","","","0.1124","0.1156","","","","","","1.082","","","","has coordinates","271219","2021-12-07","03:53:04",""
"7158396","7.2215","0.0003","8.8635","0.0004","9.7122","0.0004","91.354","0.001","92.014","0.001","92.341","0.002","620.56","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O S -","- C16 H12 O S -","- C32 H24 O2 S2 -","2","1","","Zhang, Zhu-Zhu; Sun, Cai-Ling; Zhang, Xiao-Hong; Zhang, Xing-Guo","Base-promoted thioannulation of <i>o</i>-alkynyl oxime ethers with sodium sulfide for the general synthesis of isothiocoumarins.","Organic & biomolecular chemistry","2021","19","46","10174","10180","10.1039/d1ob02012a","","","0.71073","MoKα","","0.0416","0.0375","","","0.107","0.1117","","","","","","1.066","","","","has coordinates","271223","2021-12-07","03:53:48",""
"7158397","5.4744","0.0003","17.602","0.0011","21.4574","0.0014","90","","90","","90","","2067.6","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F2 O7 S2 -","- C20 H18 F2 O7 S2 -","- C80 H72 F8 O28 S8 -","4","1","","Guinan, Mieke; Huang, Ningwu; Hawes, Chris S.; Lima, Marcelo A.; Smith, Mark; Miller, Gavin J.","Chemical synthesis of 4'-thio and 4'-sulfinyl pyrimidine nucleoside analogues.","Organic & biomolecular chemistry","2022","20","7","1401","1406","10.1039/d1ob02097h","","","0.71073","MoKα","","0.0753","0.062","","","0.1354","0.1412","","","","","","1.179","","","","has coordinates,has disorder","273424","2022-03-04","22:24:30",""
"7158398","14.238","0.003","14.993","0.003","15.638","0.002","70.194","0.007","85.592","0.007","77.672","0.008","3068.3","1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H70 N2 O12 -","- C76 H70 N2 O12 -","- C152 H140 N4 O24 -","2","1","","Spatola, Emanuele; Rispoli, Francesco; Del Giudice, Daniele; Cacciapaglia, Roberta; Casnati, Alessandro; Marchiò, Luciano; Baldini, Laura; Di Stefano, Stefano","Dissipative control of the fluorescence of a 1,3-dipyrenyl calix[4]arene in the cone conformation.","Organic & biomolecular chemistry","2021","20","1","132","138","10.1039/d1ob02096j","","","1.54178","CuKα","","0.1757","0.079","","","0.1737","0.2211","","","","","","1.017","","","","has coordinates,has disorder","272751","2022-02-04","19:59:14",""
"7158399","7.472","0.002","10.98","0.003","12.17","0.004","115.159","0.012","102.06","0.013","95.668","0.013","863.7","0.5","298.22","","298.22","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O S -","- C22 H17 N O S -","- C44 H34 N2 O2 S2 -","2","1","","Khan, Tabassum; Rajesh, Pallava; Arun, Doma; Yaragorla, Srinivasarao","Stereoselective sulfenylation of oxindole-derived propargyl alcohols to access sulfenylated-3-alkenyloxindoles.","Organic & biomolecular chemistry","2021","19","46","10201","10209","10.1039/d1ob01921j","","","0.71073","MoKα","","0.1915","0.0779","","","0.1371","0.164","","","","","","1.076","","","","has coordinates","271224","2021-12-07","03:53:53",""
"7158400","8.3651","0.0008","13.6367","0.0013","25.424","0.003","90","","90","","90","","2900.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N O P -","- C36 H32 N O P -","- C144 H128 N4 O4 P4 -","4","1","","Mino, Takashi; Fujisawa, Yohei; Yoshida, Shizuki; Hirama, Mitsuru; Akiyama, Takumu; Saito, Ryo; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Cinnamoyl amide type chiral P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2021","19","47","10385","10389","10.1039/d1ob02086b","","","0.71073","MoKα","","0.0459","0.0361","","","0.0793","0.0861","","","","","","1.014","","","","has coordinates","271871","2022-01-06","21:57:42",""
"7158401","8.631","0.003","11.371","0.004","29.685","0.011","90","","90","","90","","2913.4","1.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N O P -","- C36 H32 N O P -","- C144 H128 N4 O4 P4 -","4","1","","Mino, Takashi; Fujisawa, Yohei; Yoshida, Shizuki; Hirama, Mitsuru; Akiyama, Takumu; Saito, Ryo; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Cinnamoyl amide type chiral P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2021","19","47","10385","10389","10.1039/d1ob02086b","","","0.71073","MoKα","","0.1559","0.0846","","","0.1943","0.233","","","","","","1.041","","","","has coordinates,has disorder","271871","2022-01-06","21:57:42",""
"7158402","11.8848","0.0001","12.8057","0.0001","21.212","0.0003","90","","90","","90","","3228.32","0.06","99.9","0.3","99.9","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 Cl3 N3 O6 P -","- C26.999 H40.999 Cl2.997 N3 O6 P -","- C107.996 H163.996 Cl11.988 N12 O24 P4 -","4","1","","Rouh, Hossein; Tang, Yao; Zhang, Sai; Ali, Ahmed I. M.; Unruh, Daniel; Surowiec, Kazimierz; Li, Guigen","Asymmetric synthesis of functionalized 2,3-dihydrobenzofurans using salicyl <i>N</i>-phosphonyl imines facilitated by group-assisted purification (GAP) chemistry.","Organic & biomolecular chemistry","2021","19","47","10319","10325","10.1039/d1ob02078a","","x-ray","1.54184","CuKα","","0.0361","0.0323","","","0.08","0.0828","","","","","","1.055","","","","has coordinates,has disorder","271869","2022-01-06","21:57:27",""
"7158403","4.5957","0.0003","22.3241","0.0011","14.097","0.0009","90","","92.802","0.003","90","","1444.55","0.15","99.99","","99.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N9 O3 -","- C32 H33 N9 O3 -","- C64 H66 N18 O6 -","2","1","","McCarney, Eoin P.; McCarthy, William J.; Lovitt, June I.; Gunnlaugsson, Thorfinnur","Macrocyclic <i>vs.</i> [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis.","Organic & biomolecular chemistry","2021","19","46","10189","10200","10.1039/d1ob02032c","","","1.54178","CuKα","","0.0508","0.0434","","","0.1097","0.115","","","","","","1.054","","","","has coordinates","271221","2021-12-07","03:53:28",""
"7158404","17.58","0.02","16.258","0.019","10.196","0.011","90","","101.78","0.02","90","","2853","6","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 N7 -","- C29 H43 N7 -","- C116 H172 N28 -","4","1","","McCarney, Eoin P.; McCarthy, William J.; Lovitt, June I.; Gunnlaugsson, Thorfinnur","Macrocyclic <i>vs.</i> [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis.","Organic & biomolecular chemistry","2021","19","46","10189","10200","10.1039/d1ob02032c","","x-ray","1.54178","CuKα","K-L~3~","0.1583","0.0904","","","0.2534","0.3128","","","","","","1.036","","","","has coordinates,has disorder","271221","2021-12-07","03:53:28",""
"7158405","4.8236","0.0002","23.2321","0.0013","25.2997","0.0015","90","","90.64","0.004","90","","2835","0.3","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N9 O3 -","- C30 H28 N9 O3 -","- C120 H112 N36 O12 -","4","1","","McCarney, Eoin P.; McCarthy, William J.; Lovitt, June I.; Gunnlaugsson, Thorfinnur","Macrocyclic <i>vs.</i> [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis.","Organic & biomolecular chemistry","2021","19","46","10189","10200","10.1039/d1ob02032c","","","1.54178","CuKα","","0.0907","0.0762","","","0.2103","0.222","","","","","","1.107","","","","has coordinates,has disorder","271221","2021-12-07","03:53:28",""
"7158406","13.1846","0.001","7.7958","0.0007","15.6184","0.0012","90","","113.389","0.009","90","","1473.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl N2 -","- C18 H15 Cl N2 -","- C72 H60 Cl4 N8 -","4","1","","Zhang, Xiaoxiang; Zhang, Yingying; Gu, Xiaoting; Zhang, Zhuan; Wei, Wanxing; Liang, Taoyuan","Synthesis of 3-halogenated 2,3'-biindoles by a copper-mediated 2,3-difunctionalization of indoles.","Organic & biomolecular chemistry","2021","19","47","10403","10407","10.1039/d1ob02024b","","","0.71073","MoKα","","0.0887","0.0608","","","0.1305","0.1473","","","","","","1.07","","","","has coordinates","271872","2022-01-06","21:57:50",""
"7158407","18.604","0.0008","12.3733","0.0004","20.0612","0.0008","90","","97.643","0.001","90","","4576.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","19AU04","","- C26 H21 Br2 Cl O -","- C26 H21 Br2 Cl O -","- C208 H168 Br16 Cl8 O8 -","8","2","","Kuan, Tzu-Hsuan; Kotipalli, Trimurtulu; Chen, Cheng-Chun; Hou, Duen-Ren","Addition of benzyl ethers to alkynes: a metal-free synthesis of 1<i>H</i>-isochromenes.","Organic & biomolecular chemistry","2021","19","47","10390","10402","10.1039/d1ob01941d","","","0.71073","MoKα","","0.1548","0.0827","","","0.2047","0.2544","","","","","","1.021","","","","has coordinates","271868","2022-01-06","21:57:21",""
"7158408","7.085","0.003","10.81","0.005","19.32","0.007","79.174","0.015","85.596","0.011","82.452","0.014","1438.7","1","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 Cl O -","- C15 H23 Cl O -","- C60 H92 Cl4 O4 -","4","2","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0839","","","","0.2127","","","","","","1.035","","","","has coordinates","271867","2022-01-06","21:57:14",""
"7158409","8.985","0.004","14.486","0.009","10.592","0.005","90","","98.454","0.017","90","","1363.6","1.2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl O -","- C15 H23 Cl O -","- C60 H92 Cl4 O4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0402","","","","0.1071","","","","","","1.079","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158410","11.525","0.004","9.518","0.004","14.178","0.006","90","","98.81","0.015","90","","1536.9","1.1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 O S -","- C16 H26 O S -","- C64 H104 O4 S4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0522","","","","0.1193","","","","","","1.044","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158411","5.686","0.003","26.359","0.013","10.269","0.005","90","","93.343","0.017","90","","1536.5","1.3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 O S -","- C16 H26 O S -","- C64 H104 O4 S4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0903","","","","0.1694","","","","","","1.082","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158412","8.183","0.004","9.828","0.003","16.544","0.005","90","","90","","90","","1330.5","0.9","103","","103","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","0.0457","0.037","","","0.0721","0.0758","","","","","","1.033","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158413","9.336","0.002","12.665","0.004","12.308","0.004","90","","104.355","0.014","90","","1409.9","0.7","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl O2 -","- C15 H23 Cl O2 -","- C60 H92 Cl4 O8 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","0.0466","0.0387","","","0.0904","0.0945","","","","","","1.046","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158414","5.702","0.004","17.711","0.008","14.235","0.006","90","","94.834","0.019","90","","1432.5","1.3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Cl O -","- C15 H23 Cl O -","- C60 H92 Cl4 O4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0408","","","","0.1136","","","","","","1.14","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158415","9.084","0.004","17.37","0.007","14.777","0.006","90","","95.273","0.006","90","","2321.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O5 -","- C26 H26 N2 O5 -","- C104 H104 N8 O20 -","4","1","","Wu, Chaofei; Wan, Junlin; Song, Chao; He, Lingchen; Liu, Hongxin; Li, Xinhua; Li, Juan; Hu, Xin-Gen; Xiao, Hong-Ping; Jiang, Jun","Yb(OTf)<sub>3</sub> catalyzed [1,3]-rearrangement of 3-alkenyl oxindoles.","Organic & biomolecular chemistry","2021","20","1","122","126","10.1039/d0ob02032j","","","0.71073","MoKα","","0.0661","0.0506","","","0.1629","0.1857","","","","","","1.047","","","","has coordinates","272752","2022-02-04","19:59:26",""
"7158416","9.3272","0.0008","13.2464","0.0012","18.7695","0.0016","90","","95.372","0.001","90","","2308.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 O6 -","- C27 H26 N2 O6 -","- C108 H104 N8 O24 -","4","1","","Wu, Chaofei; Wan, Junlin; Song, Chao; He, Lingchen; Liu, Hongxin; Li, Xinhua; Li, Juan; Hu, Xin-Gen; Xiao, Hong-Ping; Jiang, Jun","Yb(OTf)<sub>3</sub> catalyzed [1,3]-rearrangement of 3-alkenyl oxindoles.","Organic & biomolecular chemistry","2021","20","1","122","126","10.1039/d0ob02032j","","","0.71073","MoKα","","0.0423","0.0353","","","0.1019","0.1066","","","","","","1.073","","","","has coordinates","272752","2022-02-04","19:59:28",""
"7158417","7.8883","0.0006","8.1714","0.0007","10.3538","0.0008","71.537","0.002","79.335","0.002","70.634","0.003","594.83","0.08","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Br4 Cu2 F2 N4 -","- C18 H22 Br4 Cu2 F2 N4 -","- C18 H22 Br4 Cu2 F2 N4 -","1","0.5","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0288","0.0209","","","0.0451","0.0473","","","","","","1.068","","","","has coordinates","272749","2022-02-04","19:58:58",""
"7158418","9.9462","0.0008","11.8055","0.0009","7.1741","0.0007","90","","109.811","0.005","90","","792.53","0.12","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F N2 -","- C9 H7 F N2 -","- C36 H28 F4 N8 -","4","1","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0835","0.0771","","","0.2489","0.2555","","","","","","1.175","","","","has coordinates","272749","2022-02-04","19:58:58",""
"7158419","11.5858","0.0004","11.5858","0.0004","29.2335","0.0013","90","","90","","90","","3924","0.3","193","2","193","2","","","","","","","synthesis as described","7","I -4","I -4","82","","","","- C72 H108 Cl6 Cu4 F4 N8 O -","- C72 H108 Cl6 Cu4 F4 N8 O -","- C144 H216 Cl12 Cu8 F8 N16 O2 -","2","0.25","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0673","0.0452","","","0.1045","0.1152","","","","","","1.04","","","","has coordinates,has disorder","272749","2022-02-04","19:58:58",""
"7158420","15.8734","0.0006","17.3509","0.0007","6.6216","0.0003","90","","90","","90","","1823.71","0.13","193","2","193","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H8 F N3 -","- C10 H8 F N3 -","- C80 H64 F8 N24 -","8","0.5","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0471","0.0398","","","0.1093","0.1184","","","","","","1.083","","","","has coordinates","272749","2022-02-04","19:58:58",""
"7158421","9.4275","0.0008","10.8201","0.0008","27.124","0.002","92.649","0.003","93.232","0.003","92.618","0.003","2756.2","0.4","190","","190","","","","","","","","","5","P 1","P 1","1","","","","- C20 H27 N2 O6 P -","- C20 H27 N2 O6 P -","- C100 H135 N10 O30 P5 -","5","5","","Meng, Fan-Jie; Shao, Bing-Ru; Velopolcek, Maria K.; Guo, Xuan; Feng, Guang-Shou; Shi, Lei","Redox deracemization of phosphonate-substituted dihydropyrimidines.","Organic & biomolecular chemistry","2021","19","48","10570","10574","10.1039/d1ob02079j","","","1.34139","GaKα","","0.054","0.0462","","","0.1172","0.1243","","","","","","1.04","","","","has coordinates,has disorder","271873","2022-01-06","21:57:58",""
"7158422","8.9945","0.0002","8.987","0.0002","14.4355","0.0003","90","","94.766","0.001","90","","1162.84","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N2 O6 P -","- C21 H29 N2 O6 P -","- C42 H58 N4 O12 P2 -","2","1","","Meng, Fan-Jie; Shao, Bing-Ru; Velopolcek, Maria K.; Guo, Xuan; Feng, Guang-Shou; Shi, Lei","Redox deracemization of phosphonate-substituted dihydropyrimidines.","Organic & biomolecular chemistry","2021","19","48","10570","10574","10.1039/d1ob02079j","","","0.71073","MoKα","","0.0359","0.032","","","0.0848","0.0888","","","","","","1.054","","","","has coordinates,has disorder","271873","2022-01-06","21:57:58",""
"7158423","17.1924","0.0002","17.1924","0.0002","8.8177","0.0002","90","","90","","90","","2606.32","0.07","100","0.1","100","0.1","","","","","","","","3","I -4","I -4","82","","","","- C15 H12 Se2 -","- C15 H12 Se2 -","- C120 H96 Se16 -","8","1","","Jagdev, Kesar; Tanini, Damiano; Lownes, Jack W.; Figliola, Carlotta; Male, Louise; Capperucci, Antonella; Grainger, Richard S.","Glutathione peroxidase mimics based on conformationally-restricted, <i>peri</i>-like, 4,5-disubstituted fluorene dichalcogenides.","Organic & biomolecular chemistry","2021","19","48","10565","10569","10.1039/d1ob02153b","","x-ray","1.54184","CuKα","","0.0147","0.0146","","","0.0368","0.0369","","","","","","1.065","","","","has coordinates","271875","2022-01-06","21:58:10",""
"7158424","9.1936","0.0002","12.7735","0.0003","17.6722","0.0004","73.363","0.002","79.2638","0.0018","71.888","0.002","1879.11","0.08","100.01","0.1","100.01","0.1","","","","","","","","3","P 1","P 1","1","","","","- C21 H24 Se2 -","- C21 H24 Se2 -","- C84 H96 Se8 -","4","4","","Jagdev, Kesar; Tanini, Damiano; Lownes, Jack W.; Figliola, Carlotta; Male, Louise; Capperucci, Antonella; Grainger, Richard S.","Glutathione peroxidase mimics based on conformationally-restricted, <i>peri</i>-like, 4,5-disubstituted fluorene dichalcogenides.","Organic & biomolecular chemistry","2021","19","48","10565","10569","10.1039/d1ob02153b","","x-ray","1.54184","CuKα","","0.0314","0.0292","","","0.0724","0.0748","","","","","","1.044","","","","has coordinates,has disorder","271875","2022-01-06","21:58:10",""
"7158425","9.185","0.007","12.053","0.009","19.519","0.014","76.378","0.012","89.717","0.012","89.993","0.013","2100","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H54 S4 -","- C50 H54 S4 -","- C100 H108 S8 -","2","1","","Sartucci, Jenna L.; Maity, Arindam; Mohanan, Manikandan; Bertke, Jeffery; Kertesz, Miklos; Gavvalapalli, Nagarjuna","Molecular tetrominoes: selective masking of the donor π-face to control the configuration of donor-acceptor complexes.","Organic & biomolecular chemistry","2022","20","2","375","386","10.1039/d1ob02293h","","","0.71073","MoKα","","0.214","0.1047","","","0.208","0.2547","","","","","","1.033","","","","has coordinates","272771","2022-02-04","20:02:24",""
"7158426","6.4871","0.0013","7.1989","0.0015","17.9","0.004","92.211","0.008","97.288","0.008","102.06","0.007","809","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H14 Cl4 N4 O4 -","- C38 H14 Cl4 N4 O4 -","- C38 H14 Cl4 N4 O4 -","1","0.5","","Sartucci, Jenna L.; Maity, Arindam; Mohanan, Manikandan; Bertke, Jeffery; Kertesz, Miklos; Gavvalapalli, Nagarjuna","Molecular tetrominoes: selective masking of the donor π-face to control the configuration of donor-acceptor complexes.","Organic & biomolecular chemistry","2022","20","2","375","386","10.1039/d1ob02293h","","","0.71073","MoKα","","0.0428","0.0327","","","0.0816","0.0877","","","","","","1.074","","","","has coordinates,has disorder","272771","2022-02-04","20:02:24",""
"7158427","11.8779","0.0006","14.0953","0.0007","16.4691","0.0007","90","","90","","90","","2757.3","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 S2 -","- C36 H34 S2 -","- C144 H136 S8 -","4","1","","Sartucci, Jenna L.; Maity, Arindam; Mohanan, Manikandan; Bertke, Jeffery; Kertesz, Miklos; Gavvalapalli, Nagarjuna","Molecular tetrominoes: selective masking of the donor π-face to control the configuration of donor-acceptor complexes.","Organic & biomolecular chemistry","2022","20","2","375","386","10.1039/d1ob02293h","","","0.71073","MoKα","","0.0337","0.0335","","","0.09","0.0901","","","","","","1.108","","","","has coordinates","272771","2022-02-04","20:02:24",""
"7158428","8.9341","0.0004","10.7311","0.0005","12.8284","0.0005","73.101","0.002","82.359","0.002","83.312","0.002","1162.4","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O2 -","- C30.004 H28.009 O2 -","- C60.008 H56.018 O4 -","2","1","","Baire, Beeraiah; Santhi, Jampani","Ag(I)-Promoted homo-dimerization of 2-(alk-2-yn-1-onyl)-1-alkynylbenzenes <i>via</i> a [4 + 2] cycloaddition of benzopyrylium ions: access to structurally unique naphthalenes.","Organic & biomolecular chemistry","2021","20","1","247","251","10.1039/d1ob02229f","","","0.71073","MoKα","","0.0982","0.0546","","","0.1427","0.1833","","","","","","1.016","","","","has coordinates,has disorder","272750","2022-02-04","19:59:06",""
"7158429","13.5539","0.0007","17.8625","0.0008","12.4649","0.0009","90","","122.657","0.002","90","","2540.8","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H18 Br2 O -","- C33 H18 Br2 O -","- C132 H72 Br8 O4 -","4","1","","Baire, Beeraiah; Santhi, Jampani","Ag(I)-Promoted homo-dimerization of 2-(alk-2-yn-1-onyl)-1-alkynylbenzenes <i>via</i> a [4 + 2] cycloaddition of benzopyrylium ions: access to structurally unique naphthalenes.","Organic & biomolecular chemistry","2021","20","1","247","251","10.1039/d1ob02229f","","","0.71073","MoKα","","0.0635","0.0352","","","0.0752","0.0835","","","","","","0.954","","","","has coordinates","272750","2022-02-04","19:59:06",""
"7158430","31.9258","0.0015","18.7977","0.0009","8.245","0.0004","90","","96.472","0.002","90","","4916.6","0.4","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 O2 -","- C34 H20 O2 -","- C272 H160 O16 -","8","1","","Baire, Beeraiah; Santhi, Jampani","Ag(I)-Promoted homo-dimerization of 2-(alk-2-yn-1-onyl)-1-alkynylbenzenes <i>via</i> a [4 + 2] cycloaddition of benzopyrylium ions: access to structurally unique naphthalenes.","Organic & biomolecular chemistry","2021","20","1","247","251","10.1039/d1ob02229f","","","0.71073","MoKα","","0.0894","0.0644","","","0.1611","0.1763","","","","","","1.083","","","","has coordinates","272750","2022-02-04","19:59:06",""
"7158431","21.4559","0.0018","8.8913","0.0008","17.8312","0.0016","90","","102.21","0.009","90","","3324.7","0.5","292.99","0.1","292.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N3 O3 -","- C17 H14 Br N3 O3 -","- C136 H112 Br8 N24 O24 -","8","2","","Li, Yi-Na; Li, Xue-Lin; Wu, Jin-Bo; Jiang, Hong; Liu, Yunmei; Guo, Yu; Zeng, Yao-Fu; Wang, Zhen","Metal-free regioselective nitration of quinoxalin-2(1<i>H</i>)-ones with <i>tert</i>-butyl nitrite.","Organic & biomolecular chemistry","2021","19","48","10554","10559","10.1039/d1ob02015c","","x-ray","0.71073","MoKα","","0.1298","0.0554","","","0.0981","0.1249","","","","","","1.018","","","","has coordinates","271874","2022-01-06","21:58:03",""
"7158432","11.7039","0.0006","17.6409","0.0008","15.4808","0.0007","90","","100.776","0.0011","90","","3139.9","0.3","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 N2 O2 -","- C43 H32 N2 O2 -","- C172 H128 N8 O8 -","4","1","","Zhang, Wande; Nawaz, Shah; Huang, Yue; Gong, Wenjing; Wei, Xingfu; Qu, Jingping; Wang, Baomin","C-4 benzofuranylation of pyrazolones by a metal-free catalyzed indirect heteroarylation strategy.","Organic & biomolecular chemistry","2021","19","46","10215","10222","10.1039/d1ob01920a","","","0.71073","MoKα","","0.0674","0.0425","","","0.0961","0.1041","","","","","","1","","","","has coordinates","271120","2021-12-06","06:50:29",""
"7158433","13.277","0.0009","10.5088","0.0007","27.5974","0.0019","90","","90","","90","","3850.5","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H18 Cl N O3 -","- C23 H18 Cl N O3 -","- C184 H144 Cl8 N8 O24 -","8","2","","Lu, Wen-Xiu; Xing, Jian; Sun, Yijia; Huang, Qinge; Deng, Zhenwei; Mao, Jian-Gang","Palladium-catalyzed and alcohol-enabled transformation to synthesize benzocyclic ketones.","Organic & biomolecular chemistry","2021","19","46","10210","10214","10.1039/d1ob01996a","","","0.71073","MoKα","","0.0713","0.0566","","","0.1493","0.1688","","","","","","1.106","","","","has coordinates","271121","2021-12-06","06:51:17",""
"7158434","8.9944","0.0019","10.698","0.002","11.488","0.002","116.186","0.006","111.602","0.006","90.504","0.007","902.6","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Kolla, Sai Teja; Rayala, Nageswara Rao; Sridhar, Balasubramanian; Bhimapaka, China Raju","Unexpected ring opening of pyrazolines with activated alkynes: synthesis of 1<i>H</i>-pyrazole-4,5-dicarboxylates and chromenopyrazolecarboxylates.","Organic & biomolecular chemistry","2022","20","2","334","338","10.1039/d1ob01727f","","","0.71073","MoKα","","0.0874","0.0574","","","0.149","0.1727","","","","","","1.03","","","","has coordinates","272769","2022-02-04","20:02:13",""
"7158435","5.6344","0.0003","34.671","0.0019","8.8274","0.0005","90","","92.1715","0.0018","90","","1723.2","0.16","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C68 H80 N8 O20 -","4","1","","Kolla, Sai Teja; Rayala, Nageswara Rao; Sridhar, Balasubramanian; Bhimapaka, China Raju","Unexpected ring opening of pyrazolines with activated alkynes: synthesis of 1<i>H</i>-pyrazole-4,5-dicarboxylates and chromenopyrazolecarboxylates.","Organic & biomolecular chemistry","2022","20","2","334","338","10.1039/d1ob01727f","","","0.71073","MoKα","","0.057","0.0433","","","0.1049","0.112","","","","","","1.11","","","","has coordinates","272769","2022-02-04","20:02:13",""
"7158436","7.2949","0.0002","11.9167","0.0002","14.4321","0.0003","90","","90","","90","","1254.6","0.05","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 O2 -","- C30 H30 N6 O2 -","- C60 H60 N12 O4 -","2","0.5","","Goud, S. Banuprakash; Guin, Soumitra; Prakash, Meher; Samanta, Sampak","Cu(OAc)<sub>2</sub>/DABCO-mediated domino reaction of vinyl malononitriles with cyclic sulfamidate imines: access to 6-hydroxyaryl-2-aminonicotinonitriles.","Organic & biomolecular chemistry","2022","20","2","352","357","10.1039/d1ob02095a","","","0.71073","MoKα","","0.0393","0.0367","","","0.1136","0.1183","","","","","","0.998","","","","has coordinates","272772","2022-02-04","20:02:29",""
"7158437","11.6459","0.0006","18.2738","0.0009","8.8614","0.0005","90","","98.757","0.002","90","","1863.85","0.17","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Jiang, Jinyuan; Liu, Jidan; Yang, Zhenke; Zheng, Jieying; Tian, Xin; Zheng, Liyao; Liu, Zhao-Qing","Rhodium(III)-catalyzed oxidative annulation of isoquinolones with allyl alcohols: synthesis of isoindolo[2,1-<i>b</i>]isoquinolin-5(7<i>H</i>)-ones.","Organic & biomolecular chemistry","2022","20","2","339","344","10.1039/d1ob02305e","","","0.71073","MoKα","","0.0978","0.0516","","","0.1109","0.1464","","","","","","1.062","","","","has coordinates","272770","2022-02-04","20:02:17",""
"7158438","8.37408","0.00012","26.0423","0.0003","13.33213","0.00018","90","","94.8115","0.0014","90","","2897.23","0.07","112.65","0.1","112.65","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H28 N2 O9 -","- C37 H28 N2 O9 -","- C148 H112 N8 O36 -","4","2","","Lv, Jie; Li, Zhi-Hong; Deng, An-Jun; Qin, Hai-Lin","A unified total synthesis of benzo[<i>d</i>][1,3]dioxole-type benzylisoquinoline alkaloids of aporphines, coptisines, and dibenzopyrrocolines.","Organic & biomolecular chemistry","2022","20","3","658","666","10.1039/d1ob02258j","","x-ray","1.54184","CuKα","","0.041","0.0392","","","0.0956","0.0977","","","","","","1.022","","","","has coordinates","272777","2022-02-04","20:03:01",""
"7158439","11.6413","0.0001","12.8726","0.0001","25.5684","0.0004","90","","90","","90","","3831.52","0.07","293","2","294.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C21 H20 Cl N O6 -","- C21 H20 Cl N O6 -","- C168 H160 Cl8 N8 O48 -","8","1","","Lv, Jie; Li, Zhi-Hong; Deng, An-Jun; Qin, Hai-Lin","A unified total synthesis of benzo[<i>d</i>][1,3]dioxole-type benzylisoquinoline alkaloids of aporphines, coptisines, and dibenzopyrrocolines.","Organic & biomolecular chemistry","2022","20","3","658","666","10.1039/d1ob02258j","","x-ray","1.54184","CuKα","","0.0582","0.0453","","","0.1057","0.1225","","","","","","1.195","","","","has coordinates","272777","2022-02-04","20:03:01",""
"7158440","10.291","0.0009","19.2325","0.0017","8.6155","0.0007","90","","113.623","0.004","90","","1562.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N2 O2 -","- C17 H17 Cl N2 O2 -","- C68 H68 Cl4 N8 O8 -","4","1","","Wang, Huai-Wei; Wu, Jia-Xue; Li, Da-Cheng; Qiao, Yu-Han; Yao, Qing-Xia; Sun, Wen-Can; Dou, Jian-Min","The synthesis of aryl-heteroaryl derivatives <i>via</i> the Rh<sup>III</sup>-catalyzed heteroarylation of arenes and heteroaromatic boronates.","Organic & biomolecular chemistry","2022","20","3","686","693","10.1039/d1ob02201f","","","0.71073","MoKα","","0.0857","0.0534","","","0.1284","0.143","","","","","","1.052","","","","has coordinates","272776","2022-02-04","20:02:52",""
"7158441","8.5191","0.0002","10.3297","0.0002","18.8853","0.0004","90","","96.6638","0.0008","90","","1650.67","0.06","297","2","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O2 S -","- C19 H15 N3 O2 S -","- C76 H60 N12 O8 S4 -","4","1","","Aggarwal, Ranjana; Hooda, Mona; Kumar, Prince; Torralba, Mari Carmen","Visible-light-mediated regioselective synthesis of novel thiazolo[3,2-<i>b</i>][1,2,4]triazoles: advantageous synthetic application of aqueous conditions.","Organic & biomolecular chemistry","2022","20","3","584","595","10.1039/d1ob02194j","","","1.54178","CuKα","","0.0496","0.0468","","","0.1295","0.1324","","","","","","1.061","","","","has coordinates","272778","2022-02-04","20:03:06",""
"7158442","10.3376","0.0005","11.2041","0.0006","11.6795","0.0006","80.99","0.002","68.532","0.001","81.497","0.002","1237.33","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N3 O -","- C29 H32 N3 O -","- C58 H64 N6 O2 -","2","1","","Rai, Vishakha; P, Kavyashree; Harmalkar, Sarvesh S.; Dhuri, Sundar N.; Maddani, Mahagundappa R.","1,6-Addition of 1,2,3-NH triazoles to <i>para</i>-quinone methides: Facile access to highly selective N<sup>1</sup> and N<sup>2</sup> substituted triazoles.","Organic & biomolecular chemistry","2022","20","2","345","351","10.1039/d1ob01717a","","","0.71073","MoKα","","0.0802","0.0566","","","0.146","0.1649","","","","","","1.036","","","","has coordinates","272774","2022-02-04","20:02:42",""
"7158443","11.0143","0.0014","15.747","0.002","15.541","0.002","90","","104.578","0.004","90","","2608.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N3 O -","- C29 H32 N3 O -","- C116 H128 N12 O4 -","4","1","","Rai, Vishakha; P, Kavyashree; Harmalkar, Sarvesh S.; Dhuri, Sundar N.; Maddani, Mahagundappa R.","1,6-Addition of 1,2,3-NH triazoles to <i>para</i>-quinone methides: Facile access to highly selective N<sup>1</sup> and N<sup>2</sup> substituted triazoles.","Organic & biomolecular chemistry","2022","20","2","345","351","10.1039/d1ob01717a","","","0.71073","MoKα","","0.1382","0.0598","","","0.1487","0.1957","","","","","","1.019","","","","has coordinates","272774","2022-02-04","20:02:42",""
"7158444","16.6926","0.0003","6.6723","0.0001","26.1236","0.0007","90","","99.22","0.002","90","","2872","0.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","1","","Zhang, Yuan; Liu, Zhiqi; Zhu, Tingyu; Huang, Ying; Fan, Weibin; Huang, Deguang","Synthesis of methylene-bridged α,β-unsaturated ketones: α-C<sub>sp<sup>3</sup></sub>-H methylenation of aromatic ketones using Selectfluor as a mild oxidant.","Organic & biomolecular chemistry","2022","20","2","415","419","10.1039/d1ob02043a","","","1.54184","CuKα","","0.0368","0.034","","","0.0902","0.0921","","","","","","1.065","","","","has coordinates","272773","2022-02-04","20:02:36",""
"7158445","9.9698","0.0002","14.9389","0.0003","21.1714","0.0004","90","","91.459","0.002","90","","3152.2","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C152 H128 N16 O24 -","8","2","","Zhang, Yuan; Liu, Zhiqi; Zhu, Tingyu; Huang, Ying; Fan, Weibin; Huang, Deguang","Synthesis of methylene-bridged α,β-unsaturated ketones: α-C<sub>sp<sup>3</sup></sub>-H methylenation of aromatic ketones using Selectfluor as a mild oxidant.","Organic & biomolecular chemistry","2022","20","2","415","419","10.1039/d1ob02043a","","","1.54184","CuKα","","0.0557","0.0409","","","0.1035","0.111","","","","","","1.059","","","","has coordinates","272773","2022-02-04","20:02:36",""
"7158446","12.5541","0.0007","6.665","0.0004","20.2899","0.0011","90","","103.002","0.006","90","","1654.19","0.17","200","0.1","200","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Br N O3 Se -","- C17 H14 Br N O3 Se -","- C68 H56 Br4 N4 O12 Se4 -","4","1","","Zhou, Chen-Fan; Zhang, Yun-Qian; Ling, Yong; Ming, Liang; Xi, Xia; Liu, Gong-Qing; Zhang, Yanan","Time-economical synthesis of selenofunctionalized heterocycles <i>via</i> I<sub>2</sub>O<sub>5</sub>-mediated selenylative heterocyclization.","Organic & biomolecular chemistry","2022","20","2","420","426","10.1039/d1ob02196f","","x-ray","0.71073","MoKα","","0.0484","0.0333","","","0.0599","0.0659","","","","","","1.037","","","","has coordinates","272775","2022-02-04","20:02:47",""
"7158447","8.0638","0.0005","8.215","0.0007","24.112","0.002","90","","90","","90","","1597.3","0.2","100.01","0.11","100.01","0.11","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 S2 Se -","- C15 H17 N O2 S2 Se -","- C60 H68 N4 O8 S8 Se4 -","4","1","","Zhou, Chen-Fan; Zhang, Yun-Qian; Ling, Yong; Ming, Liang; Xi, Xia; Liu, Gong-Qing; Zhang, Yanan","Time-economical synthesis of selenofunctionalized heterocycles <i>via</i> I<sub>2</sub>O<sub>5</sub>-mediated selenylative heterocyclization.","Organic & biomolecular chemistry","2022","20","2","420","426","10.1039/d1ob02196f","","x-ray","0.71073","MoKα","","0.0588","0.0485","","","0.0876","0.0923","","","","","","1.066","","","","has coordinates,has disorder","272775","2022-02-04","20:02:48",""
"7158448","10.4753","0.0014","12.8737","0.0018","24.51","0.003","90","","90","","90","","3305.3","0.8","273.15","","273.15","","","","","","","","","1","F d d d :2","-F 2uv 2vw","70","","","","- S8 -","- S8 -","- S128 -","16","0.5","","Chen, Wei; Zhou, Hui; Ren, Bai-Hao; Ren, Wei-Min; Lu, Xiao-Bing","COS-triggered oxygen/sulfur exchange of isatins: chemoselective synthesis of functionalized isoindigos and spirothiopyrans <i>via</i> self-condensation and the thio-Diels-Alder reaction.","Organic & biomolecular chemistry","2022","20","3","678","685","10.1039/d1ob02157e","","","0.71073","MoKα","","0.0232","0.02","","","0.0484","0.0499","","","","","","1.063","","","","has coordinates","272780","2022-02-04","20:03:30",""
"7158449","12.0825","0.0008","6.2924","0.0004","15.8782","0.001","90","","90.701","0.004","90","","1207.1","0.13","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N2 O2 Si2 -","- C24 H30 N2 O2 Si2 -","- C48 H60 N4 O4 Si4 -","2","0.5","","Chen, Wei; Zhou, Hui; Ren, Bai-Hao; Ren, Wei-Min; Lu, Xiao-Bing","COS-triggered oxygen/sulfur exchange of isatins: chemoselective synthesis of functionalized isoindigos and spirothiopyrans <i>via</i> self-condensation and the thio-Diels-Alder reaction.","Organic & biomolecular chemistry","2022","20","3","678","685","10.1039/d1ob02157e","","","0.71073","MoKα","","0.125","0.0537","","","0.1148","0.1466","","","","","","0.97","","","","has coordinates","272780","2022-02-04","20:03:30",""
"7158450","22.659","0.003","8.6862","0.0014","15.721","0.003","90","","121.417","0.009","90","","2640.6","0.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N4 O2 -","- C16 H12 N4 O2 -","- C128 H96 N32 O16 -","8","1","","Chen, Wei; Zhou, Hui; Ren, Bai-Hao; Ren, Wei-Min; Lu, Xiao-Bing","COS-triggered oxygen/sulfur exchange of isatins: chemoselective synthesis of functionalized isoindigos and spirothiopyrans <i>via</i> self-condensation and the thio-Diels-Alder reaction.","Organic & biomolecular chemistry","2022","20","3","678","685","10.1039/d1ob02157e","","","0.71073","MoKα","","0.1352","0.0945","","","0.2506","0.2786","","","","","","1.074","","","","has coordinates","272780","2022-02-04","20:03:30",""
"7158451","11.3198","0.0004","16.1408","0.0004","12.8871","0.0006","90","","112.596","0.0009","90","","2173.86","0.14","220","2","220","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H56 N4 O12 S2 -","- C38 H56 N4 O12 S2 -","- C76 H112 N8 O24 S4 -","2","1","","Choi, Sunglim; Shim, Jihyun; Kang, Philjae; Choi, Soo Hyuk","Effect of a <i>cis</i>-4-aminopiperidine-3-carboxylic acid (<i>cis</i>-APiC) residue on mixed-helical folding of unnatural peptides.","Organic & biomolecular chemistry","2022","20","3","613","618","10.1039/d1ob02223g","","","0.71073","MoKα","","0.0597","0.038","","","0.0725","0.0796","","","","","","1.023","","","","has coordinates","272779","2022-02-04","20:03:24",""
"7158452","9.6129","0.0008","16.6129","0.0006","27.4345","0.0016","90","","90","","90","","4381.2","0.5","150","2","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H55 Cl3 N6 O10 S -","- C36 H55 Cl3 N6 O10 S -","- C144 H220 Cl12 N24 O40 S4 -","4","1","","Choi, Sunglim; Shim, Jihyun; Kang, Philjae; Choi, Soo Hyuk","Effect of a <i>cis</i>-4-aminopiperidine-3-carboxylic acid (<i>cis</i>-APiC) residue on mixed-helical folding of unnatural peptides.","Organic & biomolecular chemistry","2022","20","3","613","618","10.1039/d1ob02223g","","","1.54178","CuKα","","0.1044","0.0643","","","0.1405","0.1602","","","","","","1.034","","","","has coordinates,has disorder","272779","2022-02-04","20:03:24",""
"7158453","43.685","0.009","10.18","0.002","12.884","0.003","90","","103.5","0.03","90","","5571","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H73 N7 O9 -","- C48 H73 N7 O9 -","- C192 H292 N28 O36 -","4","1","","Choi, Sunglim; Shim, Jihyun; Kang, Philjae; Choi, Soo Hyuk","Effect of a <i>cis</i>-4-aminopiperidine-3-carboxylic acid (<i>cis</i>-APiC) residue on mixed-helical folding of unnatural peptides.","Organic & biomolecular chemistry","2022","20","3","613","618","10.1039/d1ob02223g","","","0.7","synchrotron","","0.0483","0.0455","","","0.1252","0.1281","","","","","","1.036","","","","has coordinates","272779","2022-02-04","20:03:24",""
"7158454","12.2643","0.0009","7.5844","0.0006","21.7321","0.0016","90","","95.637","0.007","90","","2011.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetrahydrochromeno[4,3-b]pyrrole","dimethyl (E)-3-styryl-1,2,3,9b-tetrahydrochromeno[4,3-b]pyrrole-2,3a(4H)-dicarboxylate","","- C7 H0 N16 O6 -","- C23 H23 N O5 -","- C92 H92 N4 O20 -","4","1","","Bakthadoss, Manickam; Mushaf, Mohammad; Agarwal, Vishal; Reddy, Tadiparthi Thirupathi; Sharada, Duddu S.","Azomethine ylide cycloaddition of 1,3-dienyl esters: highly regio- and diastereoselective synthesis of functionalized pyrrolidinochromenes.","Organic & biomolecular chemistry","2022","20","4","778","782","10.1039/d1ob02042k","","","0.7107","MoKα","","0.1011","0.0606","","","0.1565","0.1819","","","","","","1.07","","","","has coordinates","272760","2022-02-04","20:00:47",""
"7158455","9.6823","0.0004","10.4434","0.0004","11.6367","0.0005","82.076","0.004","78.416","0.004","65.109","0.004","1043.73","0.08","210","","210","","","","","","","","","3","P -1","-P 1","2","","6-Methoxy-2,3-bis(4-methoxyphenyl)benzo[de]chromene","","- C56 H46 O6 -","- C54 H44 O8 -","- C54 H44 O8 -","1","0.5","","Araujo Dias, Antônio Junio; Takahashi, Hiroto; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken","Oxidative [4 + 2] annulation of 1-naphthols with alkynes accelerated by an electron-deficient rhodium(III) catalysts.","Organic & biomolecular chemistry","2022","20","5","1008","1012","10.1039/d1ob02181h","","x-ray","0.71073","MoKα","","0.0594","0.0464","","","0.1312","0.1404","","","","","","1.062","","","","has coordinates","272754","2022-02-04","19:59:38",""
"7158456","9.1139","0.001","11.7059","0.0012","12.6851","0.0014","109.356","0.009","100.318","0.009","106.611","0.009","1166.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F3 N O3.5 S2 -","- C25 H23 F3 N O3.5 S2 -","- C50 H46 F6 N2 O7 S4 -","2","1","","Santiago, Carlos; Jiménez-Aberasturi, Xabier; Leicea, Eztizen; Lete, Marta G.; Sotomayor, Nuria; Lete, Esther","Microwave-assisted palladium catalysed C-H acylation with aldehydes: synthesis and diversification of 3-acylthiophenes.","Organic & biomolecular chemistry","2022","20","4","852","861","10.1039/d1ob02176a","","x-ray","0.71073","MoKα","","0.1205","0.0679","","","0.1186","0.1502","","","","","","1.044","","","","has coordinates,has disorder","272764","2022-02-04","20:01:10",""
"7158457","8.4528","0.0003","10.0726","0.0004","11.6966","0.0006","77.56","0.004","75.781","0.003","68.597","0.002","890.01","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl N Si -","- C20 H20 Cl N Si -","- C40 H40 Cl2 N2 Si2 -","2","1","","Cembellín, Sara; Maisuls, Iván; Daniliuc, Constantin G.; Osthues, Helena; Doltsinis, Nikos L.; Strassert, Cristian A.; Glorius, Frank","One-step synthesis of indolizino[3,4,5-<i>ab</i>]isoindoles by manganese(I)-catalyzed C-H activation: structural studies and photophysical properties.","Organic & biomolecular chemistry","2022","20","4","796","800","10.1039/d1ob02246f","","","0.71073","MoKα","","0.0626","0.0523","","","0.1271","0.1353","","","","","","1.068","","","","has coordinates,has disorder","272767","2022-02-04","20:02:01",""
"7158458","9.7153","0.0009","14.2963","0.0012","24.322","0.002","90","","90","","90","","3378.2","0.5","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3R,3'R,4'S,5'S)-1,1''-Dibenzyl-7-bromo-4'-(3-methyl-4-nitroisoxazol-5-yl)-5'-(trifluoromethyl)dispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-2,2''-dione","","- C37 H27 Br F3 N5 O5 -","- C37 H27 Br F3 N5 O5 -","- C148 H108 Br4 F12 N20 O20 -","4","1","","Li, Tong-Hao; Du, Da-Ming","Asymmetric synthesis of isoxazole and trifluoromethyl-containing 3,2'-pyrrolidinyl dispirooxindoles <i>via</i> squaramide-catalysed [3 + 2] cycloaddition reactions.","Organic & biomolecular chemistry","2022","20","4","817","823","10.1039/d1ob02350k","","","1.34139","GaKα","","0.049","0.0417","","","0.1028","0.1078","","","","","","1.051","","","","has coordinates","272766","2022-02-04","20:01:56",""
"7158459","14.1584","0.0016","4.6034","0.0005","14.9562","0.0016","90","","113.249","0.005","90","","895.64","0.17","100","1","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0964","0.0851","","","0.2271","0.237","","","","","","1.064","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158460","4.5507","0.001","17.161","0.004","48.011","0.01","90","","90","","90","","3749.4","1.4","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O8 -","- C21 H22 O8 -","- C168 H176 O64 -","8","2","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0659","0.0461","","","0.0957","0.1113","","","","","","1.058","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158461","14.126","0.004","4.5761","0.0013","14.955","0.005","90","","113.28","0.012","90","","888","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0572","0.0435","","","0.105","0.1169","","","","","","1.097","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158462","8.5427","0.0004","15.2194","0.0008","14.1219","0.0007","90","","91.418","0.002","90","","1835.49","0.16","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","2","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0392","0.0351","","","0.0896","0.097","","","","","","1.094","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158463","4.5505","0.0002","17.1723","0.0008","48.042","0.002","90","","90","","90","","3754.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H44 O16 -","- C42 H44 O16 -","- C168 H176 O64 -","4","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0484","0.0394","","","0.0921","0.0981","","","","","","1.072","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158464","13.66489","0.00013","15.50084","0.00013","8.21733","0.00008","90","","102.58","0.0009","90","","1698.79","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","x-ray","1.54184","CuKα","","0.0353","0.0332","","","0.0885","0.09","","","","","","1.061","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158465","8.6051","0.0004","14.1919","0.0006","15.2989","0.0006","90","","90","","90","","1868.34","0.14","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34139","GaKα","","0.0303","0.0292","","","0.078","0.0793","","","","","","1.048","","","","has coordinates,has disorder","272781","2022-02-04","20:03:42",""
"7158466","4.53147","0.0001","14.6487","0.0002","28.5217","0.0004","85.4988","0.0012","85.95","0.0014","88.2776","0.0015","1882.15","0.06","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O8 -","- C21 H22 O8 -","- C84 H88 O32 -","4","2","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","x-ray","1.54184","CuKα","","0.0634","0.0564","","","0.1549","0.1604","","","","","","1.065","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158467","14.793","0.003","17.86","0.003","26.56","0.005","90","","90","","90","","7017","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.8 H99.2 N12 O33.4 S6.2 -","- C48.7596 H99.0384 N12 O33.4796 S6.24 -","- C195.038 H396.154 N48 O133.918 S24.96 -","4","1","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","","0.71073","MoKα","","0.1557","0.0792","","","0.1533","0.185","","","","","","1.001","","","","has coordinates,has disorder","272757","2022-02-04","20:00:28",""
"7158468","12.441","0.002","12.772","0.002","20.693","0.004","75.36","0.02","79.83","0.02","89.7","0.02","3128.6","1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H94 Cl8 N12 O9 -","- C48 H91.4 Cl8 N12 O8.96195 -","- C96 H182.8 Cl16 N24 O17.9239 -","2","2","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","x-ray","0.71073","MoKα","","0.0657","0.0582","","","0.1547","0.1597","","","","","","1.036","","","","has coordinates,has disorder","272757","2022-02-04","20:00:29",""
"7158469","13.082","0.002","13.444","0.002","20.564","0.003","105.35","0.02","108.36","0.02","93.77","0.02","3265.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H98.6 Cl8 N12 O11.3 -","- C48 H80 Cl8.001 N12 O11.347 -","- C96 H160 Cl16.002 N24 O22.694 -","2","1","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","x-ray","0.71073","MoKα","","0.0706","0.0608","","","0.1643","0.1702","","","","","","1.02","","","","has coordinates,has disorder","272757","2022-02-04","20:00:29",""
"7158470","12.815","0.003","14.444","0.003","16.933","0.005","92.83","0.02","101.95","0.02","90.36","0.02","3062.2","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H90 Cl8 N12 O4 -","- C51 H90 Cl8 N12 O4 -","- C102 H180 Cl16 N24 O8 -","2","1","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","","0.71073","MoKα","","0.0819","0.0562","","","0.1376","0.1536","","","","","","1.004","","","","has coordinates","272757","2022-02-04","20:00:29",""
"7158471","10.3951","0.0005","8.7516","0.0004","14.2044","0.0006","90","","95.671","0.001","90","","1285.9","0.1","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O3 S -","- C14 H15 N O3 S -","- C56 H60 N4 O12 S4 -","4","1","","Chen, Lu; Wang, Zhichao; Wang, Yangyang; Hao, Liqiang; Xu, Xiaobo; Wu, Gaorong; Ji, Yafei","Rhodium(III)-catalyzed cascade C-H functionalization/annulation of sulfoximines with iodonium ylides for the synthesis of cyclohexanone-1,2-benzothiazines.","Organic & biomolecular chemistry","2022","20","4","887","894","10.1039/d1ob02110a","","","0.71073","MoKα","","0.0365","0.0336","","","0.0879","0.09","","","","","","1.071","","","","has coordinates","272762","2022-02-04","20:00:58",""
"7158472","10.28331","0.00011","15.03","0.0002","33.3759","0.0005","90","","90","","90","","5158.52","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H78 N2 O11 -","- C51 H78 N2 O11 -","- C204 H312 N8 O44 -","4","1","","Li, Bo; Wu, Jun; Tang, Lei; Lian, Xu; Li, Zhongwen; Duan, Wenfang; Qin, Tong; Zhao, Xintong; Hu, Yuhua; Zhang, Chi; Li, Tianlei; Hao, Jie; Zhang, Wenxuan; Zhang, Jihong; Wu, Song","Synthesis and anti-tumor activity evaluation of salinomycin C20-<i>O</i>-alkyl/benzyl oxime derivatives.","Organic & biomolecular chemistry","2022","20","4","870","876","10.1039/d1ob02292j","","x-ray","1.54184","CuKα","","0.037","0.0327","","","0.0834","0.0873","","","","","","1.032","","","","has coordinates","272768","2022-02-04","20:02:07",""
"7158473","9.198","0.005","10.355","0.007","12.174","0.007","69.365","0.016","76.44","0.02","64.56","0.02","975.2","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O4 Se -","- C20 H21 N O4 Se -","- C40 H42 N2 O8 Se2 -","2","1","","Haider, Victoria; Zebrowski, Paul; Michalke, Jessica; Monkowius, Uwe; Waser, Mario","Enantioselective organocatalytic syntheses of α-selenated α- and β-amino acid derivatives.","Organic & biomolecular chemistry","2022","20","4","824","830","10.1039/d1ob02235k","","x-ray","0.71073","MoKα","","0.0301","0.0265","","","0.071","0.0745","","","","","","1.215","","","","has coordinates","272765","2022-02-04","20:01:16",""
"7158474","22.3463","0.0008","7.5222","0.0003","22.4194","0.0011","90","","102.133","0.004","90","","3684.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H29 N O Si -","- C18 H29 N O Si -","- C144 H232 N8 O8 Si8 -","8","1","","Xue, Yingying; Guo, Zhuangzhuang; Chen, Xiaoyu; Li, Jingya; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng","Copper-Promoted Difunctionalization of Unactivated Alkenes with Silanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02318G","","","1.54184","CuKα","","0.0606","0.047","","","0.1276","0.1415","","","","","","1.037","","","","has coordinates","271807","2022-01-05","02:02:19",""
"7158475","11.493","0.004","14.034","0.006","14.667","0.006","90","","102.249","0.01","90","","2311.8","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 6-oxo-1-phenyl-3-(p-tolyl)-6H-pyrido[1,2-a]quinoline-5-carboxylate","","- C29 H23 N O3 -","- C29 H23 N O3 -","- C116 H92 N4 O12 -","4","1","","Gummidi, Lalitha; Muddassar, Altaf; Sharma, Gangavaram V. M.; Murugesh, V.; Suresh, Surisetti","Tandem aza-Michael addition-vinylogous aldol condensation: synthesis of <i>N</i>-bridged pyridine fused quinolones.","Organic & biomolecular chemistry","2022","20","4","773","777","10.1039/d1ob02087k","","","0.71073","MoKα","","0.1146","0.0541","","","0.1282","0.1627","","","","","","1.013","","","","has coordinates,has disorder","272761","2022-02-04","20:00:53",""
"7158476","9.8016","0.0002","10.2699","0.0002","18.6233","0.0004","90","","101.881","0.001","90","","1834.49","0.07","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 -","- C25 H20 N2 -","- C100 H80 N8 -","4","1","","Hao, Di; Yang, Zhen; Liu, Yali; Li, Yang; Li, Chuntian; Gu, Yanlong; Vaccaro, Luigi; Liu, Jichang; Liu, Ping","Pd-Catalyzed direct C-H arylation of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2022","20","4","847","851","10.1039/d1ob02248b","","","0.71073","MoKα","","0.0615","0.0492","","","0.1165","0.1239","","","","","","1.069","","","","has coordinates","272763","2022-02-04","20:01:05",""
"7158477","7.5089","0.0002","15.5665","0.0003","18.8172","0.0004","86.384","0.001","78.938","0.001","86.402","0.001","2151.44","0.08","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 S -","- C29 H22 N2 S -","- C116 H88 N8 S4 -","4","2","","Hao, Di; Yang, Zhen; Liu, Yali; Li, Yang; Li, Chuntian; Gu, Yanlong; Vaccaro, Luigi; Liu, Jichang; Liu, Ping","Pd-Catalyzed direct C-H arylation of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2022","20","4","847","851","10.1039/d1ob02248b","","","1.54178","CuKα","","0.0826","0.0561","","","0.1316","0.1508","","","","","","1.031","","","","has coordinates","272763","2022-02-04","20:01:05",""
"7158478","7.0437","0.0002","9.699","0.0003","25.3194","0.0007","90","","93.25","0.002","90","","1726.96","0.09","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","1","","Hao, Di; Yang, Zhen; Liu, Yali; Li, Yang; Li, Chuntian; Gu, Yanlong; Vaccaro, Luigi; Liu, Jichang; Liu, Ping","Pd-Catalyzed direct C-H arylation of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2022","20","4","847","851","10.1039/d1ob02248b","","","1.54178","CuKα","","0.056","0.0438","","","0.1049","0.1129","","","","","","1.067","","","","has coordinates","272763","2022-02-04","20:01:05",""
"7158479","5.3533","0.0004","16.8012","0.0008","17.7277","0.0012","90","","90","","90","","1594.46","0.18","298","0.2","298","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 O2 Pd -","- C20 H14 N2 O2 Pd -","- C80 H56 N8 O8 Pd4 -","4","1","","Mahato, Shreya; Rawal, Parveen; Devadkar, Ajitrao Kisan; Joshi, Mayank; Roy Choudhury, Angshuman; Biswas, Bhaskar; Gupta, Puneet; Panda, Tarun K.","Hydroboration and reductive amination of ketones and aldehydes with HBpin by a bench stable Pd(II)-catalyst.","Organic & biomolecular chemistry","2022","20","5","1103","1111","10.1039/d1ob02339j","","x-ray","0.71073","MoKα","","0.1902","0.0698","","","0.1318","0.1852","","","","","","0.971","","","","has coordinates","272756","2022-02-04","20:00:16",""
"7158480","9.8554","0.0002","15.7898","0.0004","26.9608","0.0006","90","","90","","90","","4195.5","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O4 S -","- C22 H36 O4 S -","- C176 H288 O32 S8 -","8","2","","Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva","On the mechanism of the dyotropic expansion of hydrindanes into decalins.","Organic & biomolecular chemistry","2022","20","5","1073","1079","10.1039/d1ob02150h","","","1.54178","CuKα","","0.0526","0.0489","","","0.1318","0.139","","","","","","1.062","","","","has coordinates","272755","2022-02-04","19:59:48",""
"7158481","7.2736","0.0009","19.217","0.002","19.825","0.002","90","","91.946","0.005","90","","2769.5","0.5","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H42 O4 S Si -","- C28 H42 O4 S Si -","- C112 H168 O16 S4 Si4 -","4","2","","Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva","On the mechanism of the dyotropic expansion of hydrindanes into decalins.","Organic & biomolecular chemistry","2022","20","5","1073","1079","10.1039/d1ob02150h","","","0.71073","MoKα","","0.0841","0.0711","","","0.1814","0.1919","","","","","","1.099","","","","has coordinates,has disorder","272755","2022-02-04","19:59:51",""
"7158482","9.9546","0.0009","11.138","0.0011","24.037","0.002","93.903","0.004","95.575","0.004","90.203","0.004","2646.2","0.4","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C25 H42 O4 S Si -","- C25 H42 O4 S Si -","- C100 H168 O16 S4 Si4 -","4","4","","Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva","On the mechanism of the dyotropic expansion of hydrindanes into decalins.","Organic & biomolecular chemistry","2022","20","5","1073","1079","10.1039/d1ob02150h","","","0.71073","MoKα","","0.0455","0.0428","","","0.0988","0.1002","","","","","","1.115","","","","has coordinates","272755","2022-02-04","20:00:02",""
"7158483","8.1439","0.001","9.6588","0.0008","11.584","0.0013","92.542","0.008","98.729","0.01","97.055","0.009","891.98","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-acetyl-2-methyl-6-oxo-N,1-diphenyl-1,6-dihydropyridine-3-carboxamide","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C42 H36 N4 O6 -","2","1","","Xu, Lichun; Ma, Zhongxiao; Hu, Xi; Zhang, Xin; Gao, Shulin; Liang, Deqiang; Wang, Baoling; Li, Weili; Li, Yanni","Electroreductive synthesis of polyfunctionalized pyridin-2-ones from acetoacetanilides and carbon disulfide with oxygen evolution.","Organic & biomolecular chemistry","2022","20","5","1013","1018","10.1039/d1ob02379a","","x-ray","1.54184","CuKα","","0.0516","0.0427","","","0.1144","0.1247","","","","","","1.031","","","","has coordinates","272753","2022-02-04","19:59:33",""
"7158484","6.55","0.017","12.76","0.03","13.5","0.03","97.07","0.03","97.8","0.03","98.64","0.03","1093","5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N3 O -","- C28 H25 N3 O -","- C56 H50 N6 O2 -","2","1","","Dhara, Samiran; Ghosh, Subhadeep; Das, Asish R.","An iron-catalyzed domino reaction of donor-acceptor cyclopropanes: a diastereoselective approach towards diversely functionalized pyrrolo-quinazolines.","Organic & biomolecular chemistry","2022","20","7","1415","1424","10.1039/d1ob02215f","","","0.71073","MoKα","","0.1615","0.0878","","","0.2003","0.2363","","","","","","0.875","","","","has coordinates","273425","2022-03-04","22:24:36",""
"7158485","10.3073","0.0018","18.584","0.003","14.516","0.002","90","","105.319","0.004","90","","2681.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Cl8 N4 O2 Zn2 -","- C52 H52 Cl8 N4 O2 Zn2 -","- C104 H104 Cl16 N8 O4 Zn4 -","2","0.5","","Wang, Qin; Zhang, Kun; Lin, Rui-Lian; Sun, Wen-Qi; Ye, Ming-Fu; Xiao, Xin; Liu, Jing-Xin","A light-responsive molecular switch based on cucurbit[7]uril and 1,1'-bis(benzyl)-4-[2-(4-pyridyl)-vinyl]-pyridinium dibromide displaying white light emission.","Organic & biomolecular chemistry","2022","20","6","1253","1259","10.1039/d1ob02420e","","","0.71073","MoKα","","0.0945","0.0457","","","0.089","0.1079","","","","","","1.005","","","","has coordinates","273421","2022-03-04","22:24:13",""
"7158486","5.0066","0.0004","12.2115","0.0007","18.0086","0.0015","90","","91.708","0.009","90","","1100.52","0.14","113.6","0.1","113.6","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl N4 S -","- C9 H11 Cl N4 S -","- C36 H44 Cl4 N16 S4 -","4","1","","Li, Xinjie; Qi, Peng; Du, Hongguang","Cross dehydrogenation coupling reaction of purine derivatives with thioethers.","Organic & biomolecular chemistry","2022","20","5","1058","1066","10.1039/d1ob02353e","","x-ray","0.71073","MoKα","","0.0424","0.0353","","","0.077","0.0822","","","","","","1.053","","","","has coordinates","272759","2022-02-04","20:00:42",""
"7158487","22.3405","0.0002","9.0682","0.0001","13.9052","0.0002","90","","127.433","0.001","90","","2236.9","0.05","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H34 O5 -","- C25 H34 O5 -","- C100 H136 O20 -","4","1","","Shi, Zhengyi; Hu, Hong; Guo, Yi; Duan, Yulin; Zhang, Yeting; Tao, Bo; Bu, Pengfei; Sun, Weiguang; Qi, Changxing; Zhang, Yonghui","Discovery of 13,15-<i>nor</i>-polycyclic polyprenylated acylphloroglucinols from <i>Hypericum longistylum</i> with anti-inflammatory activity.","Organic & biomolecular chemistry","2022","20","6","1284","1291","10.1039/d1ob02107a","","","1.54178","CuKα","","0.0631","0.0623","","","0.1692","0.1704","","","","","","1.015","","","","has coordinates","273416","2022-03-04","22:23:43",""
"7158488","9.3578","0.0003","11.4643","0.0003","23.4068","0.0007","90","","90","","90","","2511.1","0.13","157","2","157","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","1","","Shi, Zhengyi; Hu, Hong; Guo, Yi; Duan, Yulin; Zhang, Yeting; Tao, Bo; Bu, Pengfei; Sun, Weiguang; Qi, Changxing; Zhang, Yonghui","Discovery of 13,15-<i>nor</i>-polycyclic polyprenylated acylphloroglucinols from <i>Hypericum longistylum</i> with anti-inflammatory activity.","Organic & biomolecular chemistry","2022","20","6","1284","1291","10.1039/d1ob02107a","","","1.54178","CuKα","","0.0486","0.0481","","","0.1319","0.1324","","","","","","1.048","","","","has coordinates","273416","2022-03-04","22:23:43",""
"7158489","8.0295","0.0005","8.2401","0.0007","13.3944","0.001","99.581","0.002","107.21","0.002","100.42","0.002","809.44","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C40 H26 Br2 N4 O2 -","2","1","","Rajput, Shruti; Kaur, Ramandeep; Jain, Nidhi","Pd and photoredox dual catalysis assisted decarboxylative <i>ortho</i>-benzoylation of <i>N</i>-phenyl-7-azaindoles.","Organic & biomolecular chemistry","2022","20","7","1453","1461","10.1039/d1ob02338a","","","0.71073","MoKα","","0.0694","0.0545","","","0.1433","0.1564","","","","","","1.077","","","","has coordinates","273423","2022-03-04","22:24:23",""
"7158490","7.8605","0.0005","11.7131","0.001","13.7225","0.0007","90","","94.58","0.005","90","","1259.41","0.15","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H22 F2 O4 -","- C31 H22 F2 O4 -","- C62 H44 F4 O8 -","2","1","","Kudale, Vishal Suresh; Zheng, Sheng; Huang, Sheng-Hua; Chang, Yu-Lun; Wang, Jeh-Jeng","A metal-free strategy for the cross-dehydrogenative coupling of 1,3-dicarbonyl compounds with 2-methoxyethanol.","Organic & biomolecular chemistry","2022","20","6","1226","1230","10.1039/d1ob02290c","","x-ray","0.71073","MoKα","","0.0627","0.0534","","","0.1404","0.1473","","","","","","1.011","","","","has coordinates","273420","2022-03-04","22:24:07",""
"7158491","5.9854","0.0001","20.6879","0.0004","18.0213","0.0003","90","","95.78","0.002","90","","2220.15","0.07","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 N O2 -","- C31 H21 N O2 -","- C124 H84 N4 O8 -","4","1","","Kudale, Vishal Suresh; Zheng, Sheng; Huang, Sheng-Hua; Chang, Yu-Lun; Wang, Jeh-Jeng","A metal-free strategy for the cross-dehydrogenative coupling of 1,3-dicarbonyl compounds with 2-methoxyethanol.","Organic & biomolecular chemistry","2022","20","6","1226","1230","10.1039/d1ob02290c","","x-ray","0.71073","MoKα","","0.0425","0.0358","","","0.0895","0.0935","","","","","","1.067","","","","has coordinates","273420","2022-03-04","22:24:08",""
"7158492","12.0831","0.0002","9.0813","0.0002","18.423","0.0003","90","","102.333","0.002","90","","1974.91","0.06","109","2","109","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N4 O2 -","- C23 H22 N4 O2 -","- C92 H88 N16 O8 -","4","1","","Liyu, Jessica; Kim, Shi-Wei; Söhnel, Tilo; Sperry, Jonathan","Progress toward a biomimetic synthesis of pegaharmaline A.","Organic & biomolecular chemistry","2022","20","6","1275","1283","10.1039/d1ob02372a","","x-ray","1.54184","CuKα","","0.0418","0.0366","","","0.0941","0.0974","","","","","","1.067","","","","has coordinates","273419","2022-03-04","22:24:01",""
"7158493","15.7052","0.0008","5.036","0.0002","13.3544","0.0006","90","","90.211","0.004","90","","1056.21","0.08","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Liyu, Jessica; Kim, Shi-Wei; Söhnel, Tilo; Sperry, Jonathan","Progress toward a biomimetic synthesis of pegaharmaline A.","Organic & biomolecular chemistry","2022","20","6","1275","1283","10.1039/d1ob02372a","","x-ray","1.54184","CuKα","","0.0565","0.0544","","","0.1524","0.1545","","","","","","1.071","","","","has coordinates","273419","2022-03-04","22:24:01",""
"7158494","13.5402","0.0003","7.8769","0.0002","16.4206","0.0004","90","","105.285","0.002","90","","1689.38","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O -","- C21 H20 N4 O -","- C84 H80 N16 O4 -","4","1","","Liyu, Jessica; Kim, Shi-Wei; Söhnel, Tilo; Sperry, Jonathan","Progress toward a biomimetic synthesis of pegaharmaline A.","Organic & biomolecular chemistry","2022","20","6","1275","1283","10.1039/d1ob02372a","","x-ray","1.54184","CuKα","","0.0473","0.0447","","","0.1213","0.1244","","","","","","1.056","","","","has coordinates","273419","2022-03-04","22:24:01",""
"7158495","13.4032","0.0003","13.4811","0.0006","19.0017","0.0003","97.062","0.002","100.428","0.0018","115.9","0.003","2957.3","0.18","100.02","0.14","100.02","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C45 H39 Cl3 I4 N14 O4 -","- C45 H39 Cl3 I4 N14 O4 -","- C90 H78 Cl6 I8 N28 O8 -","2","1","","Zhao, Tian; Lynch, Vincent M.; Sessler, Jonathan L.","Tetradentate halogen bonding macrocyclic anion receptor inspired by the ""Texas-sized"" molecular box.","Organic & biomolecular chemistry","2022","20","5","980","983","10.1039/d1ob02381k","","x-ray","1.54184","CuKα","","0.0788","0.072","","","0.2102","0.225","","","","","","0.908","","","","has coordinates,has disorder","272758","2022-02-04","20:00:37",""
"7158496","9.8332","0.0017","13.452","0.002","16.081","0.003","90","","100.629","0.003","90","","2090.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O2 -","- C26 H19 N5 O2 -","- C104 H76 N20 O8 -","4","1","","Zhang, Xin-Ke; Miao, Xiao-Yu; Zhou, Yu; Wang, Yu-Mei; Song, Ying-Chun; Liu, Hang; Xiong, Yi-Lu; Li, Ling-Yu; Wu, An-Xin; Zhu, Yan-Ping","Iodine-catalyzed oxidative annulation: facile synthesis of pyrazolooxepinopyrazolones <i>via</i> methyl azaarene sp<sup>3</sup> C-H functionalization.","Organic & biomolecular chemistry","2022","20","6","1236","1242","10.1039/d1ob02436a","","","0.71073","MoKα","","0.0643","0.0457","","","0.1333","0.1509","","","","","","1.01","","","","has coordinates","273422","2022-03-04","22:24:18",""
"7158497","8.5358","0.0004","9.3335","0.0003","20.6119","0.0009","95.328","0.003","91.723","0.004","90.573","0.003","1634.16","0.12","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","2","","Wang, Chunlian; Ji, Xiaochen; Deng, Guo-Jun; Huang, Huawen","Copper-catalyzed three-component <i>N</i>-alkylation of quinazolinones and azoles.","Organic & biomolecular chemistry","2022","20","6","1200","1204","10.1039/d1ob02333k","","x-ray","1.54184","CuKα","","0.0629","0.0461","","","0.1117","0.1219","","","","","","1.037","","","","has coordinates","273418","2022-03-04","22:23:55",""
"7158498","5.7949","0.0004","15.4144","0.0012","21.1109","0.0017","90","","90","","90","","1885.7","0.2","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 F2 O S -","- C24 H18 F2 O S -","- C96 H72 F8 O4 S4 -","4","1","","Cai, Yingying; Liu, Chi; Liu, Guangying; Li, Chengxi; Jiang, Huanfeng; Zhu, Chuanle","Access to α,α-difluoro(arylthio)methyl oxetanes from α,α-difluoro(arylthio)methyl ketones and trimethylsulfoxonium halides: scope, mechanism and applications.","Organic & biomolecular chemistry","2022","20","7","1500","1509","10.1039/d1ob02268g","","","0.71073","MoKα","","0.0777","0.0532","","","0.1108","0.1295","","","","","","1.095","","","","has coordinates","273426","2022-03-04","22:24:41",""
"7158499","31.87","0.03","5.876","0.008","8.328","0.008","90","","90","","90","","1560","3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(Z)-4-fluoro-2-isobutyl-5-phtalimidopent-3-en-1-oic acid","","- C17 H18 F N O4 -","- C17 H18 F N O4 -","- C68 H72 F4 N4 O16 -","4","1","","Larnaud, Florent; Calata, Charlène; Prunier, Anaïs; Le Guen, Clothilde; Legay, Rémi; Pfund, Emmanuel; Lequeux, Thierry","Convergent access to mono-fluoroalkene-based peptidomimetics.","Organic & biomolecular chemistry","2022","20","6","1205","1218","10.1039/d1ob02441h","","","0.71073","MoKα","","0.0358","0.0323","","","0.0767","0.0781","","","","","","1.037","","","","has coordinates","273417","2022-03-04","22:23:49",""
"7158500","11.0002","0.0005","12.8129","0.0005","14.2811","0.0006","93.8303","0.0014","97.7328","0.0014","110.112","0.0013","1859.03","0.14","297","2","297","2","","","","","","","","7","P -1","-P 1","2","SCM2105","","","- C36 H52 Cl3 N2 O P Pd -","- C36 H52 Cl3 N2 O P Pd -","- C72 H104 Cl6 N4 O2 P2 Pd2 -","2","1","","Ng, Shan Shan; Chen, Zicong; Yuen, On Ying; So, Chau Ming","An indole-amide-based phosphine ligand enabling a general palladium-catalyzed sterically hindered Suzuki-Miyaura cross-coupling reaction.","Organic & biomolecular chemistry","2022","20","7","1373","1378","10.1039/d1ob02294f","","","0.71073","MoKα","","0.0275","0.0256","","","0.0647","0.0663","","","","","","1.05","","","","has coordinates","273428","2022-03-04","22:24:52",""
"7158501","7.6358","0.0009","9.0784","0.0011","9.7663","0.0013","109.932","0.003","107.117","0.003","92.339","0.003","600.71","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","deoxytoddaquinoline","6-methyl-6,7-dihydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]pyrido[2,3-e]azepine","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","","McFadden, Timothy Patrick; Nwachukwu, Chideraa Iheanyi; Roberts, Andrew George","An amine template strategy to construct successive C-C bonds: synthesis of benzo[<i>h</i>]quinolines by a deaminative ring contraction cascade.","Organic & biomolecular chemistry","2022","20","7","1379","1385","10.1039/d1ob02245h","","","0.71073","MoKα","","0.0625","0.0445","","","0.113","0.1244","","","","","","1.022","","","","has coordinates","273427","2022-03-04","22:24:47",""
"7158502","9.9992","0.0005","11.29","0.0005","12.2822","0.0006","90","","105.733","0.002","90","","1334.6","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 6-methyl-6,7-dihydro-5H-benzo[c]pyrido[2,3-e]azepine-10-carboxylate","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","McFadden, Timothy Patrick; Nwachukwu, Chideraa Iheanyi; Roberts, Andrew George","An amine template strategy to construct successive C-C bonds: synthesis of benzo[<i>h</i>]quinolines by a deaminative ring contraction cascade.","Organic & biomolecular chemistry","2022","20","7","1379","1385","10.1039/d1ob02245h","","","1.54178","CuKα","","0.034","0.0325","","","0.0817","0.083","","","","","","1.043","","","","has coordinates","273427","2022-03-04","22:24:47",""
"7158503","8.2614","0.0003","13.2824","0.0005","8.9573","0.0003","90","","110.019","0.001","90","","923.51","0.06","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C42 H46 N2 O6 -","2","1","","Mao, Guoliang; Meng, Chenxiang; Cheng, Fangyuan; Wu, Wenbo; Gao, Yuan-Yuan; Li, Gao-Wei; Liu, Lantao","A palladium-catalyzed sequential Heck coupling/C-C bond activation approach to oxindoles with all-carbon-quaternary centers.","Organic & biomolecular chemistry","2022","20","8","1642","1646","10.1039/d1ob02440j","","","0.71073","MoKα","","0.046","0.0378","","","0.0959","0.1035","","","","","","1.032","","","","has coordinates","273414","2022-03-04","22:23:17",""
"7158504","32.7473","0.0004","32.7473","0.0004","9.7272","0.0001","90","","90","","120","","9033.78","0.18","170","2","170.04","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C22 H23 F3 N2 O -","- C22 H23 F3 N2 O -","- C396 H414 F54 N36 O18 -","18","1","","Ma, Wei-Wei; Yang, Chao; Xie, Qiang; Xu, Yun-He","Dienylation of <i>N</i>-benzoylhydrazones with CF<sub>3</sub>-substituted homoallenylboronates in water.","Organic & biomolecular chemistry","2022","20","7","1386","1390","10.1039/d1ob02335g","","","1.34139","GaKα","","0.0409","0.0336","","","0.0729","0.0771","","","","","","1.106","","","","has coordinates","273429","2022-03-04","22:24:59",""
"7158505","9.4321","0.0003","14.6668","0.0005","17.7584","0.0006","90","","90","","90","","2456.67","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O2 S -","- C27 H30 N2 O2 S -","- C108 H120 N8 O8 S4 -","4","1","","Sun, Peng; Jia, Zi-Hao; Tang, Li; Zheng, Hao; Li, Zhang-Rui; Chen, Ling-Yan; Li, Ya","Enantioselective synthesis of 2-indolyl methanamine derivatives through disulfonimide-catalyzed Friedel-Crafts C2-alkylation of 3-substituted indoles with imines.","Organic & biomolecular chemistry","2022","20","9","1916","1925","10.1039/d1ob02281d","","","0.71073","MoKα","","0.0393","0.0338","","","0.0831","0.0871","","","","","","1.065","","","","has coordinates","273434","2022-03-04","22:25:58",""
"7158506","30.736","0.008","9.788","0.002","32.682","0.008","90","","107.241","0.003","90","","9390","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H18 N2 O5 S2 -","- C81 H18 N2 O5 S2 -","- C648 H144 N16 O40 S16 -","8","1","","Hashikawa, Yoshifumi; Murata, Yasujiro","Hydrogenation of cage-opened C<sub>60</sub> derivatives mediated by frustrated Lewis pairs.","Organic & biomolecular chemistry","2022","20","5","1000","1003","10.1039/d1ob02316k","","","0.71073","MoKα","","0.198","0.1154","","","0.2766","0.297","","","","","","1.084","","","","has coordinates","272441","2022-02-03","01:30:52",""
"7158507","12.0239","0.001","14.1732","0.0012","17.0536","0.0015","107.498","0.008","103.65","0.007","107.038","0.008","2477.1","0.5","200","2","200.15","","","","","","","","","3","P -1","-P 1","2","","2,6-dimesityl-1-methyl-4-phenyl-1,4-dihydropyridine","","- C30 H33 N -","- C30 H33 N -","- C120 H132 N4 -","4","2","","Hirao, Yasukazu; Eto, Hajime; Teraoka, Mitsuru; Kubo, Takashi","A strong hydride donating, acid stable and reusable 1,4-dihydropyridine for selective aldimine and aldehyde reductions.","Organic & biomolecular chemistry","2022","20","8","1671","1679","10.1039/d1ob02358f","","","0.71075","MoKα","","0.1359","0.0688","","","0.1544","0.1831","","","","","","1.019","","","","has coordinates","273413","2022-03-04","22:23:11",""
"7158508","10.1981","0.0007","13.4643","0.0005","11.1726","0.0008","90","","116.517","0.009","90","","1372.73","0.18","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 O2 S -","- C14 H17 N3 O2 S -","- C56 H68 N12 O8 S4 -","4","1","","Chen, Jiewen; Tian, Jinhong; Wen, Kangmei; Gao, Qiwen; Shi, Jie; Yao, Xingang; Wu, Ting; Tang, Xiaodong","A new method for C(sp<sup>2</sup>)-H sulfonylmethylation with glyoxylic acid and sodium sulfinates.","Organic & biomolecular chemistry","2022","20","8","1652","1655","10.1039/d2ob00029f","","x-ray","0.71073","MoKα","","0.0556","0.0477","","","0.1263","0.1336","","","","","","1.068","","","","has coordinates","273409","2022-03-04","22:22:41",""
"7158509","10.8331","0.0004","24.5894","0.001","13.8643","0.0005","90","","107.06","0.001","90","","3530.7","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H45 N O3 Si -","- C41 H45 N O3 Si -","- C164 H180 N4 O12 Si4 -","4","2","","He, Xuefeng; Buchotte, Marie; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","A case study of the MAC (masked acyl cyanide) oxyhomologation of <i>N</i>,<i>N</i>-dibenzyl-L-phenylalaninal with <i>anti</i> diastereoselectivity: preparation of (2<i>S</i>,3<i>S</i>)-allophenylnorstatin esters.","Organic & biomolecular chemistry","2022","20","8","1769","1781","10.1039/d1ob02411f","","x-ray","1.54178","CuKα","","0.0318","0.0308","","","0.0787","0.0793","","","","","","1.024","","","","has coordinates","273415","2022-03-04","22:23:24",""
"7158510","9.8259","0.0003","9.8256","0.0002","10.8672","0.0003","97.864","0.002","108.797","0.002","103.162","0.002","941.65","0.05","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C48 H42 N2 O4 -","2","1","","Zhang, Yaohong; Luo, Mengqiang; Zhang, Yichan; Cheng, Kai; Li, Yong; Qi, Chenze; Shen, Runpu; Wang, Hai","CuCl<sub>2</sub>·2H<sub>2</sub>O/TBHP mediated synthesis of β-enaminones <i>via</i> coupling reaction of vinyl azides with aldehydes.","Organic & biomolecular chemistry","2022","20","9","1952","1957","10.1039/d1ob02479e","","","1.54178","CuKα","","0.1044","0.0597","","","0.2185","0.2913","","","","","","1.383","","","","has coordinates","273431","2022-03-04","22:25:26",""
"7158511","19.5352","0.0005","14.0585","0.0004","13.9778","0.0005","90","","90","","90","","3838.8","0.2","295.48","0.1","295.48","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H14 Br N3 O -","- C20 H14 Br N3 O -","- C160 H112 Br8 N24 O8 -","8","1","","Wang, Wang; Zou, Pei-Sen; Pang, Li; Lei, Yao; Huang, Zi-Yi; Chen, Nan-Ying; Mo, Dong-Liang; Pan, Cheng-Xue; Su, Gui-Fa","Synthesis of spiroindolenine-3,3'-pyrrolo[2,1-<i>b</i>]quinazolinones through gold(I)-catalyzed dearomative cyclization of <i>N</i>-alkynyl quinazolinone-tethered indoles.","Organic & biomolecular chemistry","2022","20","10","2069","2074","10.1039/d1ob02492b","","x-ray","1.54184","CuKα","","0.0659","0.0606","","","0.1691","0.1719","","","","","","1.123","","","","has coordinates","275049","2022-05-05","20:52:51",""
"7158512","8.25955","0.00008","10.43795","0.00009","22.5124","0.0002","90","","90","","90","","1940.86","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H19 N O3 S -","- C24 H19 N O3 S -","- C96 H76 N4 O12 S4 -","4","1","","Wan, Qiuling; Xin, Luoting; Zhang, Jian; Huang, Xueliang","Efficient access to 1,3,4-trisubstituted pyrroles <i>via</i> gold-catalysed cycloisomerization of 1,5-diynes.","Organic & biomolecular chemistry","2022","20","8","1647","1651","10.1039/d1ob02393d","","","1.3415","GaKα","","0.0222","0.0221","","","0.0611","0.0611","","","","","","1.048","","","","has coordinates","273410","2022-03-04","22:22:46",""
"7158513","7.1439","0.0014","10.734","0.002","14.451","0.003","72.259","0.009","81.41","0.009","72.811","0.01","1006.2","0.4","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F N O4 S -","- C24 H18 F N O4 S -","- C48 H36 F2 N2 O8 S2 -","2","1","","Suleman, Muhammad; Qi, Minghui; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Rh(III)-Catalyzed C-H bond activation/annulation reactions of arylacyl ammonium salts with 4-diazoisochroman-3-imines and 4-diazoisoquinolin-3-ones.","Organic & biomolecular chemistry","2022","20","9","1900","1906","10.1039/d1ob02405a","","","0.71073","MoKα","","0.0337","0.0322","","","0.0858","0.0871","","","","","","1.043","","","","has coordinates","273430","2022-03-04","22:25:06",""
"7158514","11.849","0.004","8.586","0.003","12.73","0.005","90","","94.872","0.014","90","","1290.4","0.8","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H12 O3 -","- C17 H12 O3 -","- C68 H48 O12 -","4","2","","Suleman, Muhammad; Qi, Minghui; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Rh(III)-Catalyzed C-H bond activation/annulation reactions of arylacyl ammonium salts with 4-diazoisochroman-3-imines and 4-diazoisoquinolin-3-ones.","Organic & biomolecular chemistry","2022","20","9","1900","1906","10.1039/d1ob02405a","","","0.71073","MoKα","","0.082","0.0791","","","0.1732","0.1783","","","","","","1.086","","","","has coordinates","273430","2022-03-04","22:25:06",""
"7158515","9.4606","0.0005","15.2394","0.0008","13.4503","0.0008","90","","108.685","0.003","90","","1836.98","0.18","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N O2 S -","- C20 H20 Cl N O2 S -","- C80 H80 Cl4 N4 O8 S4 -","4","1","","Wang, Jiateng; Zhuang, Yunqing; Zhao, Jie; Bi, Yusong; Li, Chunyan; Bi, Gehua; Yang, Kai; Huang, Xin; Zhang, Weimin","Copper-catalyzed direct sulfenoamination of saturated ketones <i>via in situ</i> formed enaminones.","Organic & biomolecular chemistry","2022","20","8","1749","1753","10.1039/d1ob02469h","","","1.34139","GaKα","","0.0706","0.0449","","","0.1114","0.1212","","","","","","1.123","","","","has coordinates","273411","2022-03-04","22:22:51",""
"7158516","16.23","0.0009","6.6999","0.0004","19.3383","0.0011","90","","98.587","0.003","90","","2079.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4.6 H3.4 Cl0 N0.6 O0.3 S0.2 -","- C4.6 H3.4 N0.6 O0.3 S0.2 -","- C92 H68 N12 O6 S4 -","20","5","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.0968","0.0811","","","0.2446","0.2644","","","","","","1.195","","","","has coordinates","273432","2022-03-04","22:25:36",""
"7158517","26.8368","0.0006","8.8018","0.0002","12.945","0.0003","90","","90","","90","","3057.77","0.12","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C3.6 H2.8 N0.4 O0.4 S0.2 -","- C3.6 H2.8 N0.4 O0.4 S0.2 -","- C144 H112 N16 O16 S8 -","40","5","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.0535","0.0414","","","0.0959","0.1079","","","","","","1.104","","","","has coordinates","273432","2022-03-04","22:25:37",""
"7158518","12.5624","0.0003","11.3761","0.0002","10.369","0.0002","90","","99.523","0.001","90","","1461.42","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.58 H3.58 N0.21 O0.42 S0.21 -","- C3.57895 H3.57895 N0.210526 O0.421053 S0.210526 -","- C68 H68 N4 O8 S4 -","19","4.75","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.0569","0.0457","","","0.1209","0.1356","","","","","","1.067","","","","has coordinates","273432","2022-03-04","22:25:37",""
"7158519","6.5115","0.0013","10.484","0.002","20.277","0.004","90","","94.411","0.011","90","","1380.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3.56 H3.33 N0.22 O0.44 S0.22 -","- C3.55556 H3.33333 N0.222222 O0.444444 S0.222222 -","- C64 H60 N4 O8 S4 -","18","4.5","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.0619","0.0479","","","0.1027","0.1113","","","","","","1.121","","","","has coordinates","273432","2022-03-04","22:25:37",""
"7158520","8.2185","0.0006","15.6692","0.0011","16.9546","0.0013","90","","92.798","0.004","90","","2180.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3.43 H2.29 N0.29 O0.71 S0.14 -","- C3.42857 H2.28571 N0.285714 O0.714286 S0.142857 -","- C96 H64 N8 O20 S4 -","28","7","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.1065","0.0899","","","0.2813","0.3095","","","","","","1.129","","","","has coordinates","273432","2022-03-04","22:25:37",""
"7158521","22.1917","0.0004","11.30152","0.00018","24.5454","0.0004","90","","96.4591","0.0015","90","","6116.91","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H192 N12 O26 S4 -","- C112 H192 N12 O26 S4 -","- C224 H384 N24 O52 S8 -","2","0.5","","Rutkauskaite, Andzelika; White, Lisa J.; Hilton, Kira L. F.; Picci, Giacomo; Croucher, Lorraine; Caltagirone, Claudia; Hiscock, Jennifer R.","Supramolecular self-associating amphiphiles: determination of molecular self-association properties and calculation of critical micelle concentration using a high-throughput, optical density based methodology","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00066K","","x-ray","1.54184","CuKα","","0.0756","0.0601","","","0.1651","0.1785","","","","","","1.034","","","","has coordinates,has disorder","272943","2022-02-12","01:33:52",""
"7158522","5.457","0.002","10.698","0.005","21.399","0.009","90","","90","","90","","1249.3","0.9","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O5 S -","- C10 H16 O5 S -","- C40 H64 O20 S4 -","4","1","","Chen, Wei-Li; Liu, Zhang-Wei; Wang, Ying-Chun; Ma, Xiao-Pan; Mo, Dong-Liang","MnSO<sub>4</sub>-promoted S-O bond cleavage for synthesizing functionalized sulfonium ylides from activated alkynes and sulfoxides.","Organic & biomolecular chemistry","2022","20","8","1656","1661","10.1039/d1ob02491d","","","0.71073","MoKα","","0.0434","0.0421","","","0.1014","0.1026","","","","","","1.225","","","","has coordinates","273412","2022-03-04","22:22:59",""
"7158523","9.1754","0.0003","19.184","0.0006","13.4902","0.0004","90","","100.044","0.0018","90","","2338.17","0.13","174.1","","174","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N2 O3 -","- C26 H32 N2 O3 -","- C104 H128 N8 O12 -","4","1","","Koványi-Lax, Györgyi; Hargitai, Csilla; Ábrányi-Balogh, Péter; Nagy, Tamás; Tóth, Gábor; Garádi, Zsófia; Németh, Gábor; Pandur, Angéla; Horváth, Simon; Dancsó, András; Simig, Gyula; Volk, Balázs","Experimental and computational study of BF<sub>3</sub>-catalyzed transformations of <i>ortho</i>-(pivaloylaminomethyl)benzaldehydes: an unexpected difference from TFA catalysis.","Organic & biomolecular chemistry","2022","20","9","1933","1944","10.1039/d1ob02308j","","","1.54187","CuKα","","","0.0567","","","","0.0745","","","","","","1.209","","","","has coordinates","273433","2022-03-04","22:25:52",""
"7158524","7.7233","0.0008","23.323","0.002","30.276","0.003","90","","90","","90","","5453.6","0.9","293.1","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N2 O7 -","- C28 H32 N2 O7 -","- C224 H256 N16 O56 -","8","1","","Koványi-Lax, Györgyi; Hargitai, Csilla; Ábrányi-Balogh, Péter; Nagy, Tamás; Tóth, Gábor; Garádi, Zsófia; Németh, Gábor; Pandur, Angéla; Horváth, Simon; Dancsó, András; Simig, Gyula; Volk, Balázs","Experimental and computational study of BF<sub>3</sub>-catalyzed transformations of <i>ortho</i>-(pivaloylaminomethyl)benzaldehydes: an unexpected difference from TFA catalysis.","Organic & biomolecular chemistry","2022","20","9","1933","1944","10.1039/d1ob02308j","","","1.54187","CuKα","","","0.1747","","","","0.2345","","","","","","1.067","","","","has coordinates","273433","2022-03-04","22:25:52",""
"7158525","14.8186","0.0004","6.1275","0.0002","17.0159","0.0004","90","","103.869","0.003","90","","1500.02","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O9 -","- C29 H42 O9 -","- C58 H84 O18 -","2","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0443","0.041","","","0.1022","0.1045","","","","","","1.037","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158526","8.9657","0.0002","13.2198","0.0002","18.8147","0.0003","90","","90","","90","","2230.01","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O5 -","- C24 H36 O5 -","- C96 H144 O20 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0331","0.0299","","","0.0978","0.0989","","","","","","1.296","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158527","9.97027","0.00008","13.27902","0.0001","20.904","0.0002","90","","90","","90","","2767.59","0.04","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O8 -","- C29 H44 O8 -","- C116 H176 O32 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0279","0.0271","","","0.069","0.0697","","","","","","1.044","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158528","7.4781","0.0004","12.81","0.0008","25.4104","0.0014","90","","90","","90","","2434.2","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H46 O6 -","- C25 H46 O6 -","- C100 H184 O24 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0453","0.0427","","","0.1128","0.1149","","","","","","1.095","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158529","20.4236","0.0003","11.2645","0.0002","10.8753","0.0002","90","","90","","90","","2501.99","0.07","120","2","120","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0407","0.0396","","","0.1052","0.1065","","","","","","1.044","","","","has coordinates,has disorder","275055","2022-05-05","20:54:02",""
"7158530","8.31799","0.00011","10.12992","0.00017","28.0673","0.0004","90","","90","","90","","2364.97","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24.19 H42.38 O7 -","- C24.191 H42.382 O7 -","- C96.764 H169.528 O28 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0378","0.0369","","","0.0966","0.0975","","","","","","1.044","","","","has coordinates,has disorder","275055","2022-05-05","20:54:02",""
"7158531","32.26794","0.00016","32.26794","0.00016","6.19392","0.00004","90","","90","","120","","5585.2","0.05","120","2","120","2","","","","","","","","3","P 65","P 65","170","","","","- C25 H42 O4 -","- C25 H42 O4 -","- C150 H252 O24 -","6","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0247","0.0243","","","0.0631","0.0634","","","","","","1.047","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158532","9.0368","0.0004","9.7879","0.0005","12.8089","0.0006","72.001","0.002","83.06","0.002","79.877","0.002","1058.06","0.09","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","P1","","- C22 H15 Br F3 N O2 S Se -","- C22 H15 Br F3 N O2 S Se -","- C44 H30 Br2 F6 N2 O4 S2 Se2 -","2","1","","Wang, Hui; Yao, Yunfei; You, Yi; Huang, Yangjie; Weng, Zhiqiang","An aerobic copper-mediated domino process for the synthesis of 3-(trifluoromethylseleno)indoles.","Organic & biomolecular chemistry","2022","20","10","2115","2120","10.1039/d2ob00063f","","","1.54178","CuKα","","0.0258","0.0248","","","0.0621","0.0627","","","","","","1.09","","","","has coordinates","275050","2022-05-05","20:52:57",""
"7158533","7.3015","0.0001","11.6303","0.0002","28.2622","0.0003","90","","90","","90","","2399.99","0.06","172.97","0.13","172.97","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","2","","Hu, Jiadong; Ji, Kai; Yan, Lihong; Yang, Siyu; Li, Yin; Wen, Wen; Chen, Le; Wu, Xiaohui; Hu, Youcai; Xie, Weiqing","A concise synthesis of herbertenolide","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00041E","","x-ray","1.54184","CuKα","","0.032","0.0311","","","0.0787","0.0793","","","","","","1.044","","","","has coordinates","273046","2022-02-20","01:26:58",""
"7158534","13.208","0.002","9.2277","0.0012","12.4378","0.0019","90","","98.905","0.015","90","","1497.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 O -","- C18 H17 Cl N2 O -","- C72 H68 Cl4 N8 O4 -","4","1","","Suresh, Alati; Lal, Sohan; Namboothiri, Irishi N.","Regio- and stereoselective synthesis of functionalized and fused heterocycles from Morita-Baylis-Hillman adducts of dicyclopentadienone","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02505H","","x-ray","0.71073","MoKα","","0.1487","0.0811","","","0.1545","0.1951","","","","","","1.048","","","","has coordinates","273152","2022-02-25","01:37:23",""
"7158535","6.1438","0.0019","11.089","0.004","22.162","0.007","90","","90.296","0.007","90","","1509.8","0.9","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H88 O12 -","- C76 H88 O12 -","- C76 H88 O12 -","1","0.25","","Suresh, Alati; Lal, Sohan; Namboothiri, Irishi N.","Regio- and stereoselective synthesis of functionalized and fused heterocycles from Morita-Baylis-Hillman adducts of dicyclopentadienone","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02505H","","","0.7107","MoKα","","","0.0501","","","","0.1735","","","","","","1.169","","","","has coordinates","273152","2022-02-25","01:37:24",""
"7158536","9.8183","0.0014","17.594","0.003","25.274","0.004","90","","90","","90","","4365.9","1.2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H23 Cl3 N2 O -","- C25 H23 Cl3 N2 O -","- C200 H184 Cl24 N16 O8 -","8","1","","Suresh, Alati; Lal, Sohan; Namboothiri, Irishi N.","Regio- and stereoselective synthesis of functionalized and fused heterocycles from Morita-Baylis-Hillman adducts of dicyclopentadienone","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02505H","","x-ray","0.71073","MoKα","","0.1671","0.0805","","","0.1427","0.1902","","","","","","1.028","","","","has coordinates","273152","2022-02-25","01:37:24",""
"7158537","11.448","0.0005","15.4161","0.0005","17.7415","0.0007","90","","101.362","0.004","90","","3069.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O S -","- C20 H19 N O S -","- C160 H152 N8 O8 S8 -","8","2","","Suresh, Alati; Lal, Sohan; Namboothiri, Irishi N.","Regio- and stereoselective synthesis of functionalized and fused heterocycles from Morita-Baylis-Hillman adducts of dicyclopentadienone","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02505H","","x-ray","0.71073","MoKα","","0.0608","0.0466","","","0.0996","0.11","","","","","","1.041","","","","has coordinates","273152","2022-02-25","01:37:24",""
"7158538","6.3943","0.0002","18.0605","0.0005","11.5544","0.0004","90","","98.892","0.003","90","","1318.31","0.07","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","1","","Suresh, Alati; Lal, Sohan; Namboothiri, Irishi N.","Regio- and stereoselective synthesis of functionalized and fused heterocycles from Morita-Baylis-Hillman adducts of dicyclopentadienone","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02505H","","x-ray","0.71073","MoKα","","0.0804","0.0473","","","0.1098","0.1266","","","","","","1.0366","","","","has coordinates","273152","2022-02-25","01:37:24",""
"7158539","10.3357","0.0003","7.9301","0.0002","13.6175","0.0004","90","","107.526","0.003","90","","1064.32","0.05","103","1","103","1","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Diethyl 2-(tert-butylcarboxyamino)-2-(1-methylindol-3-yl)propanedioate","","- C21 H28 N2 O6 -","- C21 H28 N2 O6 -","- C42 H56 N4 O12 -","2","1","","Asahara, Haruyasu; Bonkohara, Atsushi; Takagi, Masaya; Iwai, Kento; Ito, Akitaka; Yoshioka, Kotaro; Tani, Shinki; Umezu, Kazuto; Nishiwaki, Nagatoshi","Development of synthetic equivalent of α,α-dicationic acetic acid leading to unnatural amino acid derivatives via tetrafunctionalized methanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02482E","","","0.71073","MoKα","","0.0486","0.0443","","","0.1137","0.1163","","","","","","1.046","","","","has coordinates","273174","2022-02-26","01:34:50",""
"7158540","11.4946","0.0008","11.5682","0.0006","11.825","0.0007","90","","104.642","0.007","90","","1521.33","0.17","103","1","103","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1-Methylindol-3-yl)-2-(pivaloylamino)acetic acid","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C64 H80 N8 O12 -","4","1","","Asahara, Haruyasu; Bonkohara, Atsushi; Takagi, Masaya; Iwai, Kento; Ito, Akitaka; Yoshioka, Kotaro; Tani, Shinki; Umezu, Kazuto; Nishiwaki, Nagatoshi","Development of synthetic equivalent of α,α-dicationic acetic acid leading to unnatural amino acid derivatives via tetrafunctionalized methanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02482E","","","0.71073","MoKα","","0.0725","0.0505","","","0.1225","0.1344","","","","","","1.065","","","","has coordinates","273174","2022-02-26","01:34:51",""
"7158541","9.2206","0.0005","11.1857","0.0006","11.8704","0.0007","112.905","0.002","103.286","0.002","96.447","0.002","1069.43","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Cl2 N2 O3 -","- C21 H22 Cl2 N2 O3 -","- C42 H44 Cl4 N4 O6 -","2","1","","Yi, Zi-Juan; Sun, Jian-Ting; Yang, Tian-Yu; Yu, Xian-Yong; Han, Xiao-Li; Wei, Bang-Guo","Cu(OTf)2-catalyzed C3 aza-Friedel–Crafts alkylation of indoles with N,O-acetals","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02383G","","","0.71073","MoKα","","0.0583","0.0435","","","0.1076","0.1191","","","","","","1.018","","","","has coordinates","273200","2022-03-02","01:39:22",""
"7158542","9.7774","0.0006","10.6374","0.0007","18.9895","0.0014","91.317","0.002","95.348","0.002","108.325","0.002","1863.8","0.2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Br N2 O -","- C20 H21 Br N2 O -","- C80 H84 Br4 N8 O4 -","4","2","","Yi, Zi-Juan; Sun, Jian-Ting; Yang, Tian-Yu; Yu, Xian-Yong; Han, Xiao-Li; Wei, Bang-Guo","Cu(OTf)2-catalyzed C3 aza-Friedel–Crafts alkylation of indoles with N,O-acetals","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02383G","","","0.71073","MoKα","","0.0854","0.0452","","","0.0984","0.1174","","","","","","1.006","","","","has coordinates","273200","2022-03-02","01:39:22",""
"7158543","8.872","0.002","10.452","0.003","10.957","0.003","102.427","0.003","90.106","0.003","113.697","0.003","904.1","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N O4 P -","- C19 H20 N O4 P -","- C38 H40 N2 O8 P2 -","2","1","","Kaboudin, Babak; Moradi, Atieh; Esfandiari, Hesam; Daliri, Payam; Kazemi, Foad; Yanai, Hikaru; Aoyama, Hiroshi","ZnCl2-Mediated Stereo- and Chemoselective Synthesis of Vinylphosphonates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00037G","","x-ray","0.71073","MoKα","K-L~3~","0.0562","0.0418","","","0.0995","0.1096","","","","","","1.048","","","","has coordinates","273313","2022-03-04","01:40:10",""
"7158544","7.3322","0.0012","11.641","0.0019","12.031","0.003","90","","96.751","0.014","90","","1019.8","0.3","119","2","119","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Lei, ZhenYao; Hu, Kui; He, Yuanxiang; Geng, Shu; Zou, Shuai; Chen, Lina; Li, Pan; Ding, ZhiJun; Huang, Feng","Visible light-induced N-radicals 5-exo/6-endo cyclization of alkenyl amide: facile access to isoindolinones/isoquinolinones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00317A","","x-ray","0.71073","MoKα","","0.0625","0.0451","","","0.0931","0.1048","","","","","","1.062","","","","has coordinates","273314","2022-03-04","01:40:50",""
"7158545","8.9132","0.0005","11.7925","0.0006","12.0168","0.0006","71.738","0.003","69.902","0.003","72.397","0.003","1099.23","0.1","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","2","","Lei, ZhenYao; Hu, Kui; He, Yuanxiang; Geng, Shu; Zou, Shuai; Chen, Lina; Li, Pan; Ding, ZhiJun; Huang, Feng","Visible light-induced N-radicals 5-exo/6-endo cyclization of alkenyl amide: facile access to isoindolinones/isoquinolinones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00317A","","","1.54178","CuKα","","0.0447","0.039","","","0.1046","0.1093","","","","","","1.068","","","","has coordinates","273314","2022-03-04","01:40:53",""
"7158546","19.0755","0.0005","10.8083","0.0003","10.4073","0.0003","90","","96.365","0.001","90","","2132.49","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O -","- C29 H25 N O -","- C116 H100 N4 O4 -","4","1","","Zi, Quan-Xing; Cong, Jielun; Li, Lun; Yin, Meng; Zhao, Jingfeng; Li, Liang; Yang, Xiaodong","Synthesis of 1-Pyrroline Derivatives via Cyclization of Terminal Alkynes with 2-Azaallyls","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00102K","","","1.54178","CuKα","","0.0419","0.0407","","","0.1003","0.1013","","","","","","1.057","","","","has coordinates","273315","2022-03-04","01:41:30",""
"7158547","29.9557","0.001","7.3668","0.0002","8.1504","0.0003","90","","90","","90","","1798.61","0.1","199.99","0.1","199.99","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C84 H76 N4 O20 -","4","1","","Wang, Wei-Na; Liu, Ren-Ming; Zhang, Lei; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun","Ring opening and skeletal reconstruction of 3-vinyl benzofuranone-chromone synthons: catalyst-free access to skeletally-diverse 2-pyridone and optically active imidazoline derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02432A","","x-ray","1.54184","CuKα","","0.04","0.0355","","","0.0915","0.0943","","","","","","1.072","","","","has coordinates","273316","2022-03-04","01:42:18",""
"7158548","11.56","0.0002","7.67541","0.00019","16.0245","0.0003","90","","105.743","0.002","90","","1368.48","0.05","199.99","0.1","199.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H30 N2 O3 -","- C35 H30 N2 O3 -","- C70 H60 N4 O6 -","2","1","","Wang, Wei-Na; Liu, Ren-Ming; Zhang, Lei; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun","Ring opening and skeletal reconstruction of 3-vinyl benzofuranone-chromone synthons: catalyst-free access to skeletally-diverse 2-pyridone and optically active imidazoline derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02432A","","x-ray","1.54184","CuKα","","0.0331","0.0326","","","0.0881","0.0889","","","","","","1.059","","","","has coordinates","273316","2022-03-04","01:42:18",""
"7158549","8.5857","0.0001","11.065","0.0001","26.4839","0.0002","90","","90","","90","","2515.99","0.04","179.99","0.1","179.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 N2 O3 -","- C33 H26 N2 O3 -","- C132 H104 N8 O12 -","4","1","","Wang, Wei-Na; Liu, Ren-Ming; Zhang, Lei; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun","Ring opening and skeletal reconstruction of 3-vinyl benzofuranone-chromone synthons: catalyst-free access to skeletally-diverse 2-pyridone and optically active imidazoline derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02432A","","x-ray","1.54184","CuKα","","0.029","0.0285","","","0.0758","0.0764","","","","","","1.056","","","","has coordinates","273316","2022-03-04","01:42:18",""
"7158550","5.9706","0.0008","8.0539","0.0008","42.817","0.005","90","","90","","90","","2058.9","0.4","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C88 H116 N4 O20 -","4","1","","Stakanovs, Georgijs; Belyakov, Sergey; Jirgensons, Aigars; Rasina, Dace","Convergent Biomimetic Semisynthesis of Disesquiterpenoid Rumphellolide J","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00238H","","x-ray","1.54184","CuKα","","0.098","0.0789","","","0.1769","0.1965","","","","","","1.051","","","","has coordinates","273317","2022-03-04","01:43:09",""
"7158551","8.14005","0.00014","15.6385","0.0002","10.95867","0.00019","90","","99.0409","0.0017","90","","1377.69","0.04","150","0.2","150","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O3 -","- C30 H48 O3 -","- C60 H96 O6 -","2","1","","Stakanovs, Georgijs; Belyakov, Sergey; Jirgensons, Aigars; Rasina, Dace","Convergent Biomimetic Semisynthesis of Disesquiterpenoid Rumphellolide J","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00238H","","x-ray","1.54184","CuKα","","0.0332","0.0319","","","0.0845","0.0853","","","","","","1.064","","","","has coordinates","273317","2022-03-04","01:43:09",""
"7158552","9.17564","0.00016","15.1486","0.0003","16.0961","0.0004","102.879","0.002","100.413","0.0017","102.046","0.0016","2071.52","0.08","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C90 H144 O12 -","- C90 H144 O12 -","- C90 H144 O12 -","1","1","","Stakanovs, Georgijs; Belyakov, Sergey; Jirgensons, Aigars; Rasina, Dace","Convergent Biomimetic Semisynthesis of Disesquiterpenoid Rumphellolide J","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00238H","","x-ray","1.54184","CuKα","","0.0738","0.068","","","0.1748","0.179","","","","","","1.057","","","","has coordinates","273317","2022-03-04","01:43:09",""
"7158553","5.2698","0.001","7.5782","0.0014","10.1856","0.0019","100.249","0.011","91.298","0.012","98.547","0.011","395.33","0.13","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C14 H20 O8 -","2","1","","BRAIA, Nabila; Merabet-Khelassi, Mounia; TOFFANO, martial; Guillot, Régis; Aribi-Zouioueche, Louisa","Access to valuable building blocks by regio-and enantioselective ring-opening of itaconic anhydride using lipase catalysis.","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00047D","","","0.71073","MoKα","","0.2441","0.0878","","","0.1304","0.1658","","","","","","0.956","","","","has coordinates","273466","2022-03-06","01:36:02",""
"7158554","17.407","0.009","5.143","0.002","25.561","0.011","90","","110.287","0.013","90","","2146.4","1.7","100","1","100","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C96 H96 O32 -","8","1","","BRAIA, Nabila; Merabet-Khelassi, Mounia; TOFFANO, martial; Guillot, Régis; Aribi-Zouioueche, Louisa","Access to valuable building blocks by regio-and enantioselective ring-opening of itaconic anhydride using lipase catalysis.","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00047D","","","0.71073","MoKα","","0.2212","0.0772","","","0.0927","0.1157","","","","","","1.018","","","","has coordinates","273466","2022-03-06","01:36:10",""
"7158555","5.3029","0.0014","5.4415","0.0015","28.824","0.008","87.791","0.009","87.437","0.009","66.595","0.008","762.3","0.4","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C30 H52 O8 -","2","1","","BRAIA, Nabila; Merabet-Khelassi, Mounia; TOFFANO, martial; Guillot, Régis; Aribi-Zouioueche, Louisa","Access to valuable building blocks by regio-and enantioselective ring-opening of itaconic anhydride using lipase catalysis.","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00047D","","x-ray","0.71073","MoKα","","0.28","0.0945","","","0.1204","0.1471","","","","","","0.952","","","","has coordinates","273466","2022-03-06","01:36:17",""
"7158556","41.083","0.006","41.083","0.006","8.1322","0.001","90","","90","","120","","11887","3","273","2","273","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C29 H29 N O7 S -","- C29 H29 N O7 S -","- C522 H522 N18 O126 S18 -","18","1","","More, Satish Govind; Suryavanshi, Gurunath M.","Lewis acid triggered N-alkylation of sulfoximines through nucleophilic ring-opening of donor-acceptor cyclopropanes: synthesis of γ-sulfoximino malonic diesters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00213B","","","0.71073","MoKα","","0.0394","0.0323","","","0.0681","0.0742","","","","","","0.603","","","","has coordinates","273467","2022-03-06","01:37:15",""
"7158557","7.53431","0.00004","11.74547","0.00007","21.92815","0.00013","90","","90","","90","","1940.51","0.019","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 O6 -","- C18 H28 N2 O6 -","- C72 H112 N8 O24 -","4","1","","Yan, Jiahang; Zhang, Wenting; He, Qiaoqiao; Hou, Jun; Zeng, Hongxin; Wei, Hongbo; Xie, Weiqing","Enantioselective direct vinylogous Michael addition for constructing enantioenriched γ,γ-dialkyl substituted butyrolactams and octahydroindoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00112H","","x-ray","1.54184","CuKα","","0.0272","0.0271","","","0.0686","0.0687","","","","","","1.108","","","","has coordinates","273519","2022-03-08","01:32:51",""
"7158558","12.4129","0.0001","6.4432","0.0001","24.3361","0.0003","90","","101.14","0.001","90","","1909.7","0.04","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O4 -","- C20 H24 Cl N O4 -","- C80 H96 Cl4 N4 O16 -","4","2","","Yan, Jiahang; Zhang, Wenting; He, Qiaoqiao; Hou, Jun; Zeng, Hongxin; Wei, Hongbo; Xie, Weiqing","Enantioselective direct vinylogous Michael addition for constructing enantioenriched γ,γ-dialkyl substituted butyrolactams and octahydroindoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00112H","","x-ray","1.54184","CuKα","","0.0315","0.0299","","","0.0866","0.0878","","","","","","1.078","","","","has coordinates","273519","2022-03-08","01:32:52",""
"7158559","28.7071","0.0004","28.7071","0.0004","25.9528","0.0004","90","","90","","120","","18522.2","0.5","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","6","","- C81 H66 F2 N4 O6 -","- C81 H66 F2 N4 O6 -","- C729 H594 F18 N36 O54 -","9","1","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","x-ray","1.54178","CuKα","","0.0641","0.0402","","","0.0987","0.1101","","","","","","1.025","","","","has coordinates,has disorder","273548","2022-03-09","01:37:20",""
"7158560","18.54","","10.37","","24.28","","90","","103.312","0.003","90","","4542.64","0.06","100","","100","","","","100","","","","","4","I 1 2/a 1","-I 2ya","15","","4a (racemate)","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C240 H184 N8 O16 -","8","1","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","","1.54184","CuKα","","0.051","0.0478","","0.1248","0.1221","0.1248","","","","","","0.9959","","","","has coordinates","273548","2022-03-09","01:37:21",""
"7158561","21.811899","0.000014","9.8405","0.00001","23.848099","0.000014","90","","101.347","0.0018","90","","5018.7","0.03","293","","293","","","","100","","","","","4","I 1 2/a 1","-I 2ya","15","","4j (racemate)","","- C32 H27 N O2 -","- C32 H27 N O2 -","- C256 H216 N8 O16 -","8","1","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","","1.54184","CuKα","","0.0441","0.041","","0.11","0.1058","0.11","","","","","","0.8816","","","","has coordinates","273548","2022-03-09","01:37:21",""
"7158562","9.3537","0.0003","12.1471","0.0004","11.0218","0.0003","90","","104.661","0.003","90","","1211.53","0.07","299","","299","","","","100","","","","","4","P 1 21 1","P 2yb","4","","(+)-4b","","- C31 H22 N2 O2 -","- C31 H22 N2 O2 -","- C62 H44 N4 O4 -","2","1","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","","1.54184","CuKα","","0.0421","0.037","","0.0943","0.0886","0.0943","","","","","","0.9451","","","","has coordinates","273548","2022-03-09","01:37:21",""
"7158563","14.7596","0.000014","9.835999","0.00001","17.417799","0.000014","90","","94.472","0.0018","90","","2520.94","0.007","100","","100","","","","100","","","","","4","P 1 21/n 1","-P 2yn","14","","4m (racemate)","","- C132 H96 N8 O12 -","- C132 H96 N8 O12 -","- C132 H96 N8 O12 -","1","0.25","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","","1.5418","CuKα","","0.0566","0.0517","","0.1384","0.1316","0.1384","","","","","","0.9581","","","","has coordinates","273548","2022-03-09","01:37:21",""
"7158564","12.5954","0.0005","20.4792","0.0008","21.2634","0.0009","91.735","0.002","106.457","0.002","94.822","0.002","5233","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H33 I2 N5 O4 Pt -","- C33 H33 I2 N5 O4 Pt -","- C198 H198 I12 N30 O24 Pt6 -","6","3","","Sierra, Miguel A.; Avello, Marta G.; Moreno-Latorre, María; de la Torre, Maria C.; Casarrubios, Luis; Hemmert, Catherine; GORNITZKA, Heinz","β-Lactam and Penicillin Substituted Mesoionic Metal Carbene Complexes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00216G","","","0.71073","MoKα","","0.0954","0.0501","","","0.093","0.1197","","","","","","1.16","","","","has coordinates,has disorder","273549","2022-03-09","01:38:07",""
"7158565","7.1449","0.0009","15.429","0.003","11.89","0.002","90","","99.952","0.015","90","","1291","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 I2 N8 O12 -","- C16 H26 I2 N8 O12 -","- C32 H52 I4 N16 O24 -","2","1","","Mathe-Allainmat, Monique; LeBreton, Jacques; Sierocki, Pierre; Guillemont, Jerome; Tessier, Arnaud; Arzel, Laurence; Grosse, Sandrine; Gaillard, Krystal; Arellano-Reyes, Ruben Arturo; Lambert, Emilie; Donnard, Chloe","Synthesis of novel C-nucleoside analogues bearing an anomeric cyano and a 1,2,3-triazole nucleobase as potential antiviral agents","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02451E","","","1.54184","CuKα","","0.0904","0.0641","","","0.1486","0.1763","","","","","","0.997","","","","has coordinates","273580","2022-03-10","01:37:24",""
"7158566","9.9654","0.0002","10.8736","0.0002","14.6459","0.0003","100.434","0.002","109.813","0.002","94.308","0.002","1452.32","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-(p-Tolyl)naphtho[2,1-f]pyreno[2,1-h]quinoline","","- C39 H23 Cl3 D N -","- C39 H23 Cl3 D N -","- C78 H46 Cl6 D2 N2 -","2","1","","Tonkoglazova, Daria; Oryabinskaya, Lyubov M.; Shcherbatykh, Aleksandr; Gulevskaya, Anna V.","Synthesis and crystal structure of pH-sensitive fluorescent pyrene-based double aza- and diaza[4]helicenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00204C","","x-ray","1.54184","CuKα","","0.0389","0.0351","","","0.0951","0.098","","","","","","1.054","","","","has coordinates","273581","2022-03-10","01:38:01",""
"7158567","47.1826","0.0003","6.90335","0.00005","24.948","0.0002","90","","103.474","0.0008","90","","7902.35","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","8-Iodo-7-phenylpyreno[1,2-f]quinoxaline","","- C28 H15 I N2 -","- C28 H15 I N2 -","- C448 H240 I16 N32 -","16","2","","Tonkoglazova, Daria; Oryabinskaya, Lyubov M.; Shcherbatykh, Aleksandr; Gulevskaya, Anna V.","Synthesis and crystal structure of pH-sensitive fluorescent pyrene-based double aza- and diaza[4]helicenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00204C","","x-ray","1.54184","CuKα","","0.023","0.0218","","","0.0596","0.0604","","","","","","1.068","","","","has coordinates","273581","2022-03-10","01:38:02",""
"7158568","13.653","0.005","5.286","0.002","17.808","0.007","90","","100.77","0.05","90","","1262.6","0.9","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O6 -","- C16 H10 O6 -","- C64 H40 O24 -","4","1","","Hutchings, Michael; Lawrence, Anthony J.; Kennedy, Alan","Colour and constitution of conjugate bases of benzodifurantrione, its ring-opened derivatives and benzodifuranone dye analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02442F","","","1.5418","CuKα","","0.1331","0.0619","","","0.1612","0.2197","","","","","","0.942","","","","has coordinates","273635","2022-03-11","01:52:53",""
"7158569","7.7647","0.0005","12.5408","0.0011","38.014","0.003","90","","90","","90","","3701.6","0.5","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C153 H106 Cl2 F40 N8 O16 S8 -","- C153 H106 Cl2 F40 N8 O16 S8 -","- C153 H106 Cl2 F40 N8 O16 S8 -","1","0.25","","Llobat, Alberto; Escorihuela, Jorge; Ramírez de Arellano, Carmen; Fustero, Santos; Medio-Simón, Mercedes","Intramolecular rhodium-catalysed [2 + 2 + 2] cycloaddition of linear chiral N-bridged triynes: straightforward access to fused tetrahydroisoquinoline core","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00340F","","","0.71073","MoKα","","0.0583","0.0523","","","0.1317","0.1371","","","","","","1.144","","","","has coordinates,has disorder","273674","2022-03-12","01:35:27",""
"7158570","10.2403","0.0005","15.5996","0.0008","12.3812","0.0006","90","","102.08","0.007","90","","1934.03","0.17","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F2 N O -","- C24 H21 F2 N O -","- C96 H84 F8 N4 O4 -","4","1","","Yamamoto, Yoshihiko; Suzuki, Harufumi; Kuroyanagi, Eisuke; Yamada, Keiji; Yasui, Takeshi","Co-catalyzed atom transfer radical addition of bromodifluoroacetamides, expanding the scope of radical alkylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00437B","","","1.54187","CuKα","","0.0519","0.0481","","","0.1211","0.1243","","","","","","1.054","","","","has coordinates","273712","2022-03-16","01:34:37",""
"7158571","12.3306","0.0009","15.8437","0.0012","8.6085","0.0007","90","","94.257","0.003","90","","1677.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","","Yatham, Veera Reddy; Tripathy, Alisha Rani; A, Rizwana Rahmathulla; Kumar, Amit","Photocatalyzed Alkylative Cyclization of 2-Isocyanobiphenyls with Unactivated Alkyl Iodides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00314G","","","0.71073","MoKα","","0.1318","0.0543","","","0.1204","0.1542","","","","","","0.993","","","","has coordinates","273766","2022-03-18","01:37:13",""
"7158572","9.1696","0.0008","10.0689","0.0009","25.845","0.002","90","","90","","90","","2386.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 B O P -","- C25 H35 B O P -","- C100 H140 B4 O4 P4 -","4","1","","Zhai, De-Hua; Yan, Bing-Xia; Li, Zhan-Cai; Lin, Zhu; Li, Qiang; Wang, Yan-Lan; Zheng, Hong-Xing; Zhao, Chang-Qiu","The stereoselective conversion of epimerized alkoxyl phosphine–borane to P,C, axial-stereogenic tertiary phosphine via cleavage of P–O bond","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00351A","","","0.71073","MoKα","","0.1715","0.1046","","","0.2575","0.298","","","","","","1.086","","","","has coordinates","273767","2022-03-18","01:38:04",""
"7158573","9.6028","0.0009","14.6741","0.0013","16.227","0.0015","90","","95.398","0.002","90","","2276.4","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 B O P -","- C24 H33 B O P -","- C96 H132 B4 O4 P4 -","4","2","","Zhai, De-Hua; Yan, Bing-Xia; Li, Zhan-Cai; Lin, Zhu; Li, Qiang; Wang, Yan-Lan; Zheng, Hong-Xing; Zhao, Chang-Qiu","The stereoselective conversion of epimerized alkoxyl phosphine–borane to P,C, axial-stereogenic tertiary phosphine via cleavage of P–O bond","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00351A","","","0.71073","MoKα","","0.1054","0.0608","","","0.1396","0.1599","","","","","","0.958","","","","has coordinates","273767","2022-03-18","01:38:04",""
"7158574","12.84","0.05","13.69","0.05","14.68","0.05","90","","90","","90","","2580","16","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 B O P -","- C26 H37 B O P -","- C104 H148 B4 O4 P4 -","4","1","","Zhai, De-Hua; Yan, Bing-Xia; Li, Zhan-Cai; Lin, Zhu; Li, Qiang; Wang, Yan-Lan; Zheng, Hong-Xing; Zhao, Chang-Qiu","The stereoselective conversion of epimerized alkoxyl phosphine–borane to P,C, axial-stereogenic tertiary phosphine via cleavage of P–O bond","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00351A","","","0.71073","MoKα","","0.2276","0.1183","","","0.2873","0.35","","","","","","0.965","","","","has coordinates","273767","2022-03-18","01:38:05",""
"7158575","38.906","0.0012","5.7838","0.0002","11.1782","0.0003","90","","102.526","0.001","90","","2455.5","0.13","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C112 H160 O24 -","8","2","","Yang, Haidi; Liu, Jinyao; Hu, Pan; Gao, Liang; Huang, Zedu; Chen, Fen-Er","Asymmetric Total Synthesis of (+)-(2R,4’R,8’R)--Tocopherol Enabled by Enzymatic Desymmetrization","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00384H","","","1.34138","GaKα","","0.0483","0.0454","","","0.1234","0.127","","","","","","1.056","","","","has coordinates","273768","2022-03-18","01:38:44",""
"7158576","5.5942","0.0003","10.5681","0.0006","11.9447","0.0006","102.226","0.002","92.692","0.002","90.534","0.002","689.26","0.06","299","2","299","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C36 H28 O6 -","2","1","","Krishna, Anugam V.; Ramachary, Dhevalapally B.","The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.","Organic & biomolecular chemistry","2022","20","19","3948","3954","10.1039/d2ob00438k","","","0.71073","MoKα","","0.0972","0.0745","","","0.1827","0.1981","","","","","","1.14","","","","has coordinates","275825","2022-06-06","02:05:12",""
"7158577","10.4584","0.0004","3.9248","0.0002","31.2078","0.0013","90","","95.455","0.004","90","","1275.19","0.1","298","0.7","298","0.7","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","","Krishna, Anugam V.; Ramachary, Dhevalapally B.","The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.","Organic & biomolecular chemistry","2022","20","19","3948","3954","10.1039/d2ob00438k","","x-ray","0.71073","MoKα","","0.0738","0.0493","","","0.1259","0.1474","","","","","","1.026","","","","has coordinates","275825","2022-06-06","02:05:23",""
"7158578","5.442","0.0005","10.6713","0.0015","12.7912","0.0018","71.516","0.013","87.083","0.009","75.865","0.01","682.89","0.16","295","1","295","1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C36 H28 O8 -","2","1","","Krishna, Anugam V.; Ramachary, Dhevalapally B.","The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.","Organic & biomolecular chemistry","2022","20","19","3948","3954","10.1039/d2ob00438k","","x-ray","0.71073","MoKα","","0.1291","0.0775","","","0.1854","0.229","","","","","","1.03","","","","has coordinates","275825","2022-06-06","02:05:26",""
"7158579","12.3812","0.0007","5.5547","0.0003","18.6375","0.001","90","","94.036","0.002","90","","1278.59","0.12","300","2","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O3 -","- C17 H12 O3 -","- C68 H48 O12 -","4","1","","Krishna, Anugam V.; Ramachary, Dhevalapally B.","The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.","Organic & biomolecular chemistry","2022","20","19","3948","3954","10.1039/d2ob00438k","","","0.71073","MoKα","","0.0887","0.0829","","","0.1912","0.1975","","","","","","1.287","","","","has coordinates","275825","2022-06-06","02:05:29",""
"7158580","22.7593","0.0014","10.8788","0.0007","19.9065","0.0012","90","","111.832","0.001","90","","4575.2","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 Br N2 O -","- C29 H21 Br N2 O -","- C232 H168 Br8 N16 O8 -","8","1","","Hosseinijei, Reyhaneh; Zahedian Tejeneki, Hossein; Nikbakht, Ali -; Rominger, Frank -; Balalaie, Saeed","Synthesis of Functionalized 1-Aminoisoquinolines through Cascade Three-Component Reaction of ortho-Alkynylbenzaldoximes, 2H-Azirines, and Electrophiles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00275B","","","0.71073","MoKα","","0.0841","0.0462","","","0.0862","0.0987","","","","","","1.024","","","","has coordinates","273823","2022-03-19","01:29:01",""
"7158581","8.4389","0.0015","16.182","0.003","8.8628","0.0017","90","","91.763","0.007","90","","1209.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl N O -","- C12 H20 Cl N O -","- C48 H80 Cl4 N4 O4 -","4","1","","Trenchs, Gisela; Diaba, Faïza","Photoredox catalysis in the synthesis of γ- and δ-lactams from N-alkenyl trichloro- and dichloroacetamides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00276K","","","0.71073","MoKα","","0.1043","0.0582","","","0.0942","0.1131","","","","","","1.034","","","","has coordinates","273824","2022-03-19","01:29:24",""
"7158582","14.998","0.0006","12.8933","0.0005","21.1475","0.0011","90","","90","","90","","4089.4","0.3","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H22 Cl N O6 -","- C23 H22 Cl N O6 -","- C184 H176 Cl8 N8 O48 -","8","1","","Tang, Zhishun; Chen, Linghong; Yin, Pengxuan; Yang, Lu; Shi, Zhichuan; Zhao, Zhigang; Ye, Ling; Li, Xuefeng","Diastereoselective construction of tetracyclic chromanes <i>via</i> a triply annulative strategy.","Organic & biomolecular chemistry","2022","20","16","3342","3347","10.1039/d2ob00326k","","x-ray","0.71073","MoKα","","0.0502","0.0389","","","0.083","0.0903","","","","","","1.057","","","","has coordinates","275064","2022-05-05","20:55:15",""
"7158583","6.8434","0.0007","10.0084","0.0008","10.5726","0.0009","73.419","0.003","75.274","0.004","72.063","0.003","649.21","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O5 S -","- C12 H14 O5 S -","- C24 H28 O10 S2 -","2","1","","Jain, Anshul; Maji, Sushobhan; Shukla, Khyati; Kumari, Akanksha; Garg, Shivani; Metre, Ramesh K.; Bhattacharyya, Sudipta; Rana, Nirmal K.","Stereoselective synthesis of tri-substituted tetrahydrothiophenes and their in silico binding against mycobacterial protein tyrosine phosphatase B","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00052K","","","0.71073","MoKα","","0.1037","0.0735","","","0.1965","0.2237","","","","","","1.385","","","","has coordinates","273909","2022-03-23","01:33:22",""
"7158584","41.99","0.011","7.821","0.002","10.606","0.003","90","","90","","90","","3483.1","1.6","100","","100","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C17 H20 O6 S -","- C17 H20 O6 S -","- C136 H160 O48 S8 -","8","1","","Jain, Anshul; Maji, Sushobhan; Shukla, Khyati; Kumari, Akanksha; Garg, Shivani; Metre, Ramesh K.; Bhattacharyya, Sudipta; Rana, Nirmal K.","Stereoselective synthesis of tri-substituted tetrahydrothiophenes and their in silico binding against mycobacterial protein tyrosine phosphatase B","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00052K","","","0.71073","MoKα","","0.1094","0.0795","","","0.1819","0.2053","","","","","","1.292","","","","has coordinates","273909","2022-03-23","01:33:23",""
"7158585","6.7389","0.0012","14.205","0.003","32.179","0.006","90","","90","","90","","3080.4","1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Cl2 O4 S -","- C14 H12 Cl2 O4 S -","- C112 H96 Cl16 O32 S8 -","8","1","","Jain, Anshul; Maji, Sushobhan; Shukla, Khyati; Kumari, Akanksha; Garg, Shivani; Metre, Ramesh K.; Bhattacharyya, Sudipta; Rana, Nirmal K.","Stereoselective synthesis of tri-substituted tetrahydrothiophenes and their in silico binding against mycobacterial protein tyrosine phosphatase B","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00052K","","","0.71073","MoKα","","0.0572","0.0447","","","0.1163","0.1231","","","","","","1.09","","","","has coordinates","273909","2022-03-23","01:33:23",""
"7158586","23.154","0.0014","10.2807","0.0006","24.2524","0.0015","90","","111.897","0.002","90","","5356.5","0.6","197","2","197","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H54 N6 O16 S2 -","- C56 H54 N6 O16 S2 -","- C224 H216 N24 O64 S8 -","4","1","","Tian, Heng-Zhi; Wu, Sheng-Feng; Zhuang, Guo-Wei; Lin, Guo-Qiang; Sun, Xing-Wen","Base-controlled dearomative [3+2] cycloadditions between 3-nitro-indoles and fumaric acid amide esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00296E","","","1.54178","cukα","","0.0333","0.0326","","","0.087","0.0878","","","","","","1.026","","","","has coordinates","273910","2022-03-23","01:34:24",""
"7158587","9.9808","0.0013","10.3586","0.0015","11.4372","0.0019","105.673","0.013","95.539","0.011","102.695","0.012","1095.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O6 S -","- C23 H22 N2 O6 S -","- C46 H44 N4 O12 S2 -","2","1","","Tian, Heng-Zhi; Wu, Sheng-Feng; Zhuang, Guo-Wei; Lin, Guo-Qiang; Sun, Xing-Wen","Base-controlled dearomative [3+2] cycloadditions between 3-nitro-indoles and fumaric acid amide esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00296E","","","1.34138","GaKα","","0.0488","0.0426","","","0.1216","0.128","","","","","","1.061","","","","has coordinates,has disorder","273910","2022-03-23","01:34:25",""
"7158588","10.2364","0.0005","11.9238","0.0006","11.9612","0.0006","107.241","0.002","105.874","0.002","99.055","0.002","1295.2","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O6 S -","- C28 H26 N2 O6 S -","- C56 H52 N4 O12 S2 -","2","1","","Tian, Heng-Zhi; Wu, Sheng-Feng; Zhuang, Guo-Wei; Lin, Guo-Qiang; Sun, Xing-Wen","Base-controlled dearomative [3+2] cycloadditions between 3-nitro-indoles and fumaric acid amide esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00296E","","","1.54178","CuKα","","0.0463","0.0433","","","0.1115","0.1136","","","","","","1.045","","","","has coordinates","273910","2022-03-23","01:34:25",""
"7158589","20.25","0.0007","25.6491","0.0008","17.0445","0.0006","90","","105.088","0.003","90","","8547.6","0.5","200","2","200","2","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","5,8,11-trimesityl-cyclopenta[1,2-c:4,3-c']difluorene radical","","- C54.75 H45.75 Cl2.25 -","- C54.7505 H45.7505 Cl2.2515 -","- C438.004 H366.004 Cl18.012 -","8","2","","Herzog, Stefan; Hinz, Alexander; Breher, Frank; Podlech, Joachim","Cyclopenta-fused polyaromatic hydrocarbons: synthesis and characterisation of a stable, carbon-centred helical radical","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00172A","","x-ray","0.71073","MoKα","","0.1428","0.0712","","","0.1575","0.1987","","","","","","1.017","","","","has coordinates,has disorder","273911","2022-03-23","01:35:09",""
"7158590","12.9731","0.0006","15.1155","0.0006","13.3582","0.0006","90","","94.384","0.002","90","","2611.8","0.2","298","2","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Cl N2 O3 S -","- C30 H23 Cl N2 O3 S -","- C120 H92 Cl4 N8 O12 S4 -","4","1","","Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang","Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions.","Organic & biomolecular chemistry","2022","20","17","3486","3490","10.1039/d2ob00466f","","","0.71073","MoKα","","0.1145","0.0518","","","0.1069","0.1301","","","","","","1.013","","","","has coordinates","275057","2022-05-05","20:54:17",""
"7158591","21.023","0.003","12.4076","0.0016","18.781","0.003","90","","90","","90","","4898.9","1.2","150","2","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H22 N2 O3 S -","- C30 H22 N2 O3 S -","- C240 H176 N16 O24 S8 -","8","2","","Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang","Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions.","Organic & biomolecular chemistry","2022","20","17","3486","3490","10.1039/d2ob00466f","","","0.71073","MoKα","","0.0583","0.0422","","","0.0929","0.1018","","","","","","1.017","","","","has coordinates","275057","2022-05-05","20:54:17",""
"7158592","11.4722","0.0009","11.6024","0.0009","11.81","0.0011","112.336","0.003","91.537","0.003","112.501","0.003","1315.8","0.2","185","2","185","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O3 S2 -","- C28 H20 N2 O3 S2 -","- C56 H40 N4 O6 S4 -","2","1","","Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang","Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions.","Organic & biomolecular chemistry","2022","20","17","3486","3490","10.1039/d2ob00466f","","","0.71073","MoKα","","0.0841","0.0503","","","0.1188","0.1357","","","","","","1.028","","","","has coordinates,has disorder","275057","2022-05-05","20:54:17",""
"7158593","9.754","0.003","9.783","0.003","27.883","0.009","89.185","0.011","88.372","0.013","62.58","0.009","2360.8","1.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 O5 Se2 -","- C26 H24 O5 Se2 -","- C104 H96 O20 Se8 -","4","2","","Wang, Ying; Xu, Ning; Li, Weiwei; Li, Jiaojiao; Huo, Yijun; Zhu, Wenrong; Liu, Qiang","Synthesis of 1,3-diselenyl-dihydroisobenzofurans via electrochemical radical selenylation with substituted o-divinylbenzenes and diselenides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00254J","","","0.71073","MoKα","","0.1385","0.0917","","","0.2493","0.2987","","","","","","1.037","","","","has coordinates","273947","2022-03-24","01:37:58",""
"7158594","8.1282","0.0003","13.2665","0.0006","14.8538","0.0008","111.379","0.005","101.712","0.004","94.591","0.003","1439.47","0.13","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F3 N3 O -","- C16 H14 F3 N3 O -","- C64 H56 F12 N12 O4 -","4","2","","Lan, Jianyong; Li, Shaoyun; Lin, Kejun; Zhou, Peng; Chen, Weili; Gao, Liqian; Zhu, Tingshun","The eco-friendly electrosynthesis of trifluoromethylated spirocyclic indolines and their anticancer activity.","Organic & biomolecular chemistry","2022","20","17","3475","3479","10.1039/d2ob00459c","","x-ray","1.54184","CuKα","","0.0624","0.05","","","0.1358","0.1493","","","","","","1.051","","","","has coordinates","275051","2022-05-05","20:53:21",""
"7158595","6.7215","0.0002","18.6021","0.0005","20.0805","0.0005","90","","90","","90","","2510.75","0.12","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F N O5 S2 -","- C28 H24 F N O5 S2 -","- C112 H96 F4 N4 O20 S8 -","4","1","","Son, Yeri; Hwang, Sunjoo; Bak, Sujin; Kim, Ha Eun; Choi, Jun-Ho; Chung, Won-Jin","α-Fluoroamine synthesis <i>via</i> P(III)-mediated deoxygenative geminal fluorosulfonimidation of 1,2-diketones.","Organic & biomolecular chemistry","2022","20","16","3263","3267","10.1039/d2ob00498d","","","0.71073","MoKα","","0.0399","0.0342","","","0.0794","0.082","","","","","","1.13","","","","has coordinates","275063","2022-05-05","20:55:09",""
"7158596","9.4017","0.0003","18.1121","0.0005","18.3977","0.0005","90","","90","","90","","3132.84","0.16","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H24 Br N3 O7 -","- C30 H24 Br N3 O7 -","- C120 H96 Br4 N12 O28 -","4","1","","Gu, Congzheng; Tian, Guangzheng; Yin, Qingyu; Wu, Fan; Li, Zhiming; Wu, Xiaoyu","Amide phosphonium salt catalyzed enantioselective Mannich addition of isoxazole-based nucleophiles to β,γ-alkynyl-α-ketimino esters.","Organic & biomolecular chemistry","2022","20","16","3323","3334","10.1039/d2ob00309k","","","1.54178","CuKα","","0.0606","0.06","","","0.1568","0.1578","","","","","","1.127","","","","has coordinates","275065","2022-05-05","20:55:21",""
"7158597","18.407","0.003","6.1109","0.0008","18.265","0.002","90","","118.358","0.004","90","","1808","0.4","138","2","138","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0388","0.0332","","","0.0715","0.0739","","","","","","1.047","","","","has coordinates","274092","2022-03-30","00:22:33",""
"7158598","10.091","0.003","6.9401","0.0017","13.251","0.003","90","","93.847","0.01","90","","925.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C32 H52 N4 O6 S2 -","2","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0591","0.045","","","0.0988","0.1064","","","","","","1.055","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158599","9.675","0.002","8.97","0.002","11.079","0.003","90","","112.311","0.009","90","","889.5","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C32 H52 N4 O6 S2 -","2","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0331","0.031","","","0.0784","0.0799","","","","","","1.002","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158600","9.705","0.003","8.9445","0.0019","11.226","0.002","90","","110.39","0.004","90","","913.4","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C32 H52 N4 O6 S2 -","2","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0579","0.0428","","","0.0913","0.0974","","","","","","1.049","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158601","9.5944","0.0016","12.7794","0.0019","14.847","0.003","90","","90","","90","","1820.4","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0511","0.0384","","","0.0763","0.0812","","","","","","1.034","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158602","11.311","0.003","11.311","0.003","25.025","0.016","90","","90","","120","","2773","2","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C96 H156 N12 O18 S6 -","6","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0697","0.0401","","","0.0701","0.0807","","","","","","1.013","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158603","9.7014","0.0014","9.7014","0.0014","16.297","0.003","90","","90","","120","","1328.3","0.4","173","2","173","2","","","","","","","","5","P 31","P 31","144","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C48 H78 N6 O9 S3 -","3","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0599","0.0394","","","0.0656","0.0708","","","","","","0.728","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158604","9.6924","0.0009","9.6924","0.0009","16.293","0.004","90","","90","","120","","1325.5","0.4","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C48 H78 N6 O9 S3 -","3","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0891","0.0781","","","0.2876","0.2967","","","","","","1.084","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158605","6.1605","0.0012","9.3672","0.0016","32.178","0.007","90","","94.85","0.008","90","","1850.2","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","2","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0692","0.0512","","","0.0985","0.106","","","","","","1.01","","","","has coordinates,has disorder","274092","2022-03-30","00:22:35",""
"7158606","10.673","0.003","10.673","0.003","13.675","0.008","90","","90","","120","","1349.1","1","173","2","173","2","","","","","","","","5","P 31","P 31","144","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C48 H78 N6 O9 S3 -","3","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.1236","0.0679","","","0.1142","0.1409","","","","","","0.944","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158607","10.6671","0.0008","10.6671","0.0008","13.665","0.002","90","","90","","120","","1346.6","0.2","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C48 H78 N6 O9 S3 -","3","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0505","0.0391","","","0.0708","0.0735","","","","","","0.955","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158608","11.3229","0.0014","12.9953","0.0015","17.423","0.002","90","","90","","90","","2563.7","0.5","138","2","138","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N4 O4 S -","- C25 H36 N4 O4 S -","- C100 H144 N16 O16 S4 -","4","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0605","0.0401","","","0.0767","0.0838","","","","","","1.028","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158609","7.0729","0.0019","9.1807","0.0018","28.272","0.006","90","","90","","90","","1835.8","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0707","0.0492","","","0.101","0.111","","","","","","1.026","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158610","9.7838","0.0002","9.3969","0.0001","19.7446","0.0003","90","","95.282","0.001","90","","1807.56","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","1","","Lu, Yuling; Duan, Xianxian; Chen, Xia; Yao, Meng; Chen, Chunmei; Zhu, Hucheng; Luo, Zengwei; Zhang, Yonghui","A mild tetradehydro-Diels–Alder reaction of aryldiyne compounds affords exclusively linear products","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00121G","","","1.54178","CuKα","","0.0757","0.0732","","","0.2078","0.2115","","","","","","1.075","","","","has coordinates","274093","2022-03-30","00:23:17",""
"7158611","5.7351","0.0001","41.9722","0.0012","8.3858","0.0002","90","","107.644","0.001","90","","1923.63","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Hsu, Yin-Yin; Luo, Sheng-Qi; Hong, Bor-Cherng; Chien, Su-Ying","A mild one-pot transformation of nitroalkanes to ketones or aldehydes <i>via</i> a visible-light photocatalysis-hydrolysis sequence.","Organic & biomolecular chemistry","2022","20","16","3292","3302","10.1039/d2ob00267a","","","0.71073","MoKα","","0.0602","0.0502","","","0.1197","0.125","","","","","","1.07","","","","has coordinates","275060","2022-05-05","20:54:51",""
"7158612","7.147","0.006","11.942","0.01","12.279","0.013","61.56","0.03","87.07","0.03","75.58","0.03","889.7","1.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","8-(5-Fluoro-2-hydroxybenzoyl)-6-phenyl-11H-pyrido[2,1-b]quinazolin-11-one","","- C25 H15 F N2 O3 -","- C25 H15 F N2 O3 -","- C50 H30 F2 N4 O6 -","2","1","","Yun, Ei Seul; Akhtar, Muhammad Saeed; Mohandoss, Sonaimuthu; Lee, Yong Rok","Microwave-assisted annulation for the construction of pyrido-fused heterocycles and their application as photoluminescent chemosensors.","Organic & biomolecular chemistry","2022","20","16","3397","3407","10.1039/d2ob00257d","","","0.71073","MoKα","","0.0793","0.058","","","0.1509","0.1696","","","","","","1.032","","","","has coordinates","275059","2022-05-05","20:54:44",""
"7158613","6.9257","0.0003","28.2706","0.0015","12.4537","0.0006","90","","99.8416","0.0017","90","","2402.5","0.2","128","2","128","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 F8 N2 S2 -","- C26 H16 F8 N2 S2 -","- C104 H64 F32 N8 S8 -","4","1","","Nakagawa, Yuma; Hishida, Tatsuya; Hatano, Eri; Sumaru, Kimio; Morishita, Kana; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced cytotoxicity of photochromic symmetric diarylethene derivatives: the relation of structure and cytotoxicity","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00224H","","","0.71073","MoKa","","0.0594","0.0398","","","0.0979","0.115","","","","","","1.096","","","","has coordinates","274154","2022-03-31","01:01:54",""
"7158614","6.5704","0.0001","16.6413","0.0003","28.0569","0.0005","90","","94.4663","0.0006","90","","3058.43","0.09","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 F6 N2 S2 -","- C33 H32 F6 N2 S2 -","- C132 H128 F24 N8 S8 -","4","1","","Nakagawa, Yuma; Hishida, Tatsuya; Hatano, Eri; Sumaru, Kimio; Morishita, Kana; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced cytotoxicity of photochromic symmetric diarylethene derivatives: the relation of structure and cytotoxicity","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00224H","","","1.54178","CuKa","","0.0329","0.0325","","","0.0848","0.0854","","","","","","1.037","","","","has coordinates","274154","2022-03-31","01:01:54",""
"7158615","11.99","0.0005","21.3155","0.001","12.2134","0.0005","90","","93.3338","0.0017","90","","3116.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 F6 N2 S2 -","- C33 H32 F6 N2 S2 -","- C132 H128 F24 N8 S8 -","4","1","","Nakagawa, Yuma; Hishida, Tatsuya; Hatano, Eri; Sumaru, Kimio; Morishita, Kana; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced cytotoxicity of photochromic symmetric diarylethene derivatives: the relation of structure and cytotoxicity","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00224H","","","0.71073","MoKa","","0.0637","0.0554","","","0.1504","0.1576","","","","","","1.03","","","","has coordinates","274154","2022-03-31","01:01:54",""
"7158616","8.1305","0.0007","9.2545","0.0008","14.7289","0.0013","96.831","0.003","98.583","0.003","104.865","0.003","1044.74","0.16","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cl Cu N5 O2 -","- C25 H16 Cl Cu N5 O2 -","- C50 H32 Cl2 Cu2 N10 O4 -","2","1","","Das, Krishna Mohan; Pal, Adwitiya; Adarsh, Nayarassery N.; Thakur, Arunabha","A novel quinoline-based NNN-pincer Cu(II) complex as a superior catalyst for oxidative esterification of allylic C(sp<sup>3</sup>)-H bonds.","Organic & biomolecular chemistry","2022","20","17","3540","3549","10.1039/d2ob00220e","","","0.71073","MoKα","","0.0828","0.0785","","","0.2316","0.2338","","","","","","1.133","","","","has coordinates","275056","2022-05-05","20:54:09",""
"7158617","10.881","0.002","10.233","0.002","11.017","0.002","90","","108.43","0.03","90","","1163.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Das, Krishna Mohan; Pal, Adwitiya; Adarsh, Nayarassery N.; Thakur, Arunabha","A novel quinoline-based NNN-pincer Cu(II) complex as a superior catalyst for oxidative esterification of allylic C(sp<sup>3</sup>)-H bonds.","Organic & biomolecular chemistry","2022","20","17","3540","3549","10.1039/d2ob00220e","","","0.71073","MoKα","","0.0776","0.0565","","","0.1555","0.1735","","","","","","1.048","","","","has coordinates,has disorder","275056","2022-05-05","20:54:09",""
"7158618","8.8732","0.0003","23.4482","0.0005","10.733","0.0003","90","","109.856","0.003","90","","2100.35","0.11","99.99","0.13","99.99","0.13","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H23 B Cl3 N O3 -","- C17 H23 B Cl3 N O3 -","- C68 H92 B4 Cl12 N4 O12 -","4","1","","Szwetkowski, Connor; Slebodnick, Carla; Santos, Webster L.","Regio- and stereoselective copper-catalyzed α,β-protoboration of allenoates: access to <i>Z</i>-β,γ-unsaturated β-boryl esters.","Organic & biomolecular chemistry","2022","20","16","3287","3291","10.1039/d2ob00423b","","x-ray","1.54184","CuKα","","0.0557","0.0535","","","0.1462","0.1481","","","","","","1.148","","","","has coordinates","275066","2022-05-05","20:55:26",""
"7158619","10.537","0.006","10.802","0.006","15.329","0.008","90","","94.978","0.015","90","","1738.2","1.7","303","2","302.81","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","2","","Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar","Total synthesis and stereochemical assignment of bipolamide A acetate.","Organic & biomolecular chemistry","2022","20","16","3348","3358","10.1039/d2ob00230b","","","0.71073","MoKα","","0.1727","0.0933","","","0.1758","0.2079","","","","","","1.045","","","","has coordinates","275061","2022-05-05","20:54:57",""
"7158620","10.7002","0.0011","6.0652","0.0007","11.85","0.0012","90","","99.659","0.003","90","","758.15","0.14","126","2","126.44","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H25 N O5 -","- C13 H25 N O5 -","- C26 H50 N2 O10 -","2","1","","Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar","Total synthesis and stereochemical assignment of bipolamide A acetate.","Organic & biomolecular chemistry","2022","20","16","3348","3358","10.1039/d2ob00230b","","","0.71073","MoKα","","0.054","0.0525","","","0.1359","0.1366","","","","","","1.157","","","","has coordinates","275061","2022-05-05","20:54:57",""
"7158621","5.466","0.0012","10.025","0.002","15.193","0.004","90","","90","","90","","832.5","0.3","146.15","","146.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar","Total synthesis and stereochemical assignment of bipolamide A acetate.","Organic & biomolecular chemistry","2022","20","16","3348","3358","10.1039/d2ob00230b","","","0.71073","MoKα","","0.0505","0.0419","","","0.0963","0.1026","","","","","","1.079","","","","has coordinates","275061","2022-05-05","20:54:57",""
"7158622","10.5155","0.0011","15.442","0.002","15.19","0.002","90","","95.337","0.012","90","","2455.9","0.5","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N2 O3 -","- C31 H30 N2 O3 -","- C124 H120 N8 O12 -","4","1","","Chen, Lin; Liang, Wei","Phase-transfer catalyzed Michael/ammonolysis cascade reactions of enaminones and olefinic azlactones: a new approach to structurally diverse quinoline-2,5-diones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00096B","","x-ray","0.71073","MoKα","","0.0819","0.0609","","","0.143","0.1582","","","","","","1.056","","","","has coordinates","274158","2022-03-31","01:04:49",""
"7158623","10.5937","0.0006","15.3406","0.0011","16.5661","0.0007","87.802","0.005","88.24","0.004","81.951","0.005","2662.9","0.3","250.01","0.1","250.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 Br N2 O3 -","- C31 H29 Br N2 O3 -","- C124 H116 Br4 N8 O12 -","4","2","","Chen, Lin; Liang, Wei","Phase-transfer catalyzed Michael/ammonolysis cascade reactions of enaminones and olefinic azlactones: a new approach to structurally diverse quinoline-2,5-diones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00096B","","x-ray","0.71073","MoKα","","0.1175","0.0621","","","0.1327","0.1585","","","","","","1.033","","","","has coordinates,has disorder","274158","2022-03-31","01:04:53",""
"7158624","13.1462","0.0013","8.7576","0.0007","25.691","0.002","90","","102.499","0.009","90","","2887.7","0.4","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H17 B N5 O0.5 -","- C13 H17 B N5 O0.5 -","- C104 H136 B8 N40 O4 -","8","1","","Zhang, Yifei; Liao, Yangzhen; Liu, Peijun; Ran, Yu; Liu, Xiaozu","Radical borylation of vinyl azides with NHC-boranes: divergent synthesis of α-boryl ketones and borylated triazoles.","Organic & biomolecular chemistry","2022","20","17","3550","3557","10.1039/d2ob00076h","","x-ray","0.71073","MoKα","","0.0582","0.0466","","","0.1073","0.1147","","","","","","1.06","","","","has coordinates","275052","2022-05-05","20:53:27",""
"7158625","10.4688","0.0001","15.0424","0.0001","14.4588","0.0001","90","","104.344","0.001","90","","2205.93","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H34 Cl2 I2 N2 O4 -","- C51 H34 Cl2 I2 N2 O4 -","- C102 H68 Cl4 I4 N4 O8 -","2","1","","Wang, Ying; Yang, Yang; Xu, Shiyu; Huang, Aima; Chen, Lu; Xie, Yubao; Liu, Pengyutian; Hong, Liang; Li, Guofeng","Organocatalytic enantioselective construction of axially chiral (1<i>H</i>)-isochromen-1-imines.","Organic & biomolecular chemistry","2022","20","16","3277","3282","10.1039/d2ob00379a","","x-ray","1.54184","CuKα","","0.0271","0.026","","","0.0663","0.0698","","","","","","1.095","","","","has coordinates","275062","2022-05-05","20:55:02",""
"7158626","8.346","0.004","12.269","0.006","14.899","0.007","92.2","0.007","101.408","0.007","92.387","0.007","1492.5","1.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Cl2 N4 O5 -","- C36 H22 Cl2 N4 O5 -","- C72 H44 Cl4 N8 O10 -","2","1","","Mandal, Rahul Dev; Saha, Moumita; Das, Asish R.","Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp<sup>3</sup>)-O cross-coupling.","Organic & biomolecular chemistry","2022","20","14","2939","2963","10.1039/d2ob00381c","","","0.71073","MoKα","","0.057","0.0431","","","0.1278","0.16","","","","","","1.011","","","","has coordinates","274412","2022-04-07","00:34:55",""
"7158627","13.543","0.003","10.328","0.002","22.564","0.005","90","","100.723","0.004","90","","3101","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H23 Br N4 O5 -","- C36 H23 Br N4 O5 -","- C144 H92 Br4 N16 O20 -","4","1","","Mandal, Rahul Dev; Saha, Moumita; Das, Asish R.","Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp<sup>3</sup>)-O cross-coupling.","Organic & biomolecular chemistry","2022","20","14","2939","2963","10.1039/d2ob00381c","","","0.71073","MoKα","","0.0991","0.0509","","","0.1373","0.1749","","","","","","1.044","","","","has coordinates","274412","2022-04-07","00:34:56",""
"7158628","11.6817","0.0008","7.6497","0.0006","23.7774","0.0016","90","","90","","90","","2124.8","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C112 H72 N8 O16 -","8","1","","Mandal, Rahul Dev; Saha, Moumita; Das, Asish R.","Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp<sup>3</sup>)-O cross-coupling.","Organic & biomolecular chemistry","2022","20","14","2939","2963","10.1039/d2ob00381c","","","0.71073","MoKα","","0.0358","0.031","","","0.1088","0.1199","","","","","","0.936","","","","has coordinates","274412","2022-04-07","00:34:56",""
"7158629","10.0081","0.0009","12.9824","0.0011","17.1316","0.0016","90","","93.944","0.003","90","","2220.6","0.3","294","2","294","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cl F6 I N O P -","- C21 H18 Cl F6 I N O P -","- C84 H72 Cl4 F24 I4 N4 O4 P4 -","4","1","","Wong, Man Kin; Cui, Jian-Fang; Yu, Qiong; O, Wa-Yi; Huang, Liwu; Yang, Bin","Synthesis of 1H-Isoindoliums by Electrophile-Mediated Cascade Cyclization/Iodination of Propargylamine-based 1,6-Diynes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00316C","","","0.71073","MoKα","","0.0799","0.0622","","","0.1739","0.1851","","","","","","1","","","","has coordinates","274422","2022-04-08","00:35:25",""
"7158630","23.784","0.003","18.643","0.002","7.321","0.0009","90","","90.762","0.003","90","","3245.9","0.7","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Cl3 F3 N2 O5 -","- C35 H26 Cl3 F3 N2 O5 -","- C140 H104 Cl12 F12 N8 O20 -","4","1","","Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.","Organic & biomolecular chemistry","2022","20","17","3564","3569","10.1039/d2ob00483f","","","0.71073","MoKα","","0.2177","0.0888","","","0.1412","0.1706","","","","","","1.142","","","","has coordinates,has disorder","275053","2022-05-05","20:53:35",""
"7158631","15.582","0.003","12.447","0.003","22.472","0.005","90","","90","","90","","4358.4","1.7","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H13 F3 N6 O2 -","- C24 H13 F3 N6 O2 -","- C192 H104 F24 N48 O16 -","8","1","","Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.","Organic & biomolecular chemistry","2022","20","17","3564","3569","10.1039/d2ob00483f","","","0.71073","MoKα","","0.2218","0.1079","","","0.223","0.2615","","","","","","1.098","","","","has coordinates","275053","2022-05-05","20:53:35",""
"7158632","28.4017","0.0014","10.6516","0.0005","14.9143","0.0008","90","","116.751","0.002","90","","4029","0.4","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H15 F3 N2 O4 -","- C22 H15 F3 N2 O4 -","- C176 H120 F24 N16 O32 -","8","2","","Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.","Organic & biomolecular chemistry","2022","20","17","3564","3569","10.1039/d2ob00483f","","","0.71073","MoKα","","0.0421","0.0376","","","0.0983","0.1007","","","","","","1.048","","","","has coordinates","275053","2022-05-05","20:53:35",""
"7158633","13.7128","0.0011","7.4784","0.0007","11.7095","0.0009","90","","96.628","0.007","90","","1192.78","0.17","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Liao, Hui; Huang, Zesheng; Zhu, Qiuhua","A simple Iodine-DMSO-promoted multicomponent reaction for the synthesis of 2,4-disubstituted dihydrotriazole-3-ones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00352J","","x-ray","1.54184","CuKα","","0.076","0.0458","","","0.1015","0.1213","","","","","","1.05","","","","has coordinates","274444","2022-04-09","00:46:46",""
"7158634","12.796","0.002","13.651","0.003","12.334","0.002","90","","117.073","0.006","90","","1918.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 -","- C24 H22 N2 -","- C96 H88 N8 -","4","1","","Ruan, Shuchen; Zhou, Chao; Li, Laiqiang; Wang, Lei; Liu, Jie; Li, Pinhua","Microwave-accelerated and benzoyl peroxide (BPO) initiated cyclization of 1,5-enynes having cyano groups with cyclic alkanes under metal-free conditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00430E","","","0.71073","MoKα","","0.0516","0.0421","","","0.1017","0.109","","","","","","1.037","","","","has coordinates","274466","2022-04-12","01:02:00",""
"7158635","10.1427","0.0017","14.521","0.003","13.705","0.002","90","","103.529","0.006","90","","1962.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","cz-1","","- C24 H22 N2 -","- C24 H22 N2 -","- C96 H88 N8 -","4","1","","Ruan, Shuchen; Zhou, Chao; Li, Laiqiang; Wang, Lei; Liu, Jie; Li, Pinhua","Microwave-accelerated and benzoyl peroxide (BPO) initiated cyclization of 1,5-enynes having cyano groups with cyclic alkanes under metal-free conditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00430E","","","0.71073","MoKα","","0.048","0.0446","","","0.1086","0.1119","","","","","","1.079","","","","has coordinates","274466","2022-04-12","01:02:00",""
"7158636","20.3525","0.0018","5.1265","0.0006","23.391","0.002","90","","111.209","0.004","90","","2275.2","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H11 F N2 O4 S -","- C8 H11 F N2 O4 S -","- C64 H88 F8 N16 O32 S8 -","8","1","","Yang, Wen-Fei; Shu, Tao; Chen, Hong-Ru; Qin, Hua-Li; Tang, Haolin","A cascade reaction for regioselective construction of pyrazole-containing aliphatic sulfonyl fluorides.","Organic & biomolecular chemistry","2022","20","17","3506","3510","10.1039/d2ob00515h","","","0.71073","MoKα","","0.126","0.074","","","0.1857","0.2077","","","","","","1.015","","","","has coordinates","275054","2022-05-05","20:53:42",""
"7158637","9.3467","0.001","15.2593","0.0017","16.6257","0.0018","66.179","0.007","79.925","0.008","88.526","0.009","2133.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 N O4 -","- C27 H18 N O4 -","- C108 H72 N4 O16 -","4","2","","Tan Uygun, Meltem; Menges, Nurettin","Synthesis of spiroindolenine-cyclopentenedione skeletons and their chemical behaviours: the first example of a lactone-type spiroindolenine structure.","Organic & biomolecular chemistry","2022","20","20","4161","4166","10.1039/d2ob00396a","","","0.71073","MoKα","","0.1897","0.0946","","","0.2608","0.3321","","","","","","1.075","","","","has coordinates","275828","2022-06-06","02:06:21",""
"7158638","5.8525","0.0002","13.9095","0.0004","34.562","0.0008","90","","90","","90","","2813.53","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O3 -","- C32 H38 N2 O3 -","- C128 H152 N8 O12 -","4","1","","Glavaš, Mladena; Gredičak, Matija; Stefanic, Zoran; Jerić, Ivanka","Synthesis of 14-membered enediyne-embedded macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00090C","","x-ray","1.54184","CuKα","","0.062","0.0468","","","0.1022","0.1166","","","","","","1.057","","","","has coordinates","274544","2022-04-15","00:40:54",""
"7158639","11.4922","0.0004","11.9793","0.0004","12.31","0.0004","91.779","0.002","96.053","0.003","91.867","0.003","1683.34","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C39 H42 N2 O4 -","- C39 H42 N2 O4 -","- C78 H84 N4 O8 -","2","2","","Glavaš, Mladena; Gredičak, Matija; Stefanic, Zoran; Jerić, Ivanka","Synthesis of 14-membered enediyne-embedded macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00090C","","x-ray","1.54184","CuKα","","0.0809","0.0749","","","0.2022","0.219","","","","","","1.079","","","","has coordinates","274544","2022-04-15","00:40:54",""
"7158640","6.554","0.0006","12.6859","0.0012","23.2169","0.0021","90","","97.357","0.004","90","","1914.4","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N-(adamantan-1-yl)pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-5-amine","","- C24 H24 N4 -","- C24 H24 N4 -","- C96 H96 N16 -","4","1","","Stahlberger, M.; Steinlein, O.; Adam, C. R.; Rotter, M.; Hohmann, J.; Nieger, M.; Köberle, B; Bräse, S","Fluorescent annulated imidazo[4,5-<i>c</i>]isoquinolines <i>via</i> a GBB-3CR/imidoylation sequence - DNA-interactions in pUC-19 gel electrophoresis mobility shift assay.","Organic & biomolecular chemistry","2022","20","17","3598","3604","10.1039/d2ob00372d","","","1.54178","CuKα","","0.0418","0.0385","","","0.0942","0.0969","","","","","","1.035","","","","has coordinates","275058","2022-05-05","20:54:32",""
"7158641","7.7193","0.0002","19.0741","0.0006","10.7854","0.0003","90","","103.055","0.001","90","","1546.98","0.08","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-cyclohexylpyrazino[2',1':2,3]imidazo[4,5-c]isoquinolin-5-amine","","- C19 H19 N5 -","- C19 H19 N5 -","- C76 H76 N20 -","4","1","","Stahlberger, M.; Steinlein, O.; Adam, C. R.; Rotter, M.; Hohmann, J.; Nieger, M.; Köberle, B; Bräse, S","Fluorescent annulated imidazo[4,5-<i>c</i>]isoquinolines <i>via</i> a GBB-3CR/imidoylation sequence - DNA-interactions in pUC-19 gel electrophoresis mobility shift assay.","Organic & biomolecular chemistry","2022","20","17","3598","3604","10.1039/d2ob00372d","","","1.54178","CuKα","","0.0346","0.034","","","0.0848","0.0852","","","","","","1.03","","","","has coordinates","275058","2022-05-05","20:54:34",""
"7158642","10.3432","0.001","11.855","0.009","12.43","0.009","79.657","0.015","66.16","0.02","74.86","0.04","1341","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N3 O3 -","- C34 H28 N3 O3 -","- C68 H56 N6 O6 -","2","1","","Cheng, Ya-Long; Wu, Guoqing; Zang, Yong-Jun; Hu, Yuan-Yang; Qin, Lu-Zhe; Wen, Xiaoan; Xu, Qing-Long","Diversity synthesis of indole derivatives <i>via</i> catalyst control cyclization reaction of 2-indolylmethanols and azonaphthalene.","Organic & biomolecular chemistry","2022","20","19","3930","3939","10.1039/d2ob00516f","","","0.71073","MoKα","","0.2444","0.1549","","","0.2141","0.2436","","","","","","1.17","","","","has coordinates","275821","2022-06-06","02:03:36",""
"7158643","15.4317","0.001","13.3076","0.0008","15.3933","0.0011","90","","109.518","0.003","90","","2979.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N3 O4 -","- C37 H35 N3 O4 -","- C148 H140 N12 O16 -","4","1","","Cheng, Ya-Long; Wu, Guoqing; Zang, Yong-Jun; Hu, Yuan-Yang; Qin, Lu-Zhe; Wen, Xiaoan; Xu, Qing-Long","Diversity synthesis of indole derivatives <i>via</i> catalyst control cyclization reaction of 2-indolylmethanols and azonaphthalene.","Organic & biomolecular chemistry","2022","20","19","3930","3939","10.1039/d2ob00516f","","","0.71073","MoKα","","0.107","0.0763","","","0.1812","0.2081","","","","","","1.003","","","","has coordinates","275821","2022-06-06","02:03:39",""
"7158644","8.9864","0.0005","9.7311","0.0005","18.0784","0.0009","78.844","0.004","81.754","0.004","75.67","0.004","1495.17","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N3 O3 -","- C37 H33 N3 O3 -","- C74 H66 N6 O6 -","2","1","","Cheng, Ya-Long; Wu, Guoqing; Zang, Yong-Jun; Hu, Yuan-Yang; Qin, Lu-Zhe; Wen, Xiaoan; Xu, Qing-Long","Diversity synthesis of indole derivatives <i>via</i> catalyst control cyclization reaction of 2-indolylmethanols and azonaphthalene.","Organic & biomolecular chemistry","2022","20","19","3930","3939","10.1039/d2ob00516f","","","1.54178","CuKα","","0.0635","0.0583","","","0.1712","0.1763","","","","","","1.007","","","","has coordinates","275821","2022-06-06","02:03:49",""
"7158645","8.4393","0.0002","8.5659","0.0001","14.2744","0.0004","97.421","0.002","95.373","0.002","101.685","0.002","994.4","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C52 H36 N4 O6 -","2","1","","Penjarla, Thirupathi Reddy; Shukla, Adarash Kumar; Hazra, Rituparna; Roy, Durba; Kundarapu, Maheshwar; Dixit, Mudit; Bhattacharya, Anupam","Copper acetate catalysed C–C bond formation en route to the synthesis of spiro indanedione cyclopropylpyrazolones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02351A","","x-ray","1.54184","CuKα","","0.0581","0.0538","","","0.1566","0.1588","","","","","","1.115","","","","has coordinates","274599","2022-04-20","01:06:08",""
"7158646","12.837","0.0002","10.8345","0.0001","16.247","0.0002","90","","112.647","0.002","90","","2085.44","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11.56 H7.56 Cl0.44 N0.89 O1.33 -","- C11.5556 H7.55556 Cl0.444444 N0.888889 O1.33333 -","- C104 H68 Cl4 N8 O12 -","9","2.25","","Penjarla, Thirupathi Reddy; Shukla, Adarash Kumar; Hazra, Rituparna; Roy, Durba; Kundarapu, Maheshwar; Dixit, Mudit; Bhattacharya, Anupam","Copper acetate catalysed C–C bond formation en route to the synthesis of spiro indanedione cyclopropylpyrazolones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02351A","","x-ray","1.54184","CuKα","","0.0444","0.0415","","","0.1092","0.1115","","","","","","1.077","","","","has coordinates","274599","2022-04-20","01:06:09",""
"7158647","8.6434","0.0013","12.8669","0.0018","15.514","0.003","90","","99.534","0.008","90","","1701.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-sulfonyl-pyrazolo[1,5-a]pyridines","2-Phenyl-3-tosylpyrazolo[1,5-a]pyridine","","- C20 H16 N2 O2 S -","- C20 H16 N2 O2 S -","- C80 H64 N8 O8 S4 -","4","1","","Jannapu Reddy, Raju; Sharadha, Nunavath; Haritha Kumari, Arram","Base-mediated [3 + 2]-cycloannulation strategy for the synthesis of pyrazolo[1,5-a]pyridine derivatives using (E)-β-iodovinyl sulfones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00499B","","","0.71073","MoKα","","0.0368","0.0344","","","0.0966","0.1105","","","","","","1.164","","","","has coordinates","274651","2022-04-23","00:33:04",""
"7158648","8.8225","0.0003","20.5256","0.0008","11.2425","0.0004","90","","104.621","0.001","90","","1969.94","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Br F N3 O2 -","- C22 H17 Br F N3 O2 -","- C88 H68 Br4 F4 N12 O8 -","4","1","","Fu, Yiwei; Shi, Haoyu; Lei, Shengshu; Shi, Lei; Li, Hao","Cu catalyzed [4 + 2] cycloaddition for the synthesis of highly substituted 3-fluoropyridines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00133K","","","0.71073","MoKα","","0.0468","0.0325","","","0.079","0.0871","","","","","","1.03","","","","has coordinates","274673","2022-04-26","00:48:58",""
"7158649","7.1151","0.0001","8.4448","0.0001","21.3264","0.0002","90","","90","","90","","1281.41","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,1,2,2-tetramethyl-cyclobuta-quinolin-3(1H)-one","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Takagi, Ryukichi; Tanimoto, Takaaki","Enantioselective [2 + 2] photocycloaddition of quinolone using a <i>C</i><sub>1</sub>-symmetric chiral phosphoric acid as a visible-light photocatalyst.","Organic & biomolecular chemistry","2022","20","19","3940","3947","10.1039/d2ob00607c","","x-ray","1.54184","CuKα","","0.0304","0.0295","","","0.0765","0.0773","","","","","","1.02","","","","has coordinates","275820","2022-06-06","02:03:25",""
"7158650","20.4662","0.0003","20.4662","0.0003","5.0315","0.0001","90","","90","","90","","2107.52","0.06","100","0.1","100","0.1","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C21 H26 Co N2 O5 -","- C21 H26 Co N2 O5 -","- C84 H104 Co4 N8 O20 -","4","0.5","","Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","Synthesis of acyloin natural products by Mukaiyama hydration.","Organic & biomolecular chemistry","2022","20","19","4038","4047","10.1039/d2ob00651k","","x-ray","1.54184","CuKα","","0.0475","0.0393","","","0.0989","0.1077","","","","","","1.069","","","","has coordinates","275822","2022-06-06","02:04:06",""
"7158651","8.7844","0.0001","10.2193","0.0001","18.8935","0.0002","75.495","0.001","84.894","0.001","88.497","0.001","1635.49","0.03","99.96","0.02","99.96","0.02","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","2","","Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","Synthesis of acyloin natural products by Mukaiyama hydration.","Organic & biomolecular chemistry","2022","20","19","4038","4047","10.1039/d2ob00651k","","x-ray","0.71073","Synchrotron","","0.1028","0.0673","","","0.1844","0.212","","","","","","1.053","","","","has coordinates","275822","2022-06-06","02:04:16",""
"7158652","8.3632","0.0001","10.7798","0.0001","12.6342","0.0002","67.34","0.001","80.523","0.001","88.594","0.001","1035.8","0.02","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N2 O5 -","- C22 H30 N2 O5 -","- C44 H60 N4 O10 -","2","1","","Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","Synthesis of acyloin natural products by Mukaiyama hydration.","Organic & biomolecular chemistry","2022","20","19","4038","4047","10.1039/d2ob00651k","","x-ray","0.71073","MoKα","","0.0492","0.0408","","","0.1172","0.1223","","","","","","1.041","","","","has coordinates,has disorder","275822","2022-06-06","02:04:19",""
"7158653","7.9465","0.0001","26.3631","0.0003","11.4522","0.0002","90","","92.613","0.001","90","","2396.68","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Co N2 O6 -","- C26 H31 Co N2 O6 -","- C104 H124 Co4 N8 O24 -","4","1","","Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","Synthesis of acyloin natural products by Mukaiyama hydration.","Organic & biomolecular chemistry","2022","20","19","4038","4047","10.1039/d2ob00651k","","x-ray","0.71073","MoKα","","0.0942","0.0503","","","0.112","0.1269","","","","","","1.03","","","","has coordinates","275822","2022-06-06","02:04:25",""
"7158654","19.378","0.002","4.9594","0.0002","18.3832","0.0015","90","","116.058","0.012","90","","1587.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N5 O3 -","- C16 H21 N5 O3 -","- C64 H84 N20 O12 -","4","1","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","0.71073","MoKα","K-L~3~","0.0878","0.0542","","","0.1249","0.1447","","","","","","1.038","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7158655","7.2068","0.0002","15.1888","0.0003","15.2406","0.0002","74.263","0.002","85.817","0.002","76.699","0.002","1562.57","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N3 O3 S -","- C16 H19 N3 O3 S -","- C64 H76 N12 O12 S4 -","4","2","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","1.54178","CuKα","K-L~3~","0.0377","0.0362","","","0.1028","0.1054","","","","","","1.123","","","","has coordinates,has disorder","275823","2022-06-06","02:04:45",""
"7158656","7.1082","0.0001","14.5273","0.0002","31.578","0.0005","90","","90","","90","","3260.84","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N3 O4 -","- C17 H21 N3 O4 -","- C136 H168 N24 O32 -","8","2","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","1.54178","CuKα","K-L~3~","0.0592","0.0533","","","0.1274","0.1309","","","","","","1.086","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7158657","31.8053","0.0005","14.6164","0.0003","7.2574","0.0001","90","","90","","90","","3373.81","0.1","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H19 Cl N4 O3 -","- C17 H19 Cl N4 O3 -","- C136 H152 Cl8 N32 O24 -","8","1","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","0.71075","MoKα","K-L~3~","0.0419","0.034","","","0.086","0.0895","","","","","","1.026","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7158658","13.0873","0.0002","12.461","0.0002","14.1989","0.0002","90","","95.111","0.002","90","","2306.36","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N3 O4 -","- C26 H31 N3 O4 -","- C104 H124 N12 O16 -","4","1","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","0.71075","MoKα","","0.0597","0.0496","","","0.133","0.139","","","","","","1.026","","","","has coordinates,has disorder","275823","2022-06-06","02:04:45",""
"7158659","14.5932","0.0001","7.2583","0.0001","31.5918","0.0004","90","","102.749","0.001","90","","3263.76","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 F N4 O3 -","- C17 H19 F N4 O3 -","- C136 H152 F8 N32 O24 -","8","2","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","1.54178","CuKα","K-L~3~","0.046","0.0424","","","0.1036","0.1054","","","","","","1.117","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7158660","36.572","0.004","5.7581","0.0006","18.4236","0.0019","90","","106.802","0.003","90","","3714.1","0.7","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","1","","Wan, Huiyang; Xia, Shuangshuang; Liu, Xinghua; Jian, Yongchan; An, Yuanyuan; Wang, Yubin","Synthesis of spirocyclic oxazole derivatives from 2-arylidene cycloalkanones and α-halohydroxamates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00701K","","","0.71073","MoKα","","0.065","0.0471","","","0.1103","0.1209","","","","","","1.042","","","","has coordinates","274825","2022-05-03","01:06:36",""
"7158661","16.161","0.003","11.81","0.002","18.957","0.003","90","","100.689","0.003","90","","3555.4","1.1","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2-(4-(3,3-dicyano-1-(1H-indol-1-yl)allylidene)cyclohexa-2,5-dien-1-ylidene)malononitrile","MJ 2-12-1","","- C22 H11 N5 -","- C22 H11 N5 -","- C176 H88 N40 -","8","1","","Huang, Shuangping; Ma, Jing; Yi, Yikun; Li, Mingtao; Cai, Ping; Wu, Na","Synthesis of orthogonal push-pull chromophores <i>via</i> click reaction of arylynamines.","Organic & biomolecular chemistry","2022","20","20","4081","4085","10.1039/d2ob00677d","","","0.71073","MoKα","","0.0778","0.0532","","","0.1293","0.1459","","","","","","0.946","","","","has coordinates","275831","2022-06-06","02:06:40",""
"7158662","15.5676","0.0005","13.8531","0.0003","26.8877","0.001","90","","99.841","0.003","90","","5713.3","0.3","99.99","0.1","99.99","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C34 H32 O10 -","- C34 H32 O10 -","- C272 H256 O80 -","8","1","","Zhou, Tingting; Zheng, Anquan; Zhang, Wenge; Lu, Xiuxiang; Chen, Huiyu; Tan, Haibo","Concise total syntheses of two flavans and structure revision assisted by quantum NMR calculations.","Organic & biomolecular chemistry","2022","20","20","4096","4100","10.1039/d2ob00634k","","x-ray","1.54184","CuKα","","0.0845","0.061","","","0.149","0.1618","","","","","","1.057","","","","has coordinates,has disorder","275830","2022-06-06","02:06:34",""
"7158663","9.581","0.001","11.381","0.001","10.941","0.001","90","","103.15","0.02","90","","1161.7","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Bhukta, Swadhapriya; Chatterjee, Rana; Dandela, Rambabu","Iodine-TBHP mediated efficient synthesis of α-ketoamides from vinyl azides and amines under mild conditions.","Organic & biomolecular chemistry","2022","20","19","3907","3912","10.1039/d2ob00458e","","","0.71073","MoKα","","0.069","0.051","","","0.1508","0.1715","","","","","","0.955","","","","has coordinates","275824","2022-06-06","02:04:51",""
"7158664","9.6026","0.0002","12.0411","0.0003","14.2206","0.0004","90","","90","","90","","1644.27","0.07","100","0.3","100","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N3 -","- C19 H27 N3 -","- C76 H108 N12 -","4","1","","Mikshiev, Vladimir Y.; Tolstoy, Peter; Puzyk, Aleksandra M.; Kirichenko, Sergey O.; Antonov, Alexander S.","peri-Interactions in 1,8-bis(dimethylamino)naphthalene ortho-ketimine cations facilitate [1,5]-hydride shift: selective synthesis of 1,2,3,4-tetrahydrobenzo[h]quinazolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00674J","","x-ray","1.54184","CuKα","","0.0366","0.0335","","","0.09","0.0918","","","","","","1.052","","","","has coordinates","274903","2022-05-05","00:36:14",""
"7158665","8.974","0.0003","10.1567","0.0003","11.2275","0.0003","72.713","0.002","89.359","0.002","80.928","0.002","964.2","0.05","99.8","0.9","100","2","","","","","","","","3","P -1","-P 1","2","","N,N,1-trimethyl-4-(naphthalen-1-yl)-1,2,3,4-tetrahydrobenzo[h]quinazolin-10-amine","","- C25 H25 N3 -","- C25 H25 N3 -","- C50 H50 N6 -","2","1","","Mikshiev, Vladimir Y.; Tolstoy, Peter; Puzyk, Aleksandra M.; Kirichenko, Sergey O.; Antonov, Alexander S.","peri-Interactions in 1,8-bis(dimethylamino)naphthalene ortho-ketimine cations facilitate [1,5]-hydride shift: selective synthesis of 1,2,3,4-tetrahydrobenzo[h]quinazolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00674J","","x-ray","1.54184","CuKα","","0.0469","0.042","","","0.1144","0.1199","","","","","","1.057","","","","has coordinates","274903","2022-05-05","00:36:15",""
"7158666","7.6918","0.0002","7.7847","0.0002","13.7184","0.0003","90.026","0.002","97.054","0.002","114.557","0.003","740.27","0.04","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O S -","- C19 H14 N2 O S -","- C38 H28 N4 O2 S2 -","2","1","","Meena, Neha; Dhiman, Shiv; Rangan, Krishnan; Kumar, Anil","Cobalt-catalyzed tandem one-pot synthesis of polysubstituted imidazo[1,5-<i>a</i>]pyridines and imidazo[1,5-<i>a</i>]isoquinolines.","Organic & biomolecular chemistry","2022","20","20","4215","4223","10.1039/d2ob00526c","","x-ray","1.54184","CuKα","","0.0505","0.0487","","","0.1375","0.1397","","","","","","1.113","","","","has coordinates,has disorder","275829","2022-06-06","02:06:26",""
"7158667","8.1752","0.0001","10.1853","0.0001","22.075","0.0002","90","","90","","90","","1838.12","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Hu, Jinhua; Zhang, Wenge; Tan, Haibo; Li, Saini; Gao, Xiaoxia; Liu, Zhaoming; Wang, Yanlin; Liu, Hong-Xin; Zhang, Weimin","Neocucurbins A-G, novel macrocyclic diterpenes and their derivatives from Neocucurbitaria unguis-hominis FS685","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00585A","","x-ray","1.54184","CuKα","","0.0289","0.0287","","","0.0714","0.0716","","","","","","1.066","","","","has coordinates,has disorder","275091","2022-05-06","00:29:57",""
"7158668","13.9823","0.0004","7.7311","0.0002","17.3343","0.0005","90","","92.675","0.003","90","","1871.77","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","2","","Hu, Jinhua; Zhang, Wenge; Tan, Haibo; Li, Saini; Gao, Xiaoxia; Liu, Zhaoming; Wang, Yanlin; Liu, Hong-Xin; Zhang, Weimin","Neocucurbins A-G, novel macrocyclic diterpenes and their derivatives from Neocucurbitaria unguis-hominis FS685","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00585A","","x-ray","1.54184","CuKα","","0.0894","0.0811","","","0.202","0.2126","","","","","","1.041","","","","has coordinates","275091","2022-05-06","00:29:58",""
"7158669","15.3058","0.0005","6.108","0.0002","28.2912","0.0009","90","","101.503","0.003","90","","2591.76","0.15","298","","298","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 O5 -","- C16 H10 O5 -","- C128 H80 O40 -","8","1","","Si, Min; Yan, Jiaqi; Ding, Yongzheng; Huang, Hanmin","Pd-Catalyzed carbonylative lactonization of 2-halidearomatic aldehydes with H<sub>2</sub>O as a nucleophile.","Organic & biomolecular chemistry","2022","20","19","3917","3921","10.1039/d2ob00623e","","x-ray","1.54184","CuKα","","0.0444","0.0382","","","0.0985","0.1044","","","","","","1.0486","","","","has coordinates","275819","2022-06-06","02:03:17",""
"7158670","4.4392","0.0001","6.5027","0.0001","22.2547","0.0003","90","","91.313","0.001","90","","642.25","0.02","298","","298","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H10 O5 -","- C16 H10 O5 -","- C32 H20 O10 -","2","1","","Si, Min; Yan, Jiaqi; Ding, Yongzheng; Huang, Hanmin","Pd-Catalyzed carbonylative lactonization of 2-halidearomatic aldehydes with H<sub>2</sub>O as a nucleophile.","Organic & biomolecular chemistry","2022","20","19","3917","3921","10.1039/d2ob00623e","","x-ray","1.54184","CuKα","","0.0284","0.0283","","","0.0744","0.0747","","","","","","1.1546","","","","has coordinates","275819","2022-06-06","02:03:17",""
"7158671","9.5567","0.0001","18.5529","0.0003","9.7023","0.0001","90","","91.647","0.001","90","","1719.55","0.04","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F6 N3 O -","- C17 H17 F6 N3 O -","- C68 H68 F24 N12 O4 -","4","1","","Fukumoto, Yuri; Umeno, Tomohiro; Kuramochi, Hina; Hamada, Koichi; Matsumoto, Shota; Suzuki, Noriko; Usui, Kazuteru; Mizutani, Akihiro; Karasawa, Satoru","Acid Responsiveness of Emissive Morpholinyl Aminoquinolines and Their Use for Cell Fluorescence Imaging","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00546H","","x-ray","1.54184","CuKα","","0.0424","0.0385","","","0.1074","0.1114","","","","","","1.063","","","","has coordinates","275169","2022-05-07","00:28:09",""
"7158672","6.1777","0.0002","8.801","0.0003","22.3052","0.0008","81.551","0.003","85.313","0.003","80.624","0.003","1181.47","0.07","93","","93","","","","","","","","","6","P -1","-P 1","2","","FY-005_7","","- C19 H22 F12 N3 O P -","- C19 H22 F12 N3 O P -","- C38 H44 F24 N6 O2 P2 -","2","1","","Fukumoto, Yuri; Umeno, Tomohiro; Kuramochi, Hina; Hamada, Koichi; Matsumoto, Shota; Suzuki, Noriko; Usui, Kazuteru; Mizutani, Akihiro; Karasawa, Satoru","Acid Responsiveness of Emissive Morpholinyl Aminoquinolines and Their Use for Cell Fluorescence Imaging","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00546H","","x-ray","1.54184","CuKα","","0.094","0.0708","","","0.1978","0.2158","","","","","","1.044","","","","has coordinates","275169","2022-05-07","00:28:10",""
"7158673","55.7279","0.0019","8.6632","0.0002","9.3599","0.0003","90","","90","","90","","4518.8","0.2","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","FY-005_3","","- C18.5 H22 F12 N3 O1.5 P -","- C18.5 H22 F12 N3 O1.5 P -","- C148 H176 F96 N24 O12 P8 -","8","2","","Fukumoto, Yuri; Umeno, Tomohiro; Kuramochi, Hina; Hamada, Koichi; Matsumoto, Shota; Suzuki, Noriko; Usui, Kazuteru; Mizutani, Akihiro; Karasawa, Satoru","Acid Responsiveness of Emissive Morpholinyl Aminoquinolines and Their Use for Cell Fluorescence Imaging","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00546H","","x-ray","1.54184","CuKα","","0.1125","0.0834","","","0.2318","0.2608","","","","","","1.036","","","","has coordinates,has disorder","275169","2022-05-07","00:28:10",""
"7158674","5.5656","0.0002","18.4733","0.0005","22.5869","0.0007","90","","90.732","0.003","90","","2322.08","0.13","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 F6 N4 O2 -","- C23 H28 F6 N4 O2 -","- C92 H112 F24 N16 O8 -","4","1","","Fukumoto, Yuri; Umeno, Tomohiro; Kuramochi, Hina; Hamada, Koichi; Matsumoto, Shota; Suzuki, Noriko; Usui, Kazuteru; Mizutani, Akihiro; Karasawa, Satoru","Acid Responsiveness of Emissive Morpholinyl Aminoquinolines and Their Use for Cell Fluorescence Imaging","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00546H","","x-ray","1.54184","CuKα","","0.0748","0.0681","","","0.1824","0.1877","","","","","","1.07","","","","has coordinates","275169","2022-05-07","00:28:10",""
"7158675","19.615","0.004","6.752","0.0014","13.402","0.003","90","","114.86","0.03","90","","1610.5","0.7","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H50 N4 O11 -","- C28 H50 N4 O11 -","- C56 H100 N8 O22 -","2","0.5","","Bellotto, Ottavia; Pierri, Giovanni; Rozhin, Petr; Polentarutti, Maurizio; Kralj, Slavko; D'Andrea, Paola; Tedesco, Consiglia; Marchesan, Silvia","Dipeptide self-assembly into water-channels and gel biomaterial","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00622G","","","0.7","Synchrotron","","0.0263","0.0262","","","0.0713","0.0714","","","","","","1.065","","","","has coordinates","275170","2022-05-07","00:29:02",""
"7158676","22.947","0.003","22.947","0.003","5.612","0.0011","90","","90","","90","","2955.1","0.8","100","2","100","","","","","","","","","4","I 4","I 4","79","","","","- C56 H88 N8 O16 -","- C56 H80 N8 O16 -","- C112 H160 N16 O32 -","2","0.25","","Bellotto, Ottavia; Pierri, Giovanni; Rozhin, Petr; Polentarutti, Maurizio; Kralj, Slavko; D'Andrea, Paola; Tedesco, Consiglia; Marchesan, Silvia","Dipeptide self-assembly into water-channels and gel biomaterial","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00622G","","","0.7","Synchrotron","","0.102","0.0661","","","0.1683","0.1921","","","","","","1.043","","","","has coordinates,has disorder","275170","2022-05-07","00:29:03",""
"7158677","17.402","0.004","11.109","0.002","25.127","0.01","90","","101.82","0.03","90","","4755","2","290","","290","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C27 H23 N3 O3 S -","- C27 H23 N3 O3 S -","- C216 H184 N24 O24 S8 -","8","1","","Yavari, Issa; Ghorbanzadeh , Meysam; Akbarzadeh, Somayeh","A synthesis of 2-amino-3-cyanopyrroles from terminal alkynes, sulfonyl azides and phenacylmalononitriles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00277A","","x-ray","0.71073","MoKα","","0.0628","0.0512","","","0.1263","0.1318","","","","","","1.089","","","","has coordinates","275211","2022-05-08","00:16:45",""
"7158678","10.5429","0.0011","10.9205","0.001","11.7539","0.0012","65.707","0.01","75.725","0.009","64.564","0.01","1109.9","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 N O3 P -","- C29 H20 N O3 P -","- C58 H40 N2 O6 P2 -","2","1","","Peng, Lingteng; Hu, Zhifang; Zhao, Yanting; Peng, Lifen; Xu, Zhi; Yin, Shuang-Feng; Tang, Zilong; Qiu, Renhua; Kambe, Nobuaki","One-pot synthesis of phosphorylnaphth[2,1-<i>d</i>]oxazoles and products as P,N-ligands in C-N and C-C formation.","Organic & biomolecular chemistry","2022","20","20","4110","4114","10.1039/d2ob00565d","","x-ray","0.71073","MoKα","","0.0484","0.0408","","","0.0927","0.098","","","","","","1.016","","","","has coordinates","275827","2022-06-06","02:06:06",""
"7158679","7.1188","0.0002","10.3636","0.0003","12.8288","0.0004","101.608","0.003","91.454","0.002","100.64","0.003","909.24","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (2R)-3-hydroxy-2-methyl-3-(4-(trifluoromethyl)phenyl)-2-(3,4,5-trifluorophenyl)propanoate","","- C19 H16 F6 O3 -","- C19 H16 F6 O3 -","- C38 H32 F12 O6 -","2","1","","Kaehler, Tanja; Lorenz, Jonas; Ould, Darren; Engl, Dorothea; Santi, Micol; Gierlichs, Lukas; Wirth, Thomas; Melen, Rebecca","Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00643J","","x-ray","1.54184","CuKα","","0.0668","0.0553","","","0.1386","0.1468","","","","","","1.047","","","","has coordinates,has disorder","275286","2022-05-10","00:31:17",""
"7158680","9.1068","0.0003","13.2125","0.0004","18.2143","0.0007","90","","93.148","0.003","90","","2188.3","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-ethoxy-6-(4-fluorophenyl)-2,2-bis(perfluorophenyl)-2<i>H</i>-1,3λ^3^,2λ^4^-dioxaborinine","","- C23 H10 B F11 O3 -","- C23 H10 B F11 O3 -","- C92 H40 B4 F44 O12 -","4","1","","Kaehler, Tanja; Lorenz, Jonas; Ould, Darren; Engl, Dorothea; Santi, Micol; Gierlichs, Lukas; Wirth, Thomas; Melen, Rebecca","Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00643J","","","1.54178","CuKα","","0.0571","0.041","","","0.1062","0.1197","","","","","","1.022","","","","has coordinates","275286","2022-05-10","00:31:18",""
"7158681","5.8206","0.0003","17.0082","0.0009","18.1536","0.001","63.134","0.005","87.435","0.004","88.496","0.004","1601.55","0.16","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","ethyl (2S,3R)-3-(4-fluorophenyl)-3-hydroxy-2-(perfluorophenyl)propanoate","","- C17 H12 F6 O3 -","- C17 H12 F6 O3 -","- C68 H48 F24 O12 -","4","2","","Kaehler, Tanja; Lorenz, Jonas; Ould, Darren; Engl, Dorothea; Santi, Micol; Gierlichs, Lukas; Wirth, Thomas; Melen, Rebecca","Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00643J","","","0.71073","MoKα","","0.105","0.0594","","","0.1408","0.1702","","","","","","1.037","","","","has coordinates","275286","2022-05-10","00:31:18",""
"7158682","8.0494","0.0007","9.9716","0.0007","11.4118","0.0007","113.593","0.006","103.792","0.007","90.918","0.007","808.79","0.12","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","ethyl(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)propanoate","","- C18 H16 F4 O3 -","- C18 H16 F4 O3 -","- C36 H32 F8 O6 -","2","1","","Kaehler, Tanja; Lorenz, Jonas; Ould, Darren; Engl, Dorothea; Santi, Micol; Gierlichs, Lukas; Wirth, Thomas; Melen, Rebecca","Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00643J","","","0.71073","MoKα","","0.0566","0.0383","","","0.081","0.0922","","","","","","1.039","","","","has coordinates","275286","2022-05-10","00:31:18",""
"7158683","7.8551","0.0004","7.9171","0.0004","17.1195","0.0013","101.373","0.006","99.385","0.005","101.484","0.005","999.91","0.11","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","(Z)-2-(perfluorophenyl)-1-(o-tolyl)prop-1-en-1-yl 2-methylbenzoate","","- C24 H17 F5 O2 -","- C24 H17 F5 O2 -","- C48 H34 F10 O4 -","2","1","","Kaehler, Tanja; Lorenz, Jonas; Ould, Darren; Engl, Dorothea; Santi, Micol; Gierlichs, Lukas; Wirth, Thomas; Melen, Rebecca","Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00643J","","","0.71073","MoKα","","0.1181","0.0875","","","0.2336","0.2558","","","","","","1.094","","","","has coordinates","275286","2022-05-10","00:31:18",""
"7158684","9.452","0.0005","10.4243","0.0009","10.936","0.0007","71.015","0.007","74.269","0.005","66.462","0.007","921.66","0.12","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","ethyl (2S,3R)-3-hydroxy-2-methyl-2-(perfluorophenyl)-3-(4-(trifluoromethyl)phenyl)propanoate","","- C19 H14 F8 O3 -","- C19 H14 F8 O3 -","- C38 H28 F16 O6 -","2","1","","Kaehler, Tanja; Lorenz, Jonas; Ould, Darren; Engl, Dorothea; Santi, Micol; Gierlichs, Lukas; Wirth, Thomas; Melen, Rebecca","Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00643J","","","0.71073","MoKα","","0.0503","0.0379","","","0.0881","0.0967","","","","","","1.047","","","","has coordinates,has disorder","275286","2022-05-10","00:31:18",""
"7158685","8.5101","0.0003","9.0807","0.0003","9.5903","0.0003","77.657","0.001","83.055","0.001","88.402","0.001","718.67","0.04","170","2","170.02","","","","","","","","","4","P -1","-P 1","2","","avicenine A","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Ji, Kai-Long; Liu, Wei; Yin, Wei-Hang; Li, Jing-Ya; Yue, Jian-Min","Quinoline alkaloids with anti-inflammatory activity from <i>Zanthoxylum avicennae</i>.","Organic & biomolecular chemistry","2022","20","20","4176","4182","10.1039/d2ob00711h","","","1.34139","GaKα","","0.0425","0.0391","","","0.1024","0.1055","","","","","","1.046","","","","has coordinates","275826","2022-06-06","02:05:42",""
"7158686","9.7252","0.0004","7.2357","0.0003","10.0005","0.0004","90","","98.737","0.002","90","","695.56","0.05","170","2","170.04","","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-avicenine A","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C30 H34 N2 O10 -","2","1","","Ji, Kai-Long; Liu, Wei; Yin, Wei-Hang; Li, Jing-Ya; Yue, Jian-Min","Quinoline alkaloids with anti-inflammatory activity from <i>Zanthoxylum avicennae</i>.","Organic & biomolecular chemistry","2022","20","20","4176","4182","10.1039/d2ob00711h","","","1.34139","GaKα","","0.0401","0.0351","","","0.0812","0.0869","","","","","","1.051","","","","has coordinates","275826","2022-06-06","02:05:54",""
"7158687","8.5948","0.0003","8.5216","0.0003","18.7212","0.0006","90","","100.035","0.001","90","","1350.19","0.08","170","2","169.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-Myrtopsine","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","2","","Ji, Kai-Long; Liu, Wei; Yin, Wei-Hang; Li, Jing-Ya; Yue, Jian-Min","Quinoline alkaloids with anti-inflammatory activity from <i>Zanthoxylum avicennae</i>.","Organic & biomolecular chemistry","2022","20","20","4176","4182","10.1039/d2ob00711h","","","1.34139","GaKα","","0.0361","0.0331","","","0.0843","0.0874","","","","","","1.065","","","","has coordinates","275826","2022-06-06","02:05:56",""
"7158688","10.2432","0.0006","11.1049","0.0006","11.684","0.0006","72.079","0.005","78.101","0.005","83.806","0.005","1235.98","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 Cl3 N3 O2 S -","- C27 H20 Cl3 N3 O2 S -","- C54 H40 Cl6 N6 O4 S2 -","2","1","","Pan, Bin; Li, Ao; Liu, Dong; Ni, QingShan; Liang, Wu; Du, Fei; Gu, Jing; ouyang, qin","Highly Diastereoselective Synthesis of Benzothiazolo[3,2-a]pyridines via [4 + 2] Annulation Reaction of 2-Vinylbenzothiazoles and Azlactones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00618A","","x-ray","0.71073","MoKα","","0.0642","0.0437","","","0.1011","0.1145","","","","","","1.04","","","","has coordinates","275315","2022-05-11","00:34:54",""
"7158689","13.649","0.003","14.265","0.003","11.97","0.002","90","","112.46","0.03","90","","2153.8","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O6 S -","- C24 H19 N O6 S -","- C96 H76 N4 O24 S4 -","4","1","","Zhaojiang, Shi; Li, Nan; Wang, Wei-Zhen; Lu, Hao-Kuan; Yuan, Yaofeng; Li, Zhen; Ye, Ke-Yin","Electrochemical 5-exo-dig aza-cyclization of 2-alkynylbenzamides toward 3-hydroxyisoindolinone derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00637E","","","0.71073","MoKα","","0.1274","0.0492","","","0.0902","0.1075","","","","","","1.028","","","","has coordinates","275316","2022-05-11","00:35:37",""
"7158690","6.887","0.0004","8.0452","0.0006","12.486","0.001","91.227","0.003","91.751","0.003","113.005","0.002","636.08","0.08","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 Br O3 -","- C15 H11 Br O3 -","- C30 H22 Br2 O6 -","2","1","","Zhaojiang, Shi; Li, Nan; Wang, Wei-Zhen; Lu, Hao-Kuan; Yuan, Yaofeng; Li, Zhen; Ye, Ke-Yin","Electrochemical 5-exo-dig aza-cyclization of 2-alkynylbenzamides toward 3-hydroxyisoindolinone derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00637E","","","0.71073","MoKα","","0.1005","0.0467","","","0.0997","0.1145","","","","","","1.026","","","","has coordinates","275316","2022-05-11","00:35:37",""
"7158691","7.106","0.01","7.215","0.011","13.194","0.019","104.92","0.06","94.22","0.07","111.29","0.06","598.5","1.6","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H9 Br O2 -","- C15 H9 Br O2 -","- C30 H18 Br2 O4 -","2","1","","Zhaojiang, Shi; Li, Nan; Wang, Wei-Zhen; Lu, Hao-Kuan; Yuan, Yaofeng; Li, Zhen; Ye, Ke-Yin","Electrochemical 5-exo-dig aza-cyclization of 2-alkynylbenzamides toward 3-hydroxyisoindolinone derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00637E","","","0.71073","MoKα","","0.0572","0.0423","","","0.0973","0.1036","","","","","","1.082","","","","has coordinates","275316","2022-05-11","00:35:37",""
"7158692","10.8392","0.001","6.9083","0.0006","13.2119","0.0011","90","","108.035","0.003","90","","940.71","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 N2 O4 -","- C21 H14 N2 O4 -","- C42 H28 N4 O8 -","2","1","","Naharwal, Sushma; Karishma, Pidiyara; Mahesha, Chikkagundagal K.; Bajaj, Kiran; Mandal, Sanjay; Sakhuja, Rajeev","Ruthenium-Catalyzed (Spiro)Annulation of N-Aryl-2,3-dihydrophthalazine-1,4-diones with Quinones to Access Pentacyclic Spiro-Indazolones and Fused-Cinnolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00493C","","","0.71073","MoKα","","0.1613","0.1454","","","0.3853","0.4103","","","","","","1.706","","","","has coordinates","275355","2022-05-12","00:35:57",""
"7158693","14.6927","0.0006","6.0979","0.0002","20.1721","0.0008","90","","104.333","0.001","90","","1751.06","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","chlorophenyl phenyl phenylsalanyl oxazol","3-(4-chlorophenyl)-5-phenyl-4-(phenylsalanyl)oxazol-3(3H)-one","","- C21 H14 Cl N O2 Se -","- C21 H14 Cl N O2 Se -","- C84 H56 Cl4 N4 O8 Se4 -","4","1","","Goulart, Tales; Recchi, Ana; Back, Davi Fernando; Zeni, Gilson","Synthesis of 4-(Organoselenyl) Oxazolones via Cyclization of N-Alkynyl Ethylcarbamates Promoted by Organoselenium","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00682K","","","0.71073","MoKα","","0.0195","0.0178","","","0.0466","0.0479","","","","","","1.062","","","","has coordinates","275390","2022-05-13","00:39:45",""
"7158694","9.928","0.002","11.674","0.002","12.353","0.003","81.04","0.03","82.19","0.03","78.4","0.03","1377.2","0.5","163","2","163.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N3 O4 S -","- C31 H34 N3 O4 S -","- C62 H68 N6 O8 S2 -","2","1","","Mao, Biming; Xu, Jiaqing; Shi, Wangyu; Wang, Wei; Wu, Yongjun; Xiao, Yumei; Guo, Hongchao","Pd-Catalyzed [4 + 2] cycloaddition of methylene cyclic carbamates with dihydropyrazolone-derived alkenes: synthesis of spiropyrazolones.","Organic & biomolecular chemistry","2022","20","20","4086","4090","10.1039/d2ob00535b","","","0.71073","MoKα","","0.0635","0.0575","","","0.141","0.1452","","","","","","1.115","","","","has coordinates","275832","2022-06-06","02:06:45",""
"7158695","9.868","0.002","11.707","0.002","12.318","0.003","80.18","0.03","82.46","0.03","76.91","0.03","1359.4","0.5","163","2","163.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H68 N6 O6 S2 -","- C62 H68 N6 O6 S2 -","- C62 H68 N6 O6 S2 -","1","0.5","","Mao, Biming; Xu, Jiaqing; Shi, Wangyu; Wang, Wei; Wu, Yongjun; Xiao, Yumei; Guo, Hongchao","Pd-Catalyzed [4 + 2] cycloaddition of methylene cyclic carbamates with dihydropyrazolone-derived alkenes: synthesis of spiropyrazolones.","Organic & biomolecular chemistry","2022","20","20","4086","4090","10.1039/d2ob00535b","","","0.71073","MoKα","","0.076","0.0696","","","0.1819","0.1877","","","","","","1.095","","","","has coordinates","275832","2022-06-06","02:06:46",""
"7158696","8.777","0.004","9.47","0.004","10.205","0.004","110.956","0.01","90.069","0.01","90.054","0.01","792.1","0.6","293","","293","","","","","","","","","5","P 1","P 1","1","","(S)-4-((R)-3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl)-4-phenyl-1,3-dioxolan-2-one","","- C18 H14 Cl N O4 -","- C18 H14 Cl N O4 -","- C36 H28 Cl2 N2 O8 -","2","2","","Sathish, Elagandhula; Ansari, Arshad J.; Joshi, Gaurav; Pandit, Akansha; Shukla, Monika; Kumari, Neha; Sharon, Ashoke; Verma, Ved Prakash; Sawant, Devesh M.","Pd-catalysed [3+2]-Cycloaddition towards the generation of bioactive bis-heterocycles/Identification of COX-2 inhibitors via in silico analysis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00467D","","","0.71073","MoKα","","0.0758","0.0486","","","0.0842","0.0958","","","","","","1.128","","","","has coordinates","275469","2022-05-17","00:36:26",""
"7158697","9.0386","0.0004","10.9319","0.0005","13.2664","0.0006","75.768","0.002","71.588","0.002","87.843","0.002","1204.42","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N O4 -","- C27 H29 N O4 -","- C54 H58 N2 O8 -","2","1","","Singh, Prasoon Raj; Gopal, Braj; Kumar, Madan; Goswami, Avijit","A metal-free BF<sub>3</sub>·OEt<sub>2</sub> mediated chemoselective protocol for the synthesis of propargylic cyclic imines.","Organic & biomolecular chemistry","2022","20","24","4933","4941","10.1039/d2ob00530a","","","0.71073","MoKα","","0.0859","0.0568","","","0.144","0.1655","","","","","","1.024","","","","has coordinates","276674","2022-07-06","08:37:01",""
"7158698","3.8833","0.0004","16.3577","0.0013","23.692","0.002","90","","90.16","0.004","90","","1505","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C88 H56 N8 O4 -","4","1","","Samanta, Surya Kanta; Sarkar, Rumpa; Sengupta, Utsav; Das, Sayan; Ganguly, Debabani; Hasija, Avantika; Chopra, Deepak; Bera, Mrinal K.","A direct entry to polycyclic quinoxaline derivatives <i>via</i> I<sub>2</sub>-DMSO mediated oxidative decarboxylation of α-amino acids and the subsequent Pictet-Spengler cyclization reaction.","Organic & biomolecular chemistry","2022","20","22","4650","4658","10.1039/d2ob00503d","","","0.71073","MoKα","","0.1234","0.0609","","","0.1041","0.1229","","","","","","1.028","","","","has coordinates","276676","2022-07-06","08:37:42",""
"7158699","4.0812","0.0008","17.973","0.003","19.807","0.004","90","","90","","90","","1452.9","0.5","293.31","","293.31","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C84 H56 N8 -","4","1","","Samanta, Surya Kanta; Sarkar, Rumpa; Sengupta, Utsav; Das, Sayan; Ganguly, Debabani; Hasija, Avantika; Chopra, Deepak; Bera, Mrinal K.","A direct entry to polycyclic quinoxaline derivatives <i>via</i> I<sub>2</sub>-DMSO mediated oxidative decarboxylation of α-amino acids and the subsequent Pictet-Spengler cyclization reaction.","Organic & biomolecular chemistry","2022","20","22","4650","4658","10.1039/d2ob00503d","","","0.71073","MoKα","","0.1222","0.0981","","","0.2533","0.2696","","","","","","1.102","","","","has coordinates","276676","2022-07-06","08:37:48",""
"7158700","9.4644","0.0005","12.0676","0.0007","15.1154","0.0008","88.701","0.002","78.029","0.002","82.275","0.002","1673.47","0.16","120","2","120.02","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H96 Li8 N4 O12 -","- C64 H96 Li8 N4 O12 -","- C64 H96 Li8 N4 O12 -","1","0.5","","Zhou, Shuai; Xu, Xiaojuan; Zhu, Xu; Zheng, Yu; Chen, Sufang; Xue, Mingqiang","A facile approach to C-functionalized β-ketoimine compounds via terminal alkylation of a tetralithiated intermediate","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00640E","","","0.71073","MoKα","","0.1169","0.0585","","","0.1248","0.1546","","","","","","1.031","","","","has coordinates","275472","2022-05-17","00:38:05",""
"7158701","10.4007","0.0011","13.6605","0.0015","17.5771","0.0019","99.394","0.003","94.887","0.003","93.08","0.003","2449.1","0.5","128.01","","128.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Li2 N2 O4 -","- C24 H34 Li2 N2 O4 -","- C96 H136 Li8 N8 O16 -","4","2","","Zhou, Shuai; Xu, Xiaojuan; Zhu, Xu; Zheng, Yu; Chen, Sufang; Xue, Mingqiang","A facile approach to C-functionalized β-ketoimine compounds via terminal alkylation of a tetralithiated intermediate","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00640E","","","0.71073","MoKα","","0.1825","0.0969","","","0.2569","0.3327","","","","","","1.03","","","","has coordinates","275472","2022-05-17","00:38:06",""
"7158702","11.8311","0.0003","12.9022","0.0003","14.4374","0.0003","75.339","0.002","70.665","0.002","78.677","0.002","1996.47","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O5 -","- C25 H21 N O5 -","- C100 H84 N4 O20 -","4","2","","Hong, Kemiao; Yang, Xiangji; Zhang, Zhijing; Xie, Xiongda; Lv, Xin; Xu, Xinfang; Hu, Wenhao","Diastereoselective aldol-type interception of phenolic oxonium ylides for the direct assembly of 2,2-disubstituted dihydrobenzofurans.","Organic & biomolecular chemistry","2022","20","22","4635","4639","10.1039/d2ob00723a","","x-ray","1.54184","CuKα","","0.0469","0.041","","","0.1026","0.1059","","","","","","1.039","","","","has coordinates","276675","2022-07-06","08:37:14",""
"7158703","11.0633","0.0006","18.6689","0.001","14.535","0.0008","90","","99.768","0.005","90","","2958.5","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C36H30N4O3","","- C36 H30 N4 O3 -","- C36 H30 N4 O3 -","- C144 H120 N16 O12 -","4","1","","Kaur, Ramandeep; Banga, Shefali; Babu, Srinivasarao Arulananda","Construction of carbazole-based unnatural amino acid scaffolds via Pd(ii)-catalyzed C(sp3)–H functionalization","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00658H","","x-ray","0.71073","MoKα","","0.1806","0.0775","","","0.2018","0.2813","","","","","","1.001","","","","has coordinates","275534","2022-05-19","00:41:40",""
"7158704","11.125","0.0004","13.07","0.0006","14.0121","0.0006","77.779","0.004","79.315","0.003","84.97","0.003","1954.23","0.15","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H30 N4 O3 -","- C44 H30 N4 O3 -","- C88 H60 N8 O6 -","2","1","","Kaur, Ramandeep; Banga, Shefali; Babu, Srinivasarao Arulananda","Construction of carbazole-based unnatural amino acid scaffolds via Pd(ii)-catalyzed C(sp3)–H functionalization","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00658H","","x-ray","0.71073","MoKα","","0.1838","0.0744","","","0.1937","0.2895","","","","","","0.897","","","","has coordinates","275534","2022-05-19","00:41:40",""
"7158705","12.0767","0.0004","7.789","0.0002","22.3524","0.0006","90","","101.996","0.001","90","","2056.67","0.1","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 -","- C27 H22 N2 -","- C108 H88 N8 -","4","1","","Thavaselvan, Sampath; Parthasarathy, Kanniyappan","Nickel-catalyzed [2 + 2 + 2] benzannulation of alkynes: a new route to the synthesis of highly substituted naphthalenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00513A","","","1.54178","CuKα","","0.0675","0.0623","","","0.213","0.2269","","","","","","0.881","","","","has coordinates","275535","2022-05-19","00:42:10",""
"7158706","11.5593","0.0007","15.3247","0.001","12.0108","0.0007","90","","90.874","0.002","90","","2127.4","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 O7 -","- C21 H23 N3 O7 -","- C84 H92 N12 O28 -","4","1","","Li, Fu-Qiang; Xie, Pu-Yuan; Chen, Huiyu; Bian, Ming; Gao, Yu-Ning; Liu, Zhen-Jiang","One-pot Catalyst-free Synthesis of Benzopyrroxazine Derivatives by a Mutually Activated Sequential Annulation Process","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00735E","","","0.71073","MoKα","","0.1187","0.0967","","","0.2813","0.3128","","","","","","1.028","","","","has coordinates","275536","2022-05-19","00:42:33",""
"7158707","7.1109","0.0002","10.9261","0.0004","16.7893","0.0005","90","","93.492","0.001","90","","1302.01","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DKU-20211220","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Shin, Ho Suk; Moon, Da Yoon; An, Sejin; Park, Bong Ser","Solvent assisted photochemical formation of a new keto[3,3]paracyclophane.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob00660j","","","0.71073","MoKα","","0.1011","0.0501","","","0.1357","0.2041","","","","","","1.001","","","","has coordinates","275590","2022-05-21","00:42:11",""
"7158708","12.6101","0.0006","13.2345","0.0004","10.6349","0.0005","90","","110.857","0.005","90","","1658.54","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F N O4 S -","- C18 H16 F N O4 S -","- C72 H64 F4 N4 O16 S4 -","4","1","","Zhu, Dongyu; Chen, Yuan; Zhang, Xue-jing; Yan, Ming","Regioselective conjugate addition of isoxazol-5-ones to ethenesulfonyl fluoride","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00737A","","x-ray","1.54184","CuKα","","0.0569","0.0482","","","0.1287","0.1358","","","","","","1.052","","","","has coordinates","275621","2022-05-24","00:34:40",""
"7158709","11.3481","0.0001","14.9237","0.0002","19.9392","0.0003","90","","90","","90","","3376.82","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C176 H160 O32 -","8","2","","Sun, Mohan; Ma, Xianjie; Shao, Siyuan; Jiang, Jianwei; Li, Jiaan; Tian, Jinying; Zhang, Jianjun; Li, Li; Ye, Fei; Li, Shuai","Atropisomeric 9,10-dihydrophenanthrene/bibenzyl trimers with anti-inflammatory and PTP1B inhibitory activities from Bletilla striata","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00489E","","x-ray","1.54184","CuKα","","0.0364","0.0341","","","0.0865","0.0879","","","","","","1.053","","","","has coordinates","275653","2022-05-26","00:43:48",""
"7158710","10.301","0.002","11.919","0.002","22.143","0.004","90","","100.5","0.03","90","","2673.1","0.9","298","","298","2","","","","","","","synthetic","5","C 1 2/c 1","-C 2yc","15","Guanidine mercury iodide","Guanidinium heptaiododimercurate(II)","","- C3 H18 Hg2 I7 N9 -","- C3 H18 Hg2 I7 N9 -","- C12 H72 Hg8 I28 N36 -","4","0.5","","Yu, Chao; Yu, Yuyan; Sun, Longwu; Li, Xinzhi; Liu, Zhigang; Ke, Miaolin; Chen, Fener","Highly diastereo- and enantioselective synthesis of multisubstituted allylic amino acid derivatives by allylic alkylation of a chiral glycine-based nickel complex and vinylethylene carbonates.","Organic & biomolecular chemistry","2022","20","24","4894","4899","10.1039/d2ob00726f","","","0.71073","MoKα","","0.1853","0.039","","0.1","0.084","0.0853","","","0.52","","","1.042","","","","has coordinates","276673","2022-07-06","08:36:30",""
"7158711","10.3298","0.0004","13.1904","0.0004","22.5489","0.0006","90","","90","","90","","3072.38","0.17","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 N3 Ni O4 -","- C37 H35 N3 Ni O4 -","- C148 H140 N12 Ni4 O16 -","4","1","","Yu, Chao; Yu, Yuyan; Sun, Longwu; Li, Xinzhi; Liu, Zhigang; Ke, Miaolin; Chen, Fener","Highly diastereo- and enantioselective synthesis of multisubstituted allylic amino acid derivatives by allylic alkylation of a chiral glycine-based nickel complex and vinylethylene carbonates.","Organic & biomolecular chemistry","2022","20","24","4894","4899","10.1039/d2ob00726f","","","0.71073","MoKα","","0.028","0.0247","","","0.0567","0.058","","","","","","1.033","","","","has coordinates","276673","2022-07-06","08:36:43",""
"7158712","9.7302","0.0003","15.9096","0.0004","17.8875","0.0007","90","","92.761","0.003","90","","2765.83","0.15","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 B Br O2 P -","- C31 H33 B Br O2 P -","- C124 H132 B4 Br4 O8 P4 -","4","1","","Mancinelli, Joseph P.; Liu, SB; Wilkerson-Hill, Sidney M","Relative Rates of Alkylation for B-Substituted Triarylphosphines: An ortho-Boron Group Enhances Reactivity on Phosphorus.","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00505K","","","0.71073","MoKα","","0.0863","0.0465","","0.1485","0.1053","0.1484","","","","","","1.0242","","","","has coordinates","275676","2022-05-28","00:31:32",""
"7158713","17.4162","0.0016","11.9045","0.0011","34.111","0.003","90","","90","","90","","7072.3","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H23 N3 O4 -","- C37 H23 N3 O4 -","- C296 H184 N24 O32 -","8","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1964","0.0859","","","0.2212","0.2761","","","","","","1.023","","","","has coordinates","276672","2022-07-06","08:34:57",""
"7158714","8.5047","0.0011","27.831","0.004","10.6483","0.0015","90","","107.629","0.004","90","","2402","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H20 O5 -","- C35 H20 O5 -","- C140 H80 O20 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1941","0.0659","","","0.1091","0.146","","","","","","1.01","","","","has coordinates","276672","2022-07-06","08:35:07",""
"7158715","7.992","0.003","8.725","0.003","17.432","0.006","87.327","0.011","79.388","0.012","89.684","0.011","1193.4","0.7","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H20 O4 -","- C35 H20 O4 -","- C70 H40 O8 -","2","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1546","0.0651","","","0.1094","0.1271","","","","","","0.984","","","","has coordinates","276672","2022-07-06","08:35:11",""
"7158716","8.297","0.0004","12.8462","0.0007","13.7948","0.0007","114.993","0.0016","93.9003","0.0016","100.751","0.0018","1291.33","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H24 O4 -","- C37 H24 O4 -","- C74 H48 O8 -","2","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.0936","0.0512","","","0.1148","0.1336","","","","","","1.021","","","","has coordinates","276672","2022-07-06","08:35:24",""
"7158717","18.978","0.002","12.483","0.0013","11.7028","0.0012","90","","94.907","0.003","90","","2762.3","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 O4 -","- C38 H26 O4 -","- C152 H104 O16 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1616","0.0588","","","0.119","0.1569","","","","","","1.006","","","","has coordinates,has disorder","276672","2022-07-06","08:35:29",""
"7158718","10.5877","0.0014","12.8107","0.0016","18.985","0.003","90","","91.436","0.005","90","","2574.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 N2 O3 -","- C35 H22 N2 O3 -","- C140 H88 N8 O12 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.082","0.0465","","","0.0943","0.109","","","","","","1.034","","","","has coordinates","276672","2022-07-06","08:35:40",""
"7158719","9.7066","0.0006","12.5713","0.0007","23.8206","0.0014","90","","100.881","0.002","90","","2854.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N2 O3 -","- C38 H28 N2 O3 -","- C152 H112 N8 O12 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.0807","0.0469","","","0.1061","0.1197","","","","","","1.026","","","","has coordinates","276672","2022-07-06","08:35:44",""
"7158720","12.9685","0.0009","13.8484","0.0011","20.7097","0.0016","90","","93.367","0.002","90","","3712.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H25 N O5 -","- C42 H25 N O5 -","- C168 H100 N4 O20 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.135","0.0595","","","0.1421","0.1739","","","","","","1.034","","","","has coordinates","276672","2022-07-06","08:35:56",""
"7158721","13.3642","0.0011","14.9517","0.0012","20.5922","0.0015","90","","90.279","0.002","90","","4114.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H27 N O5 -","- C43 H27 N O5 -","- C172 H108 N4 O20 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1722","0.0622","","","0.1425","0.1831","","","","","","0.975","","","","has coordinates","276672","2022-07-06","08:35:59",""
"7158722","12.8323","0.0013","19.3019","0.0019","8.5975","0.0008","90","","101.276","0.01","90","","2088.4","0.4","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C108 H92 N4 O8 -","4","1","","Yang, Xiao; Xia, Yanping; Tong, Jinghui; Ouyang, Lu; Lai, Yinlong; Luo, Renshi; Liao, Jianhua","Photo-induced Radical Cascade Cyclization of Acetylenic Acid Ester with Oxime Esters to Access Cyanalkylated Coumarins","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00612J","","x-ray","0.71073","MoKα","","0.075","0.0576","","","0.1446","0.1581","","","","","","1.046","","","","has coordinates","275753","2022-06-03","00:39:16",""
"7158723","9.6668","0.0006","13.1481","0.0007","13.9023","0.0009","91.153","0.002","94.071","0.002","104.497","0.002","1705.09","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Xu, Wenke; Guo, Jiangming; Liu, Chang-Hong; Sun, Jianting; Lv, Min; Wei, Bangguo","AgNTf2 Catalyzed Cycloaddition of N-Acyliminium ions with Alkynes for the Synthesis of 3,4-Dihydro-1,3-oxazin-2-one Skeleton","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00900E","","","0.71073","MoKα","","0.1155","0.0639","","","0.1495","0.1848","","","","","","1.036","","","","has coordinates,has disorder","275754","2022-06-03","00:39:40",""
"7158724","9.0271","0.0006","10.9083","0.0006","11.1404","0.0008","90","","105.79","0.007","90","","1055.6","0.12","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 Cl2 N3 O2 S2 -","- C22 H17 Cl2 N3 O2 S2 -","- C44 H34 Cl4 N6 O4 S4 -","2","1","","Liu, Ren-Ming; Zhang, Min; Han, Xiao-Xue; Liu, Xiong-Li; Pan, Bo-Wen; Tian, You-Ping; Peng, Li-Jun; Yuan, Weicheng","Catalytic asymmetric Michael/cyclization of 3 isothiocyanato thiobutyrolactone: an approach to the construction of a library of bispiro[pyrazolone-thiobutyrolactone] skeletons","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00773H","","x-ray","0.71073","MoKα","","0.0416","0.0359","","","0.0685","0.0709","","","","","","0.978","","","","has coordinates","275935","2022-06-09","00:42:51",""
"7158725","22.1744","0.0009","7.6768","0.0003","29.6328","0.0013","90","","98.428","0.004","90","","4989.9","0.4","113.15","","113.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C216 H240 N16 O40 -","8","1","","Zhao, Hong-Wu; Zhang, Heng; Cai, Lu-Yu; Wang, Kuo","Pd-Catalyzed Three-Component Decarboxylative Coupling Reactions Among Alkylidene Pyrazolones, Allyl Carbonates and Active Methylene Compounds","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00791F","","x-ray","0.71073","MoKα","","0.0878","0.0586","","","0.1347","0.1531","","","","","","1.024","","","","has coordinates","275950","2022-06-10","00:39:52",""
"7158726","11.564","0.0004","8.9788","0.0004","17.5497","0.0007","90","","101.097","0.004","90","","1788.13","0.13","301.94","0.1","301.94","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Phenyl(3-phenylbenzo[4,5]imidazo[2,1-b]thiazol-2-yl)methanone","","- C22 H14 N2 O S -","- C22 H14 N2 O S -","- C88 H56 N8 O4 S4 -","4","1","","Zhao, Xue-Jun; Li, Yuke; li, ming; Tian, Ya-Ling; Wang, Wen-Peng; Zhang, Bo-Sheng; Wang, Xi-Cun","Visible Light-Promoted Intermolecular Cyclization/Aromatization of Chalcones and 2-Mercaptobenzimidazoles via EDA Complex and Mechanism Study","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00847E","","x-ray","0.71073","MoKα","","0.0539","0.0382","","","0.0924","0.099","","","","","","1.06","","","","has coordinates","275951","2022-06-10","00:40:14",""
"7158727","15.2026","0.0007","10.9247","0.0005","12.3831","0.0007","90","","96.791","0.002","90","","2042.2","0.18","150","2","150.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 S7 Si -","- C19 H12 S7 Si -","- C76 H48 S28 Si4 -","4","1","","Wu, Zhiping; Xu, Wan; Li, Chunli; Ma, Zhiying; Wang, Guangxia; Wang, Hua","Synthesis and Crystal Structures of Unsymmetrical Wave-shaped Heptathienoacenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00800A","","","0.71073","MoKα","","0.0395","0.0322","","","0.0821","0.0876","","","","","","1.068","","","","has coordinates","275966","2022-06-11","00:28:56",""
"7158728","20.2064","0.0006","9.8434","0.0002","10.4751","0.0003","90","","102.468","0.001","90","","2034.36","0.09","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 S7 Si -","- C19 H12 S7 Si -","- C76 H48 S28 Si4 -","4","1","","Wu, Zhiping; Xu, Wan; Li, Chunli; Ma, Zhiying; Wang, Guangxia; Wang, Hua","Synthesis and Crystal Structures of Unsymmetrical Wave-shaped Heptathienoacenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00800A","","","0.71073","MoKα","","0.0491","0.037","","","0.088","0.096","","","","","","1.035","","","","has coordinates","275966","2022-06-11","00:28:57",""
"7158729","7.0326","0.0003","30.5918","0.0013","10.368","0.0004","90","","90","","90","","2230.57","0.16","150","2","149.99","","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C19 H12 S7 Si -","- C19 H12 S7 Si -","- C76 H48 S28 Si4 -","4","0.5","","Wu, Zhiping; Xu, Wan; Li, Chunli; Ma, Zhiying; Wang, Guangxia; Wang, Hua","Synthesis and Crystal Structures of Unsymmetrical Wave-shaped Heptathienoacenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00800A","","","0.71073","MoKα","","0.0237","0.0235","","","0.0618","0.062","","","","","","1.016","","","","has coordinates,has disorder","275966","2022-06-11","00:28:57",""
"7158730","12.2709","0.0005","15.7729","0.0005","10.1394","0.0003","90","","96.603","0.003","90","","1949.44","0.12","106.6","0.8","106.6","0.8","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O7 -","- C23 H24 O7 -","- C92 H96 O28 -","4","1","","Liu, Hongxin; Zhang, Yanjiang; Chen, Yuchan; Liu, Zhaoming; Tan, Haibo; Zhang, Weimin","Pyrone and isocoumarin derivatives from the endophytic fungus <i>Cytospora rhizophorae</i>.","Organic & biomolecular chemistry","2022","20","24","4900","4904","10.1039/d2ob00846g","","x-ray","1.54184","CuKα","","0.1025","0.0529","","","0.1169","0.1377","","","","","","0.983","","","","has coordinates","276671","2022-07-06","08:34:10",""
"7158731","9.3346","0.0004","11.4965","0.0005","14.0008","0.0005","68.283","0.004","88.338","0.003","66.351","0.004","1265.98","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H34 O12 S -","- C24 H34 O12 S -","- C48 H68 O24 S2 -","2","1","","Woźny, Mateusz; Trzybiński, Damian; Dąbrowa, Kajetan; Narodowiec, Jakub; Wozniak, Krzysztof","Monosulfonated dibenzo-24-crown-8 and its properties","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00851C","","x-ray","1.54184","CuKα","","0.0439","0.0421","","","0.108","0.1098","","","","","","1.027","","","","has coordinates,has disorder","276078","2022-06-17","00:36:33",""
"7158732","9.564","0.0005","11.4132","0.0005","14.49","0.0007","89.466","0.004","70.873","0.005","66.708","0.005","1359.32","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H35 K O13 S -","- C24 H35 K O13 S -","- C48 H70 K2 O26 S2 -","2","1","","Woźny, Mateusz; Trzybiński, Damian; Dąbrowa, Kajetan; Narodowiec, Jakub; Wozniak, Krzysztof","Monosulfonated dibenzo-24-crown-8 and its properties","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00851C","","x-ray","1.54184","CuKα","","0.0329","0.031","","","0.0798","0.0817","","","","","","1.03","","","","has coordinates,has disorder","276078","2022-06-17","00:36:36",""
"7158733","8.6868","0.001","11.8781","0.0014","13.2771","0.0015","104.028","0.003","95.447","0.003","108.651","0.003","1237","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.38 H2.75 N0.25 O0.5 S0.12 -","- C3.375 H2.75 N0.25 O0.5 S0.125 -","- C54 H44 N4 O8 S2 -","16","8","","Kundal, Sandip; Rana, Gopal; Kar, Abhishek; Jana, Umasish","The synthesis of indole-3-carbinols (I3C) and their application to access unsymmetrical bis(3-indolyl)methanes (BIMs) bearing a quaternary sp3-carbon","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00502F","","","0.71073","MoKα","","0.1408","0.1134","","","0.304","0.3264","","","","","","1.157","","","","has coordinates","276088","2022-06-18","00:33:20",""
"7158734","7.6565","0.0004","44.4687","0.0014","9.847","0.0004","90","","110.866","0.005","90","","3132.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N4 O2 S -","- C17 H14 N4 O2 S -","- C136 H112 N32 O16 S8 -","8","2","","Krivolapova, Yulia V.; Tomashenko, Olesya A.; Funt, Liya D.; Spiridonova, Dar’ya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","Azirine-triazole hybrids: selective synthesis of 5-(2H-azirin-2-yl)-, 5-(1H-pyrrol-2-yl)-1H-1,2,3-triazoles and 2-(5-(2H-azirin-2-yl)-1H-1,2,3-triazol-1-yl)pyridines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00908K","","x-ray","0.71073","MoKα","","0.1257","0.1175","","","0.2181","0.2212","","","","","","1.299","","","","has coordinates","276215","2022-06-24","00:59:14",""
"7158735","6.8927","0.0001","17.0842","0.0002","19.2068","0.0002","111.229","0.001","91.775","0.001","99.496","0.001","2069.21","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","2","","Krivolapova, Yulia V.; Tomashenko, Olesya A.; Funt, Liya D.; Spiridonova, Dar’ya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","Azirine-triazole hybrids: selective synthesis of 5-(2H-azirin-2-yl)-, 5-(1H-pyrrol-2-yl)-1H-1,2,3-triazoles and 2-(5-(2H-azirin-2-yl)-1H-1,2,3-triazol-1-yl)pyridines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00908K","","x-ray","1.54184","CuKα","","0.0422","0.0373","","","0.0937","0.0967","","","","","","1.042","","","","has coordinates","276215","2022-06-24","00:59:25",""
"7158736","7.8787","0.0003","8.2497","0.0004","13.2573","0.0006","91.083","0.001","93.032","0.001","116.681","0.001","767.98","0.06","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Br N O2 S2 -","- C16 H12 Br N O2 S2 -","- C32 H24 Br2 N2 O4 S4 -","2","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0315","0.0315","","","0.0813","0.0813","","","","","","1.087","","","","has coordinates","276265","2022-06-25","00:28:57",""
"7158737","5.8174","0.0002","8.2527","0.0003","31.1764","0.001","90","","90","","90","","1496.76","0.09","150","2","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N O3 S -","- C16 H12 Br N O3 S -","- C64 H48 Br4 N4 O12 S4 -","4","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0246","0.0242","","","0.0606","0.0609","","","","","","1.089","","","","has coordinates","276265","2022-06-25","00:28:57",""
"7158738","17.2756","0.0007","5.8934","0.0003","15.8085","0.0006","90","","107.614","0.002","90","","1534.04","0.12","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Br N O3 S -","- C16 H12 Br N O3 S -","- C64 H48 Br4 N4 O12 S4 -","4","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0322","0.0297","","","0.0781","0.0793","","","","","","1.183","","","","has coordinates","276265","2022-06-25","00:28:58",""
"7158739","11.1958","0.0003","15.7734","0.0005","9.155","0.0003","90","","96.136","0.001","90","","1607.47","0.09","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br Cl N O3 S -","- C16 H11 Br Cl N O3 S -","- C64 H44 Br4 Cl4 N4 O12 S4 -","4","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0264","0.0234","","","0.0593","0.0607","","","","","","1.054","","","","has coordinates","276265","2022-06-25","00:28:58",""
"7158740","7.3619","0.0003","8.0345","0.0003","13.9973","0.0005","90.628","0.001","94.489","0.001","101.89","0.001","807.37","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O6 S -","- C18 H15 N O6 S -","- C36 H30 N2 O12 S2 -","2","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0318","0.031","","","0.0805","0.0811","","","","","","1.052","","","","has coordinates","276265","2022-06-25","00:28:58",""
"7158741","8.6509","0.0006","18.0112","0.0013","10.3592","0.0007","90","","96.201","0.002","90","","1604.65","0.19","227","2","227","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Br N2 O5 S -","- C16 H11 Br N2 O5 S -","- C64 H44 Br4 N8 O20 S4 -","4","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0365","0.0359","","","0.0909","0.0913","","","","","","1.029","","","","has coordinates","276265","2022-06-25","00:28:58",""
"7158742","13.9957","0.0005","20.7143","0.0007","16.4103","0.0005","90","","90.911","0.002","90","","4756.9","0.3","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H10 B2 F30 N2 O2 S2 -","- C50 H10 B2 F30 N2 O2 S2 -","- C200 H40 B8 F120 N8 O8 S8 -","4","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0378","0.0302","","","0.0774","0.082","","","","","","1.034","","","","has coordinates","276265","2022-06-25","00:28:58",""
"7158743","8.8184","0.0001","8.9121","0.0002","11.4521","0.0001","93.237","0.001","108.243","0.001","115.398","0.002","752.85","0.03","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 Br2 O3 -","- C14 H16 Br2 O3 -","- C28 H32 Br4 O6 -","2","1","","Suzuki, Itaru; Hamada, Yuya; Uji, Yuki; Shibata, Ikuya","Reductive Coupling of Allenoates with Aldehydes Catalyzed by Halogenotin Hydride","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01096H","","x-ray","1.54184","CuKα","","0.0338","0.0322","","","0.0821","0.0832","","","","","","1.088","","","","has coordinates","276375","2022-06-29","00:34:59",""
"7158744","6.3452","0.0004","10.1024","0.0006","19.4282","0.001","84.271","0.004","88.2","0.005","75.258","0.005","1198.35","0.12","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 Cl O4 -","- C13 H11 Cl O4 -","- C52 H44 Cl4 O16 -","4","2","","Suzuki, Itaru; Hamada, Yuya; Uji, Yuki; Shibata, Ikuya","Reductive Coupling of Allenoates with Aldehydes Catalyzed by Halogenotin Hydride","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01096H","","x-ray","1.54184","CuKα","","0.1337","0.1282","","","0.3923","0.3947","","","","","","1.12","","","","has coordinates","276375","2022-06-29","00:35:00",""
"7158745","17.124","0.003","14.155","0.003","22.873","0.005","90","","106.7","0.03","90","","5310","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H73 Dy N6 O5 -","- C59 H73 Dy N6 O5 -","- C236 H292 Dy4 N24 O20 -","4","1","","Chen, Zhichao; Zheng, Xinran; Zhou, Shu-Feng; Cui, Xiuling","Visible light-induced selenylative spirocyclization of biaryl ynones toward the formation of selenated spiro[5.5]trienones.","Organic & biomolecular chemistry","2022","20","29","5779","5783","10.1039/d2ob01006b","","","0.71073","Synchrotron","","0.0704","0.0659","","","0.1668","0.1683","","","","","","1.165","","","","has coordinates,has disorder","277140","2022-08-06","12:03:01",""
"7158746","9.6751","0.0008","10.1384","0.001","13.4857","0.0012","107.731","0.008","109.77","0.008","93.109","0.007","1167.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 O2 Se -","- C29 H22 O2 Se -","- C58 H44 O4 Se2 -","2","1","","Chen, Zhichao; Zheng, Xinran; Zhou, Shu-Feng; Cui, Xiuling","Visible light-induced selenylative spirocyclization of biaryl ynones toward the formation of selenated spiro[5.5]trienones.","Organic & biomolecular chemistry","2022","20","29","5779","5783","10.1039/d2ob01006b","","","1.54184","CuKα","","0.0626","0.0455","","","0.1041","0.116","","","","","","1.064","","","","has coordinates,has disorder","277140","2022-08-06","12:03:02",""
"7158747","9.9894","0.0002","11.4609","0.0003","14.7673","0.0004","106.052","0.002","102.529","0.002","106.772","0.002","1472.53","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","E-1-(2-acetylaminophenyl)-1-bromo-2-(2-bromophenyl)ethene","","- C16 H13 Br2 N O -","- C16 H13 Br2 N O -","- C64 H52 Br8 N4 O4 -","4","2","","Iwai, Kento; Mukaijo, Yusuke; Asahara, Haruyasu; Nishiwaki, Nagatoshi","A new approach to 10-arylated 5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepines using <i>syn</i>-selective hydrohalogenation of ethynylaniline.","Organic & biomolecular chemistry","2022","20","28","5543","5550","10.1039/d2ob00950a","","","0.71073","MoKα","","0.0421","0.032","","","0.0754","0.0784","","","","","","1.033","","","","has coordinates","277143","2022-08-06","12:03:20",""
"7158748","8.339","0.0003","10.6181","0.0003","21.0722","0.0006","90","","92.485","0.003","90","","1864.07","0.1","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Z-1-(2-Acetylaminophenyl)-2-(2-bromophenyl)-1-(4-methylphenyl)ethene","","- C23 H20 Br N O -","- C23 H20 Br N O -","- C92 H80 Br4 N4 O4 -","4","1","","Iwai, Kento; Mukaijo, Yusuke; Asahara, Haruyasu; Nishiwaki, Nagatoshi","A new approach to 10-arylated 5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepines using <i>syn</i>-selective hydrohalogenation of ethynylaniline.","Organic & biomolecular chemistry","2022","20","28","5543","5550","10.1039/d2ob00950a","","","0.71073","MoKα","","0.0359","0.0294","","","0.0642","0.066","","","","","","1.063","","","","has coordinates","277143","2022-08-06","12:03:20",""
"7158749","15.5398","0.0005","8.6572","0.0002","13.0504","0.0004","90","","99.779","0.003","90","","1730.18","0.09","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Ethanoyl-10-(4-methylphenyl)-5H-dibenzo[b,f]azepine","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Iwai, Kento; Mukaijo, Yusuke; Asahara, Haruyasu; Nishiwaki, Nagatoshi","A new approach to 10-arylated 5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepines using <i>syn</i>-selective hydrohalogenation of ethynylaniline.","Organic & biomolecular chemistry","2022","20","28","5543","5550","10.1039/d2ob00950a","","","0.71073","MoKα","","0.0452","0.0375","","","0.0867","0.0909","","","","","","1.049","","","","has coordinates","277143","2022-08-06","12:03:21",""
"7158750","11.9152","0.0006","13.5262","0.0004","10.7286","0.0006","90","","110.597","0.006","90","","1618.57","0.15","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","555","","- C16 H16 F3 N O2 S -","- C16 H16 F3 N O2 S -","- C64 H64 F12 N4 O8 S4 -","4","1","","Deng, Qingsong; Gu, Jun; Zhang, Huan; Zhang, Youlai; Meng, Xiangtai","Sustainable access to benzothiophene derivatives bearing a trifluoromethyl group via a three-component domino reaction in water","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01034H","","x-ray","1.54184","CuKα","","0.0587","0.0479","","","0.1358","0.1462","","","","","","1.065","","","","has coordinates","276464","2022-07-01","00:36:02",""
"7158751","8.9308","0.0009","9.8192","0.0009","14.3606","0.0017","87.735","0.008","77.519","0.009","65.425","0.009","1116.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F3 N2 O S -","- C25 H23 F3 N2 O S -","- C50 H46 F6 N4 O2 S2 -","2","1","","Deng, Qingsong; Gu, Jun; Zhang, Huan; Zhang, Youlai; Meng, Xiangtai","Sustainable access to benzothiophene derivatives bearing a trifluoromethyl group via a three-component domino reaction in water","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01034H","","x-ray","0.71073","MoKα","","0.1238","0.0819","","","0.23","0.2791","","","","","","0.93","","","","has coordinates","276464","2022-07-01","00:36:03",""
"7158752","9.0814","0.0002","8.8689","0.0002","19.9409","0.0004","90","","99.649","0.002","90","","1583.36","0.06","293","2","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2","","- C15 H14 F3 N O2 S -","- C15 H14 F3 N O2 S -","- C60 H56 F12 N4 O8 S4 -","4","1","","Deng, Qingsong; Gu, Jun; Zhang, Huan; Zhang, Youlai; Meng, Xiangtai","Sustainable access to benzothiophene derivatives bearing a trifluoromethyl group via a three-component domino reaction in water","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01034H","","x-ray","1.54184","CuKα","","0.0419","0.0374","","","0.109","0.1126","","","","","","1.087","","","","has coordinates","276464","2022-07-01","00:36:03",""
"7158753","13.6854","0.0003","17.3409","0.0003","22.5373","0.0003","90","","90","","90","","5348.49","0.17","292.3","0.2","292.3","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H32 N2 O4 S2 -","- C26 H32 N2 O4 S2 -","- C208 H256 N16 O32 S16 -","8","1","","Deng, Qingsong; Gu, Jun; Zhang, Huan; Zhang, Youlai; Meng, Xiangtai","Sustainable access to benzothiophene derivatives bearing a trifluoromethyl group via a three-component domino reaction in water","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01034H","","x-ray","1.54184","CuKα","","0.0496","0.0436","","","0.1294","0.1354","","","","","","1.06","","","","has coordinates,has disorder","276464","2022-07-01","00:36:03",""
"7158754","10.609","0.006","8.728","0.005","29.627","0.017","90","","91.652","0.012","90","","2742","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(4-bromo-2-nitrophenyl)benzenesulfonamide","","- C24 H18 Br2 N4 O8 S2 -","- C24 H18 Br2 N4 O8 S2 -","- C96 H72 Br8 N16 O32 S8 -","4","1","","Yu, Xiao; Zhu, Wenjing; Liu, Hongyan; Liu, Yi; Li, Hongshuang; Han, Junfen; Duan, Guiyun; Bai, Zhushuang; Zhang, Pengfei; Xia, Chengcai","Practical chemoselective aromatic substitution: the synthesis of N-(4-halo-2-nitrophenyl)benzenesulfonamide through the efficient nitration and halogenation of N-phenylbenzenesulfonamide","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01028C","","","0.71073","MoKα","","0.0991","0.051","","","0.1284","0.141","","","","","","1.013","","","","has coordinates","276465","2022-07-01","00:36:57",""
"7158755","8.5489","0.0002","9.957","0.0002","12.8587","0.0003","71.144","0.002","81.512","0.002","81.501","0.002","1018.59","0.04","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 N O4 P -","- C21 H30 N O4 P -","- C42 H60 N2 O8 P2 -","2","1","","Kaźmierczak, Marcin; Dutkiewicz, Grzegorz; Koroniak, Henryk","Deoxyfluorinating reagents as tools for γ-amino-α-hydroxyphosphonate modification.","Organic & biomolecular chemistry","2022","20","28","5615","5623","10.1039/d2ob00915c","","x-ray","1.54184","CuKα","","0.0329","0.0327","","","0.0844","0.0845","","","","","","1.061","","","","has coordinates","277141","2022-08-06","12:03:09",""
"7158756","10.0312","0.0006","10.9576","0.0009","13.176","0.0013","72.616","0.008","81.716","0.007","67.437","0.007","1275.6","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 N O4 P -","- C27 H34 N O4 P -","- C54 H68 N2 O8 P2 -","2","1","","Kaźmierczak, Marcin; Dutkiewicz, Grzegorz; Koroniak, Henryk","Deoxyfluorinating reagents as tools for γ-amino-α-hydroxyphosphonate modification.","Organic & biomolecular chemistry","2022","20","28","5615","5623","10.1039/d2ob00915c","","x-ray","0.71073","MoKα","","0.0654","0.0531","","","0.1295","0.1387","","","","","","1.034","","","","has coordinates,has disorder","277141","2022-08-06","12:03:09",""
"7158757","10.7214","0.0004","11.9743","0.0006","18.1464","0.0008","88.453","0.004","77.487","0.004","74.219","0.004","2187.33","0.18","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 N O4 P -","- C22 H32 N O4 P -","- C88 H128 N4 O16 P4 -","4","2","","Kaźmierczak, Marcin; Dutkiewicz, Grzegorz; Koroniak, Henryk","Deoxyfluorinating reagents as tools for γ-amino-α-hydroxyphosphonate modification.","Organic & biomolecular chemistry","2022","20","28","5615","5623","10.1039/d2ob00915c","","x-ray","0.71073","MoKα","","0.0735","0.0626","","","0.1714","0.1818","","","","","","1.056","","","","has coordinates","277141","2022-08-06","12:03:09",""
"7158758","11.1124","0.0002","11.301","0.0001","10.6161","0.0002","90","","109.698","0.002","90","","1255.17","0.04","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Pawar, Amol Prakash; Yadav, Jyothi; Dolas, Atul Jankiram; Iype, Eldhose; Rangan, Krishnan; Kumar, Indresh","Catalyst-free direct regiospecific multicomponent synthesis of C3-functionalized pyrroles.","Organic & biomolecular chemistry","2022","20","29","5747","5758","10.1039/d2ob00961g","","x-ray","1.54184","CuKα","","0.0411","0.0386","","","0.0964","0.098","","","","","","1.066","","","","has coordinates","277135","2022-08-06","12:02:29",""
"7158759","9.2756","0.0001","10.2061","0.0001","17.1546","0.0002","79.024","0.001","75.112","0.001","74.328","0.001","1498.29","0.03","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H35 N O2 P -","- C37 H35 N O2 P -","- C74 H70 N2 O4 P2 -","2","1","","Xu, Xin-Ming; Li, Wenzhong; Li, Qiwei; Chen, Sen; Zhang, Xuesi; Yang, Bin; Wang, Wei-Li","Manganese(III)-promoted highly stereoselective phosphorylation of acyclic tertiary enamides to synthesize <i>E</i>-selective β-phosphoryl enamides.","Organic & biomolecular chemistry","2022","20","28","5566","5574","10.1039/d2ob00980c","","x-ray","1.54184","CuKα","","0.0555","0.0545","","","0.1527","0.1537","","","","","","1.052","","","","has coordinates","277142","2022-08-06","12:03:14",""
"7158760","10.2003","0.0006","9.935","0.0005","19.3125","0.001","90","","97.101","0.001","90","","1942.12","0.18","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2'R,3S,4'S)-di-tert-butyl 6-chloro-4'-((3-methyl-4-nitroisoxazol-5-yl)methyl)-2-oxo-1'-tosyl-2',4'-dihydro-1'H-spiro[indoline-3,3'-quinoline]-1,2'-dicarboxylate","","- C38 H39 Cl N4 O10 S -","- C38 H39 Cl N4 O10 S -","- C76 H78 Cl2 N8 O20 S2 -","2","1","","Li, Tong-Hao; Niu, Cheng; Du, Da-Ming","Enantioselective synthesis of isoxazole-containing spirooxindole tetrahydroquinolines <i>via</i> squaramide-catalysed cascade reactions.","Organic & biomolecular chemistry","2022","20","28","5582","5588","10.1039/d2ob00864e","","","0.71073","MoKα","","0.0997","0.0758","","","0.2016","0.2268","","","","","","1.006","","","","has coordinates,has disorder","277144","2022-08-06","12:03:26",""
"7158761","8.805","0.003","6.864","0.002","10.545","0.004","90","","110.673","0.01","90","","596.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","0.5","","Singh, Shashank; Tripathi, Krishna N.; Singh, Ravi P.","Redox activated amines in the organophotoinduced alkylation of coumarins.","Organic & biomolecular chemistry","2022","20","29","5716","5720","10.1039/d2ob00943a","","","0.71073","MoKα","","0.0802","0.0607","","","0.1836","0.2048","","","","","","1.093","","","","has coordinates","277136","2022-08-06","12:02:35",""
"7158762","9.232","0.0012","9.6032","0.0013","10.3394","0.0014","75.363","0.004","80.372","0.004","79.124","0.004","864.1","0.2","308","2","308","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C38 H48 O8 -","2","1","","Singh, Shashank; Tripathi, Krishna N.; Singh, Ravi P.","Redox activated amines in the organophotoinduced alkylation of coumarins.","Organic & biomolecular chemistry","2022","20","29","5716","5720","10.1039/d2ob00943a","","","0.71073","MoKα","","0.0688","0.0454","","","0.1536","0.1762","","","","","","1.187","","","","has coordinates","277136","2022-08-06","12:02:36",""
"7158763","11.9543","0.0016","13.1009","0.0016","12.3965","0.0014","90","","98.422","0.003","90","","1920.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Br O4 -","- C23 H19 Br O4 -","- C92 H76 Br4 O16 -","4","1","","Dattatri, ?; Singam, Maneesh Kumar Reddy; Nanubolu, Jagadeesh Babu; Reddy, Maddi Sridhar","Cu-Catalyzed tandem cyclization and coupling of enynones with enaminones for multisubstituted furans & furano-pyrroles.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob00839d","","","0.71073","MoKα","","0.0677","0.0389","","","0.0939","0.1072","","","","","","1.026","","","","has coordinates","276864","2022-07-23","02:23:06",""
"7158764","14.9392","0.0006","10.0969","0.0004","17.2076","0.0007","90","","111.715","0.001","90","","2411.39","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Cl N O3 -","- C32 H20 Cl N O3 -","- C128 H80 Cl4 N4 O12 -","4","1","","Yue, Zhibin; Wang, Ziyang; Zhang, Yunfeng; Chen, Xuling; Li, Pengfei; Li, Wenjun","Organocatalytic Formal [3+3] Cyclization of α-(6-Indolyl) Propargylic Alcohols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01206E","","x-ray","0.71073","MoKα","","0.1033","0.0484","","","0.1094","0.1249","","","","","","1.043","","","","has coordinates","276865","2022-07-23","02:23:29",""
"7158765","10.6549","0.0006","11.8312","0.0006","12.7053","0.0007","62.656","0.002","78.805","0.002","65.198","0.002","1291.45","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br2 N4 O2 S4 -","- C22 H18 Br2 N4 O2 S4 -","- C44 H36 Br4 N8 O4 S8 -","2","1","","Ravi Singh, Krishna; Santhosh, Chikkappaiahnayaka; Swaroop, Toreshettahally R.; Sadashiva, Maralinganadoddi P.","The regioselective synthesis of 2,5- and 4,5-disubstituted thiazoles <i>via</i> the cyclization of 2-oxo-2-(amino)ethanedithioates with isocyanides.","Organic & biomolecular chemistry","2022","20","29","5771","5778","10.1039/d2ob00837h","","","0.71073","MoKα","","0.0638","0.0402","","","0.1014","0.1145","","","","","","1.015","","","","has coordinates","277137","2022-08-06","12:02:41",""
"7158766","6.5681","0.0004","14.0924","0.0009","15.4674","0.001","90","","94.19","0.004","90","","1427.84","0.16","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br N2 O3 S -","- C13 H11 Br N2 O3 S -","- C52 H44 Br4 N8 O12 S4 -","4","1","","Ravi Singh, Krishna; Santhosh, Chikkappaiahnayaka; Swaroop, Toreshettahally R.; Sadashiva, Maralinganadoddi P.","The regioselective synthesis of 2,5- and 4,5-disubstituted thiazoles <i>via</i> the cyclization of 2-oxo-2-(amino)ethanedithioates with isocyanides.","Organic & biomolecular chemistry","2022","20","29","5771","5778","10.1039/d2ob00837h","","","1.54178","CuKα","","0.0798","0.0686","","","0.144","0.1507","","","","","","1.33","","","","has coordinates","277137","2022-08-06","12:02:41",""
"7158767","8.739","0.005","6.41","0.004","33.594","0.018","90","","94.59","0.017","90","","1875.8","1.9","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-hydroxy-5-methyl-2,3-di-p-tolyl-2,3-dihydro-1H-inden-1-one","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Negi, Rollania; Jena, Tapan Kumar; Jyoti, ?; Tuti, Nikhil Kumar; Anindya, Roy; Khan, Faiz Ahmed","Solvent controlled synthesis of 2,3-diarylepoxy indenones and α-hydroxy diarylindanones and their evaluation as inhibitors of DNA alkylation repair.","Organic & biomolecular chemistry","2022","20","29","5820","5835","10.1039/d2ob00595f","","","0.71073","MoKα","","0.2604","0.0828","","","0.1533","0.2431","","","","","","0.901","","","","has coordinates","277138","2022-08-06","12:02:49",""
"7158768","8.6355","0.0011","6.4732","0.0008","30.237","0.003","90","","91.3","0.011","90","","1689.8","0.3","301.41","0.1","301.41","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-hydroxy-5-methyl-2,3-diphenyl-2,3-dihydro-1H-inden-1-one","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Negi, Rollania; Jena, Tapan Kumar; Jyoti, ?; Tuti, Nikhil Kumar; Anindya, Roy; Khan, Faiz Ahmed","Solvent controlled synthesis of 2,3-diarylepoxy indenones and α-hydroxy diarylindanones and their evaluation as inhibitors of DNA alkylation repair.","Organic & biomolecular chemistry","2022","20","29","5820","5835","10.1039/d2ob00595f","","x-ray","0.71073","MoKα","","0.137","0.1093","","","0.2831","0.2979","","","","","","1.065","","","","has coordinates","277138","2022-08-06","12:02:49",""
"7158769","18.013","0.002","10.9258","0.0016","19.1838","0.0015","90","","93.691","0.007","90","","3767.7","0.8","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1a,6a-di-m-tolyl-1a,6a-dihydro-6H-indeno[1,2-b]oxiren-6-one","","- C24 H20 O2 -","- C24 H20 O2 -","- C192 H160 O16 -","8","2","","Negi, Rollania; Jena, Tapan Kumar; Jyoti, ?; Tuti, Nikhil Kumar; Anindya, Roy; Khan, Faiz Ahmed","Solvent controlled synthesis of 2,3-diarylepoxy indenones and α-hydroxy diarylindanones and their evaluation as inhibitors of DNA alkylation repair.","Organic & biomolecular chemistry","2022","20","29","5820","5835","10.1039/d2ob00595f","","","0.71073","MoKα","","0.2157","0.119","","","0.3577","0.4399","","","","","","1.1824","","","","has coordinates","277138","2022-08-06","12:02:49",""
"7158770","8.8846","0.0003","10.469","0.0006","18.3384","0.0009","90","4","79.975","0.004","90","4","1679.66","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br O4 -","- C19 H17 Br O4 -","- C76 H68 Br4 O16 -","4","1","","Prakash, Meher; Rani, Poonam; Samanta, Sampak","Substrate-dependent reaction of 1-aryl-2-alkyl-1,2-diketones with 2-aroyl-1-chlorocyclopropanecarboxylates: selective access to 2ʹ,5ʹ-dicyclopropoxy-1,1ʹ:4ʹ,1ʺ-teraryls and pentafulvenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00971D","","","0.71073","MoKα","","0.0504","0.0346","","","0.0793","0.0874","","","","","","1.039","","","","has coordinates","276868","2022-07-23","02:25:32",""
"7158771","8.6775","0.0006","9.7016","0.0006","11.8817","0.0008","86.39","0.002","79.605","0.002","66.426","0.002","901.7","0.1","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 O4 S -","- C21 H19 O4 S -","- C42 H38 O8 S2 -","2","1","","Prakash, Meher; Rani, Poonam; Samanta, Sampak","Substrate-dependent reaction of 1-aryl-2-alkyl-1,2-diketones with 2-aroyl-1-chlorocyclopropanecarboxylates: selective access to 2ʹ,5ʹ-dicyclopropoxy-1,1ʹ:4ʹ,1ʺ-teraryls and pentafulvenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00971D","","","0.71073","MoKα","","0.044","0.0367","","","0.0981","0.1084","","","","","","1.1","","","","has coordinates","276868","2022-07-23","02:25:33",""
"7158772","7.3447","0.0005","21.7403","0.0015","12.7291","0.001","90","","103.687","0.002","90","","1974.8","0.2","273.15","","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Prakash, Meher; Rani, Poonam; Samanta, Sampak","Substrate-dependent reaction of 1-aryl-2-alkyl-1,2-diketones with 2-aroyl-1-chlorocyclopropanecarboxylates: selective access to 2ʹ,5ʹ-dicyclopropoxy-1,1ʹ:4ʹ,1ʺ-teraryls and pentafulvenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00971D","","","0.71073","MoKα","","0.0573","0.0453","","","0.1469","0.1621","","","","","","1.19","","","","has coordinates","276868","2022-07-23","02:25:33",""
"7158773","9.8688","0.0007","9.9088","0.0007","10.7278","0.0008","73.336","0.002","75.766","0.002","60.403","0.002","866.99","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N O4 P -","- C18 H20 N O4 P -","- C36 H40 N2 O8 P2 -","2","1","","Xiong, Ting; Zhou, Xingcui; Jiang, Jun","Dearomative oxyphosphorylation of indoles enables facile access to 2,2-disubstituted indolin-3-ones.","Organic & biomolecular chemistry","2022","20","29","5721","5725","10.1039/d2ob01063a","","","0.71073","MoKα","","0.0695","0.0589","","","0.158","0.1673","","","","","","1.026","","","","has coordinates,has disorder","277139","2022-08-06","12:02:54",""
"7158774","9.659","0.003","18.266","0.005","10.132","0.003","90","","113.345","0.01","90","","1641.3","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C80 H80 N16 O8 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.0997","0.0509","","","0.1009","0.123","","","","","","1.014","","","","has coordinates","276870","2022-07-23","02:27:54",""
"7158775","9.7783","0.0009","11.9953","0.001","17.4364","0.0015","81.427","0.003","83.627","0.004","70.331","0.003","1900.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C88 H96 N16 O16 -","4","2","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.085","0.056","","","0.1241","0.1386","","","","","","1.03","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158776","10.678","0.003","9.987","0.003","24.015","0.007","90","","100.609","0.015","90","","2517.2","1.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N4 O8 -","- C26 H32 N4 O8 -","- C104 H128 N16 O32 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.2888","0.0968","","","0.2035","0.2804","","","","","","0.954","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158777","10.8202","0.0009","12.3589","0.001","15.5997","0.0014","92.661","0.003","109.964","0.003","107.892","0.003","1839","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","(3aS,3bR,11bS)-9-chloro-3-(3-chlorophenyl)-1,5-dimethyl-1,3a,3b,4,5,11b-hexahydro-2H-diimidazo[1,5-a:4',5'-c]quinoline-2,6(3H)-dione","","- C6.67 H6 Cl0.67 N1.33 O0.67 -","- C6.66667 H6 Cl0.666667 N1.33333 O0.666667 -","- C80 H72 Cl8 N16 O8 -","12","6","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0858","0.0445","","","0.0937","0.1059","","","","","","1.07","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158778","8.8126","0.0004","23.7747","0.0009","9.4899","0.0004","90","","110.606","0.001","90","","1861.09","0.14","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N4 O2 -","- C20 H18 Cl2 N4 O2 -","- C80 H72 Cl8 N16 O8 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.0476","0.0398","","","0.09","0.0943","","","","","","1.077","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158779","12.5996","0.0006","7.267","0.0003","42.5196","0.0018","90","","90","","90","","3893.1","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","1-methyl-4-(3-methyl-2-oxo-1-phenylimidazolidin-4-yl)-3-phenyl-1,3-dihydro-2H-imidazol-2-one","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C160 H192 N32 O32 -","8","2","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0615","0.0565","","","0.1406","0.1443","","","","","","1.098","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158780","9.118","0.004","10.799","0.004","10.873","0.005","90.043","0.014","100.093","0.012","95.192","0.012","1049.6","0.8","100","2","100","","","","","","","","","4","P -1","-P 1","2","","(10cS,13aS,13bR)-2,11-dimethyl-13-(naphthalen-2-yl)-1,10c,11,13,13a,13b-hexahydro-3H-benzo[f]diimidazo[1,5-a:4',5'-c]quinoline-3,12(2H)-dione","","- C28 H24 N4 O2 -","- C28 H24 N4 O2 -","- C56 H48 N8 O4 -","2","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0702","0.0437","","","0.1021","0.1154","","","","","","1.029","","","","has coordinates","276870","2022-07-23","02:27:56",""
"7158781","6.3685","0.0003","7.0657","0.0003","18.9967","0.001","90","","97.181","0.002","90","","848.11","0.07","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-methyl-3-phenyl-1,3-dihydro-2H-imidazol-2-one","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0541","0.0498","","","0.1247","0.1272","","","","","","1.111","","","","has coordinates","276870","2022-07-23","02:27:56",""
"7158782","14.616","0.003","9.5381","0.0015","15.044","0.002","90","","117.626","0.005","90","","1858.2","0.5","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3aS,3bS,11bS)-10-bromo-3-(4-bromophenyl)-1,5-dimethyl-1,3a,3b,4,5,11b-hexahydro-2H-diimidazo[1,5-a:4',5'-c]quinoline-2,6(3H)-dione","","- C20 H18 Br2 N4 O2 -","- C20 H18 Br2 N4 O2 -","- C80 H72 Br8 N16 O8 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0332","0.025","","","0.0549","0.0584","","","","","","1.034","","","","has coordinates","276870","2022-07-23","02:27:56",""
"7158783","9.6635","0.0007","11.4629","0.0008","14.1743","0.001","91.874","0.002","106.844","0.002","112.114","0.002","1374.29","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3aS,3bR,11bS)-3,5-bis(4-bromobenzyl)-1-phenyl-1,3a,3b,4,5,11b-hexahydro-2H-diimidazo[1,5-a:4',5'-c]quinoline-2,6(3H)-dione","","- C32 H26 Br2 N4 O2 -","- C32 H26 Br2 N4 O2 -","- C64 H52 Br4 N8 O4 -","2","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.0714","0.0466","","","0.1163","0.1344","","","","","","0.814","","","","has coordinates","276870","2022-07-23","02:27:56",""
"7158784","4.7996","0.0013","9.8909","0.0015","26.029","0.004","90","","92.99","0.02","90","","1234","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br N3 O -","- C12 H12 Br N3 O -","- C48 H48 Br4 N12 O4 -","4","1","","Khan, Sardaraz; Shah, Babar Hussain; Zhao, Can; Zhang, Yong Jian","Pd-Catalyzed regio- and stereoselective allylic substitution of vinylethylene carbonates with 1,2,4-triazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01156E","","","1.54178","CuKα","","0.0652","0.0462","","","0.1139","0.1306","","","","","","1.025","","","","has coordinates","276871","2022-07-23","02:29:07",""
"7158785","13.659","0.007","17.867","0.009","31.896","0.016","90","","90","","90","","7784","7","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 Br N3 O5 S -","- C42 H40 Br N3 O5 S -","- C336 H320 Br8 N24 O40 S8 -","8","2","","Madavi, Shiva Prasad; Murugesan, Sivaprakash; Alagarsamy, Palanichamy","Aminocatalytic asymmetric [4+2]-annulation to access functionally rich hexahydrospiroindole pyrazolones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01085B","","","0.71073","MoKα","","0.1354","0.0649","","","0.1291","0.158","","","","","","1.015","","","","has coordinates,has disorder","276872","2022-07-23","02:29:36",""
"7158786","8.4928","0.0004","22.3408","0.0009","9.675","0.0004","90","","90.005","0.002","90","","1835.7","0.14","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C56 H118 O43 Si4 -","- C56 H118 O43 Si4 -","- C56 H118 O43 Si4 -","1","0.5","","Choutka, Jan; Kratochvíl, Michal; Císařová, Ivana; Pohl, Radek; Kaminský, Jakub; Parkan, Kamil","Silicon-bridged (1→ 1)-disaccharides: an umpoled glycomimetic scaffold.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01161a","","","0.71073","MoKα","","0.0293","0.029","","","0.0815","0.0816","","","","","","1.041","","","","has coordinates","276873","2022-07-23","02:29:53",""
"7158787","14.8663","0.0005","8.1427","0.0003","16.8048","0.0006","90","","93.871","0.004","90","","2029.61","0.12","292.98","0.1","292.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cl2 F Ir N3 -","- C18 H23 Cl2 F Ir N3 -","- C72 H92 Cl8 F4 Ir4 N12 -","4","1","","Xia, Yanping; Wang, Sen; Miao, Rui; Liao, Jianhua; Ouyang, Lu; Luo, Renshi","Synthesis of N-alkoxy amines and hydroxylamines via the iridium-catalyzed transfer hydrogenation of oximes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01084D","","x-ray","0.71073","MoKα","","0.0356","0.0296","","","0.0641","0.0673","","","","","","1.023","","","","has coordinates","276874","2022-07-23","02:30:24",""
"7158788","5.7379","0.0003","8.2844","0.0005","31.6487","0.0019","90","","91.477","0.006","90","","1503.92","0.15","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Xia, Yanping; Wang, Sen; Miao, Rui; Liao, Jianhua; Ouyang, Lu; Luo, Renshi","Synthesis of N-alkoxy amines and hydroxylamines via the iridium-catalyzed transfer hydrogenation of oximes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01084D","","x-ray","1.54184","CuKα","","0.0784","0.0642","","","0.1686","0.1769","","","","","","1.042","","","","has coordinates","276874","2022-07-23","02:30:24",""
"7158789","7.6201","0.0011","11.12","0.002","12.625","0.002","106.776","0.004","99.113","0.004","96.569","0.006","996.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 F6 N2 -","- C24 H16 F6 N2 -","- C48 H32 F12 N4 -","2","1","","Geng, Furong; Wu, Shaofeng; Gan, Xinyang; Hou, Wenjuan; Dong, Jianyu; Zhou, Yongbo","TEMPO mediated oxidative annulation of aryl methyl ketones with amines/ammonium acetate for imidazole synthesis.","Organic & biomolecular chemistry","2022","20","27","5416","5422","10.1039/d2ob00828a","","","0.71073","MoKα","","0.0366","0.0349","","","0.0883","0.0899","","","","","","1.044","","","","has coordinates","276875","2022-07-23","02:30:50",""
"7158790","9.8106","0.0002","17.8042","0.0002","9.8334","0.0002","90","","119.489","0.003","90","","1495.08","0.06","295.99","0.1","295.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Li, Zhen; Ma, Shiqiang; Liu, Fuhai; Ma, Ruize; Zhao, Jipeng; Xie, Xingang; She, Xuegong","Rapid construction of indole-fused 8–10 membered lactones via a tandem reaction","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01110G","","x-ray","1.54184","CuKα","","0.0408","0.0376","","","0.1023","0.1049","","","","","","1.039","","","","has coordinates","276876","2022-07-23","02:31:10",""
"7158791","6.722","0.0003","19.1925","0.0007","11.3024","0.0005","90","","103.638","0.002","90","","1417.03","0.1","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C64 H68 N12 O12 -","4","1","","Thadem, Nagender; Rajesh, Manda; Balaboina, Harikrishna; Das, Saibal","Synthesis of bridgehead-azacycles <i>via</i> dual C-N/C-C annulation of α-amino acids, aminals and maleimides.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01117d","","","0.71073","MoKα","","0.0558","0.0464","","","0.1132","0.1194","","","","","","1.046","","","","has coordinates","276877","2022-07-23","02:31:52",""
"7158792","10.6245","0.001","11.4523","0.0017","14.3907","0.0019","90","","93.884","0.004","90","","1747","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O3 -","- C19 H21 N3 O3 -","- C76 H84 N12 O12 -","4","1","","Thadem, Nagender; Rajesh, Manda; Balaboina, Harikrishna; Das, Saibal","Synthesis of bridgehead-azacycles <i>via</i> dual C-N/C-C annulation of α-amino acids, aminals and maleimides.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01117d","","","0.71073","MoKα","","0.0738","0.054","","","0.1361","0.1532","","","","","","1.024","","","","has coordinates","276877","2022-07-23","02:31:53",""
"7158793","22.524","0.002","24.034","0.007","7.426","0.006","90","","90","","90","","4020","3","294","2","294","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C45 H38 Cl2 F2 N6 O6 -","- C45 H38 Cl2 F2 N6 O6 -","- C180 H152 Cl8 F8 N24 O24 -","4","0.5","","Thadem, Nagender; Rajesh, Manda; Balaboina, Harikrishna; Das, Saibal","Synthesis of bridgehead-azacycles <i>via</i> dual C-N/C-C annulation of α-amino acids, aminals and maleimides.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01117d","","","0.71073","MoKα","","0.066","0.0407","","","0.0864","0.0991","","","","","","0.956","","","","has coordinates,has disorder","276877","2022-07-23","02:31:53",""
"7158794","14.0585","0.0009","6.5274","0.0003","19.2202","0.0011","90","","106.051","0.002","90","","1694.99","0.17","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Hu, Sen-Jie; Jiang, Li-Lin; Qiu, Hui; Luo, Chun-Mei; Guan, Yu-Tao; Li, Long; Dong, Youren; Lei, Ke-Wei; Wei, Wen-Ting","Cyclization/hydrolysis of 1,5-enenitriles initiated by sulfonyl radicals in the aqueous phase in the presence of the I2/TBHP system","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01124G","","","0.71073","MoKα","","0.0532","0.0406","","","0.0846","0.0951","","","","","","1.079","","","","has coordinates","276937","2022-07-26","00:46:29",""
"7158795","8.797","0.0007","9.5081","0.001","31.917","0.003","90","","90","","90","","2669.6","0.4","303","2","303","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Cl N O2 S Se2 -","- C28 H24 Cl N O2 S Se2 -","- C112 H96 Cl4 N4 O8 S4 Se8 -","4","1","","Tan, Xiao-Ju; Zhao, Kun; Zhong, Xue-Fang; Yang, Lan; Dong, Yi-Ming; Wang, Tian-Mi; Yu, Shengping; Zhao, Zhi-Gang; Li, Xiao-Xiao","Synthesis of 1,2-diselenides via potassium persulfate mediated diselenation of allenamides with diselenides.","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00964A","","","0.71073","MoKα","","0.0707","0.0321","","","0.0649","0.0716","","","","","","1.02","","","","has coordinates","276938","2022-07-26","00:47:07",""
"7158796","10.5442","0.0004","11.6339","0.0005","11.9876","0.0006","97.872","0.002","101.392","0.002","91.286","0.002","1426.11","0.11","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Cl N O2 S Se2 -","- C30 H28 Cl N O2 S Se2 -","- C60 H56 Cl2 N2 O4 S2 Se4 -","2","1","","Tan, Xiao-Ju; Zhao, Kun; Zhong, Xue-Fang; Yang, Lan; Dong, Yi-Ming; Wang, Tian-Mi; Yu, Shengping; Zhao, Zhi-Gang; Li, Xiao-Xiao","Synthesis of 1,2-diselenides via potassium persulfate mediated diselenation of allenamides with diselenides.","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00964A","","","0.71073","MoKα","","0.0625","0.0421","","","0.1011","0.1098","","","","","","1.062","","","","has coordinates","276938","2022-07-26","00:47:08",""
"7158797","6.0853","0.0002","6.9127","0.0002","21.3235","0.0004","90","","90","","90","","896.99","0.04","100","0.3","100","0.3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N O5 -","- C8 H11 N O5 -","- C32 H44 N4 O20 -","4","1","","Sperry, Jonathan; Lau, Michelle; Neville, Jessica; Söhnel, Tilo","Haber-independent, asymmetric synthesis of the marine alkaloid epi-leptosphaerin from a chitin-derived chiral pool synthon","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01251K","","x-ray","1.54184","CuKα","","0.0307","0.0294","","","0.0731","0.0741","","","","","","1.058","","","","has coordinates","276954","2022-07-27","00:43:04",""
"7158798","8.3018","0.0001","10.5357","0.0001","20.1722","0.0001","90","","90","","90","","1764.37","0.03","189.99","0.1","189.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C88 H68 N4 O12 -","4","1","","Yang, Min; Gao, Yu-Lin; Xie, Ming-Sheng; Guo, Hai-Ming","ArPNO-catalyzed acylative kinetic resolution of tertiary alcohols: access to 3-hydroxy-3-substituted oxindoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01205G","","x-ray","1.54184","CuKα","","0.0345","0.034","","","0.0863","0.0868","","","","","","1.1026","","","","has coordinates","276971","2022-07-28","00:37:40",""
"7158799","12.0018","0.0003","15.5165","0.0004","17.7252","0.0004","68.278","0.002","84.913","0.002","85.553","0.002","3050.85","0.14","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C122 H145 Au2 Cl2 N5 O8 P2 -","- C122 H145 Au2 Cl2 N5 O8 P2 -","- C122 H145 Au2 Cl2 N5 O8 P2 -","1","0.5","","Giovanardi, Gabriele; Balestri, Davide; Secchi, Andrea; Cera, Gianpiero","Diametric calix[6]arene gold(i) catalysts for intramolecular cyclopropanations of 1,6-dienynes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01074G","","x-ray","0.71073","MoKα","","0.0553","0.0486","","","0.1334","0.136","","","","","","1.072","","","","has coordinates,has disorder","276972","2022-07-28","00:38:23",""
"7158800","30.4353","0.0006","15.4148","0.0002","25.1048","0.0004","90","","90.541","0.002","90","","11777.5","0.3","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C117.5 H137.5 Au2 Cl6.5 N2 O8 P2 -","- C117.5 H137.5 Au2 Cl6.5 N2 O8 P2 -","- C470 H550 Au8 Cl26 N8 O32 P8 -","4","0.5","","Giovanardi, Gabriele; Balestri, Davide; Secchi, Andrea; Cera, Gianpiero","Diametric calix[6]arene gold(i) catalysts for intramolecular cyclopropanations of 1,6-dienynes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01074G","","","0.71073","MoKα","","0.044","0.0358","","","0.095","0.0999","","","","","","1.048","","","","has coordinates,has disorder","276972","2022-07-28","00:38:24",""
"7158801","14.1201","0.0003","14.4758","0.0003","18.9307","0.0003","88.005","0.002","85.593","0.002","86.527","0.002","3849.14","0.13","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C166 H204 Au2 Cl2 N2 O10 P2 -","- C166 H204 Au2 Cl2 N2 O10 P2 -","- C166 H204 Au2 Cl2 N2 O10 P2 -","1","0.5","","Giovanardi, Gabriele; Balestri, Davide; Secchi, Andrea; Cera, Gianpiero","Diametric calix[6]arene gold(i) catalysts for intramolecular cyclopropanations of 1,6-dienynes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01074G","","x-ray","0.71073","MoKα","","0.0428","0.0374","","","0.0833","0.0871","","","","","","1.05","","","","has coordinates,has disorder","276972","2022-07-28","00:38:24",""
"7158802","8.9293","0.0002","14.4901","0.0003","13.4949","0.0004","90","","109.131","0.003","90","","1649.63","0.08","100.2","0.7","100.2","0.7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Br O2 -","- C21 H13 Br O2 -","- C84 H52 Br4 O8 -","4","1","","Li, Jun-Nan; Li, Zi-Jie; Shen, Liu-Yu; Li, Pinhua; Zhang, Yicheng; Yang, Wen-Chao","Selective polychloromethylation and halogenation of alkynes with polyhaloalkanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01053D","","x-ray","1.54184","CuKα","","0.0273","0.0265","","","0.0726","0.0732","","","","","","1.062","","","","has coordinates","276991","2022-07-29","00:37:26",""
"7158803","19.9343","0.0014","7.2169","0.0005","20.77","0.0014","90","","104.434","0.007","90","","2893.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 I2 N4 O2 S2 -","- C32 H18 I2 N4 O2 S2 -","- C128 H72 I8 N16 O8 S8 -","4","1","","Fang, Yu; Ren, Shangfeng; He, Chen; Han, Huiqi; Liao, Fuming; Liu, Jin-Biao; Yang, Min","Selective halocyclization and iodosulfonylation of N-benzothiazol2-yl alkynamides under mild conditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01165D","","","0.71073","MoKα","","0.0756","0.0454","","","0.0914","0.1073","","","","","","1.041","","","","has coordinates","277009","2022-07-30","00:34:52",""
"7158804","10.2351","0.0003","8.1643","0.0002","20.5765","0.0005","90","","98.163","0.001","90","","1702","0.08","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N O4 P -","- C15 H24 N O4 P -","- C60 H96 N4 O16 P4 -","4","2","","Sun, Jian-Ting; Li, Xin; Yang, Tian-Yu; Lv, Min; Chen, Ling-Yan; Wei, Bang-Guo","In(OTf)3-catalyzed N-α phosphonylation of N,O-acetals with triethyl phosphite","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01196D","","","0.71073","MoKα","","0.0588","0.0536","","","0.1411","0.1477","","","","","","1.049","","","","has coordinates,has disorder","277010","2022-07-30","00:35:22",""
"7158805","9.268","0.0004","9.7857","0.0005","11.9313","0.0006","76.99","0.002","68.228","0.001","77.696","0.002","969.02","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 F N O5 P -","- C17 H25 F N O5 P -","- C34 H50 F2 N2 O10 P2 -","2","1","","Sun, Jian-Ting; Li, Xin; Yang, Tian-Yu; Lv, Min; Chen, Ling-Yan; Wei, Bang-Guo","In(OTf)3-catalyzed N-α phosphonylation of N,O-acetals with triethyl phosphite","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01196D","","","0.71073","MoKα","","0.0844","0.0549","","","0.1272","0.1493","","","","","","1.023","","","","has coordinates,has disorder","277010","2022-07-30","00:35:22",""
"7158806","8.3023","0.0005","9.0644","0.0007","10.6356","0.001","99.42","0.007","93.883","0.006","108.503","0.007","742.63","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 O2 S -","- C20 H12 O2 S -","- C40 H24 O4 S2 -","2","1","","Geng, Yang; Gao, Xianying; Liang, apeng; Li, Jingya; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng","[4+2] Cycloaddition Reactions of β-Naphtha-1-thioquinones Generated from 2-Naphthols and DAST","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01044E","","x-ray","0.71073","MoKα","","0.0665","0.0467","","","0.1001","0.1144","","","","","","1.04","","","","has coordinates","277021","2022-08-01","00:19:06",""
"7158807","9.1135","0.0004","6.4959","0.0003","26.5272","0.0012","90","","92.726","0.004","90","","1568.64","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 O2 S2 -","- C20 H12 O2 S2 -","- C80 H48 O8 S8 -","4","1","","Geng, Yang; Gao, Xianying; Liang, apeng; Li, Jingya; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng","[4+2] Cycloaddition Reactions of β-Naphtha-1-thioquinones Generated from 2-Naphthols and DAST","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01044E","","x-ray","1.54184","CuKα","","0.0613","0.052","","","0.135","0.1427","","","","","","1.097","","","","has coordinates,has disorder","277021","2022-08-01","00:19:09",""
"7158808","18.0754","0.0012","15.6627","0.0011","11.5969","0.0006","90","","91.25","0.003","90","","3282.4","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1',4-dimethylspiro[benzo[4,5]imidazo[2,1-a]isoindole-11,3'-pyrrolidine]-2',5'-dione","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C152 H120 N24 O16 -","8","1","","Huang, Ying-Ti; Barve, Indrajeet; Huang, Yi-Ting; Dhole, Sandip; Chiu, Wei-Jung; Sun, Chung-Ming","Substrate-Controlled Rh(III)-Catalyzed Regiodivergent Annulation to Fused and Spiro Benzimidazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00906D","","","0.71073","MoKα","","0.1152","0.0688","","","0.1769","0.2016","","","","","","1.06","","","","has coordinates","277066","2022-08-04","00:37:25",""
"7158809","16.2326","0.001","8.5326","0.0005","20.3607","0.0013","90","","90","","90","","2820.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3aR,13aS)-2-methyl-3a,13a-dihydro-1H-benzo[4,5]imidazo[2,1-a]pyrrolo[3,4-c]isoquinoline-1,3(2H)-dione","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C144 H104 N24 O16 -","8","1","","Huang, Ying-Ti; Barve, Indrajeet; Huang, Yi-Ting; Dhole, Sandip; Chiu, Wei-Jung; Sun, Chung-Ming","Substrate-Controlled Rh(III)-Catalyzed Regiodivergent Annulation to Fused and Spiro Benzimidazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00906D","","","0.71073","MoKα","","0.1653","0.1443","","","0.327","0.3365","","","","","","1.205","","","","has coordinates","277066","2022-08-04","00:37:26",""
"7158810","31.146","0.018","11.338","0.007","15.115","0.009","90","","95.043","0.019","90","","5317","6","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(9-(Pyridin-2-yl)-9H-carbazol-1-yl)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione","","- C57 H38 Cl6 N6 O5 -","- C57 H38 Cl6 N6 O5 -","- C228 H152 Cl24 N24 O20 -","4","0.5","","Cho, Eun Hee; Akhtar, Muhammad Saeed; Aslam, Mohammad; Thombal, Raju S.; Li, Xin; Shim, Jae-Jin; Lee, Yong Rok","Transition Metal-Catalyzed Regioselective Functionalization of Carbazoles and Indolines with Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01077A","","","0.71073","MoKα","","0.1378","0.0814","","","0.2405","0.2937","","","","","","1.043","","","","has coordinates","277086","2022-08-06","00:26:37",""
"7158811","17.315","0.011","7.025","0.005","17.444","0.011","90","","99.42","0.03","90","","2093","2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(5-Bromo-1-(pyrimidin-2-yl)-1H-indol-2-yl)-1-phenylpyrrolidine-2,5-dione","","- C22 H15 Br N4 O2 -","- C22 H15 Br N4 O2 -","- C88 H60 Br4 N16 O8 -","4","1","","Cho, Eun Hee; Akhtar, Muhammad Saeed; Aslam, Mohammad; Thombal, Raju S.; Li, Xin; Shim, Jae-Jin; Lee, Yong Rok","Transition Metal-Catalyzed Regioselective Functionalization of Carbazoles and Indolines with Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01077A","","","0.71073","MoKα","","0.0754","0.0475","","","0.1042","0.1173","","","","","","1.033","","","","has coordinates","277086","2022-08-06","00:26:37",""
"7158812","5.834","0.001","18.34","0.0009","14.5","0.0011","90","","97.21","0.03","90","","1539.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Wang, Kai-Kai; Li, Yan-Li; Chen, Rongxiang; Jing, Jun; Zhao, Na-Na; Li, Zhi-Hui; Wang, Ming-Yue; Ji, Shuo-Ke","Synthesis of 1,3,5-trisubstituted pyrazoles via 1,3-dipolar cycloaddition of nitrile imines with ninhydrin-derived Morita−Baylis−Hillman carbonates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01253G","","","0.71073","MoKα","","0.2123","0.0786","","","0.1681","0.2139","","","","","","0.825","","","","has coordinates","277164","2022-08-09","01:15:55",""
"7158813","11.1944","0.0015","12.3535","0.0017","20.244","0.003","90","","90","","90","","2799.5","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 N3 O6 S -","- C29 H29 N3 O6 S -","- C116 H116 N12 O24 S4 -","4","1","","Wang, Kai-Kai; Li, Yan-Li; Chen, Rongxiang; Jing, Jun; Zhao, Na-Na; Li, Zhi-Hui; Wang, Ming-Yue; Ji, Shuo-Ke","Synthesis of 1,3,5-trisubstituted pyrazoles via 1,3-dipolar cycloaddition of nitrile imines with ninhydrin-derived Morita−Baylis−Hillman carbonates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01253G","","","0.71073","MoKα","","0.0622","0.0472","","","0.1252","0.1327","","","","","","1.067","","","","has coordinates","277164","2022-08-09","01:15:56",""
"7158814","7.4409","0.001","12.1832","0.0016","19.152","0.003","90","","91.399","0.002","90","","1735.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl N2 O2 -","- C20 H15 Cl N2 O2 -","- C80 H60 Cl4 N8 O8 -","4","1","","Yu, Xianglin; Tang, Zhiliang; He, Kun; Li, Weina; Lin, Jun; Jin, Yi","Catalyst-free highly regioselective hydrated ring-opening and formylation of quinazolinones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01234K","","","0.71073","MoKα","","0.0507","0.0379","","","0.1274","0.1404","","","","","","1.004","","","","has coordinates","277165","2022-08-09","01:16:42",""
"7158815","9.7631","0.0012","10.243","0.0014","10.4343","0.0013","90","","92.382","0.004","90","","1042.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F3 O -","- C12 H11 F3 O -","- C48 H44 F12 O4 -","4","1","","Golubev, Alexander S.; Ostapchuk, Petr N.; Strelkova, Tatyana V.; Kagramanov, Nikolai D.; Suponitsky, Kyrill; Takazova, Rina; Chkanikov, Nikolai D.","Synthesis of 4-trifluoromethyl-2H-chromenes via the reaction of 2-(trifluoroacetyl)phenols with vinyltriphenylphosphonium chloride","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01177H","","","0.71073","MoKα","","0.0753","0.0408","","","0.0999","0.1141","","","","","","1.01","","","","has coordinates","277181","2022-08-10","00:30:04",""
"7158816","8.6739","0.0013","6.6929","0.0011","10.886","0.0013","90","","98.484","0.005","90","","625.06","0.16","296","2","295.9","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","","Zhang, Sheng; Xie, Zhilong; Ye, Zhanqiang; Zhang, Mingyang; Li, Dongdeng; Yamaguchi, Masahiko; Bao, Ming","Synthesis of trans-Stilbenes via Phosphine-Catalyzed Coupling Reaction of Benzylic Halides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01237E","","","0.71073","MoKα","","0.0773","0.0594","","","0.1578","0.1705","","","","","","1.041","","","","has coordinates","277203","2022-08-11","00:38:17",""
"7158817","6.0447","0.0017","7.273","0.002","33.48","0.01","90","","90.036","0.012","90","","1471.9","0.7","296","2","295.9","","","","","","","","","3","P -1","-P 1","2","","","","- C H O -","- C1.67442 H1.48837 O0.372093 -","- C72 H64 O16 -","43","21.5","","Zhang, Sheng; Xie, Zhilong; Ye, Zhanqiang; Zhang, Mingyang; Li, Dongdeng; Yamaguchi, Masahiko; Bao, Ming","Synthesis of trans-Stilbenes via Phosphine-Catalyzed Coupling Reaction of Benzylic Halides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01237E","","","0.71073","MoKα","","0.1814","0.0739","","","0.1645","0.2054","","","","","","1.029","","","","has coordinates","277203","2022-08-11","00:38:18",""
"7158818","10.0686","0.0007","10.3684","0.0007","12.3317","0.0008","72.123","0.002","80.904","0.002","87.167","0.002","1209.81","0.14","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 N O4 -","- C27 H31 N O4 -","- C54 H62 N2 O8 -","2","1","","Chada, Raji Reddy; Kolgave, Dattahari H.; Ajaykumar, Uprety; Ramesh, Remya","Copper(II)-Catalyzed Oxidative ipso-Annulation of N-Arylpropiolamides and Biaryl Ynones with 1,3-Diketones: Construction of Diketoalkyl Spiro-trienones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01282K","","","0.71073","MoKα","","0.0927","0.0517","","","0.117","0.1382","","","","","","0.964","","","","has coordinates","277204","2022-08-11","00:39:06",""
"7158819","18.8869","0.0012","12.5379","0.0018","9.037","0.003","90","","99.986","0.005","90","","2107.6","0.8","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Chada, Raji Reddy; Kolgave, Dattahari H.; Ajaykumar, Uprety; Ramesh, Remya","Copper(II)-Catalyzed Oxidative ipso-Annulation of N-Arylpropiolamides and Biaryl Ynones with 1,3-Diketones: Construction of Diketoalkyl Spiro-trienones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01282K","","","0.71073","MoKα","","0.127","0.0583","","","0.1381","0.1743","","","","","","1.022","","","","has coordinates","277204","2022-08-11","00:39:06",""
"7158820","8.7602","0.0018","10.6","0.002","10.571","0.002","90","","111.369","0.006","90","","914.1","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C42 H38 N2 O8 -","2","1","","Chada, Raji Reddy; Kolgave, Dattahari H.; Ajaykumar, Uprety; Ramesh, Remya","Copper(II)-Catalyzed Oxidative ipso-Annulation of N-Arylpropiolamides and Biaryl Ynones with 1,3-Diketones: Construction of Diketoalkyl Spiro-trienones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01282K","","","0.71073","MoKα","","0.1197","0.0534","","","0.1244","0.1511","","","","","","0.986","","","","has coordinates","277204","2022-08-11","00:39:07",""
"7158821","11.6384","0.0006","10.1354","0.0004","23.754","0.0013","90","","93.521","0.005","90","","2796.7","0.2","293.23","0.1","293.23","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 F N O4 -","- C14 H16 F N O4 -","- C112 H128 F8 N8 O32 -","8","2","","Zhang, Wentao; Sun, Minghao; You, Kejia; Pang, Yunfei; Ma, Baochun","Metal-free aminofluorination of α-diazo 2H-benzopyran-4-one: Convenient access to β-fluoramides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01089E","","x-ray","0.71073","MoKα","","0.1374","0.0726","","","0.1742","0.2293","","","","","","1.049","","","","has coordinates","277211","2022-08-12","00:21:46",""
"7158822","10.6683","0.0003","9.5705","0.0003","30.9059","0.0009","90","","93.539","0.003","90","","3149.5","0.16","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F N O3 -","- C18 H16 F N O3 -","- C144 H128 F8 N8 O24 -","8","2","","Zhang, Wentao; Sun, Minghao; You, Kejia; Pang, Yunfei; Ma, Baochun","Metal-free aminofluorination of α-diazo 2H-benzopyran-4-one: Convenient access to β-fluoramides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01089E","","x-ray","1.54184","CuKα","","0.0549","0.0429","","","0.1104","0.1205","","","","","","1.036","","","","has coordinates","277211","2022-08-12","00:21:46",""
"7158823","29.2329","0.0006","29.2329","0.0006","6.01889","0.00012","90","","90","","120","","4454.42","0.16","298","2","298","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C21 H16 F3 N O S2 -","- C21 H16 F3 N O S2 -","- C189 H144 F27 N9 O9 S18 -","9","1","","Soni, Sonam; Shukla, Gaurav; Singh, Maya Shankar","Magnesium catalyzed [3 + 3] heteroannulation of α-enolic dithioesters with MBH acetate: access to functionalized 3,4-dihydro-2H-thiopyrans","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01258H","","x-ray","1.54184","CuKα","","0.0441","0.0435","","","0.126","0.1271","","","","","","1.0765","","","","has coordinates","277235","2022-08-13","00:41:17",""
"7158824","14.9969","0.0002","15.45226","0.00017","19.0015","0.0002","88.0358","0.0009","84.5699","0.001","88.8661","0.001","4380.39","0.09","298","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C91.537 H92 N4 O16 S8 -","- C91.537 H92 N4 O16 S8 -","- C183.074 H184 N8 O32 S16 -","2","1","","Soni, Sonam; Shukla, Gaurav; Singh, Maya Shankar","Magnesium catalyzed [3 + 3] heteroannulation of α-enolic dithioesters with MBH acetate: access to functionalized 3,4-dihydro-2H-thiopyrans","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01258H","","x-ray","1.54184","CuKα","","0.0783","0.0679","","","0.1748","0.1821","","","","","","1.0169","","","","has coordinates,has disorder","277235","2022-08-13","00:41:18",""
"7158825","9.7089","0.0008","14.351","0.0012","14.2749","0.0015","90","","106.946","0.01","90","","1902.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O5 -","- C23 H19 N O5 -","- C92 H76 N4 O20 -","4","1","","Surya Prakash Rao, H.; Prabakaran, M.; Muthanna, Nandurka","Synthesis of 7-hydroxydibenzopyran-6-ones via benzannulation of coumarins","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01203K","","","0.71073","MoKα","","0.0729","0.046","","","0.133","0.1567","","","","","","0.952","","","","has coordinates","277299","2022-08-18","00:36:50",""
"7158826","6.6654","0.0004","9.624","0.0005","12.5534","0.0007","102.129","0.004","104.972","0.005","94.329","0.005","753.36","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H6 F3 N O6 S -","- C15 H6 F3 N O6 S -","- C30 H12 F6 N2 O12 S2 -","2","1","","Surya Prakash Rao, H.; Prabakaran, M.; Muthanna, Nandurka","Synthesis of 7-hydroxydibenzopyran-6-ones via benzannulation of coumarins","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01203K","","","0.7107","MoKα","","0.066","0.0487","","","0.1273","0.1408","","","","","","1.035","","","","has coordinates","277299","2022-08-18","00:36:51",""
"7158827","5.5406","0.0003","8.3315","0.0005","27.8631","0.0012","90","","90","","90","","1286.2","0.12","292.95","0.1","292.95","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Br N2 -","- C15 H11 Br N2 -","- C60 H44 Br4 N8 -","4","1","","Chen, Lianmei; Zhou, Chuang; Li, Jing; Li, Jun; Guo, Xiaoqiang; Kang, Tai-Ran","Copper-catalyzed reactions of α,β-unsaturated N-tosylhydrazones with diaryliodonium salts to construct N-arylpyrazoles and diaryl sulfones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01338J","","x-ray","1.54184","CuKα","","0.0917","0.0804","","","0.2372","0.2596","","","","","","1.083","","","","has coordinates","277300","2022-08-18","00:37:26",""
"7158828","8.1266","0.0003","24.3656","0.0008","7.7718","0.0002","90","","110.298","0.004","90","","1443.33","0.09","295.13","0.1","295.13","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C64 H72 O8 S4 -","4","1","","Chen, Lianmei; Zhou, Chuang; Li, Jing; Li, Jun; Guo, Xiaoqiang; Kang, Tai-Ran","Copper-catalyzed reactions of α,β-unsaturated N-tosylhydrazones with diaryliodonium salts to construct N-arylpyrazoles and diaryl sulfones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01338J","","x-ray","1.54184","CuKα","","0.0645","0.0556","","","0.1556","0.168","","","","","","1.048","","","","has coordinates","277300","2022-08-18","00:37:27",""
"7158829","9.8628","0.0003","11.0438","0.0006","12.7968","0.0007","73.419","0.005","86.038","0.004","82.267","0.004","1323.06","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H23 Br2 N2 O6 P S -","- C23 H23 Br2 N2 O6 P S -","- C46 H46 Br4 N4 O12 P2 S2 -","2","1","","Natarajan, K.; Sharma, Suraj; C. P., Irfana Jesin; Kataria, Ramesh; Nandi, Ganesh Chandra","One-pot Synthesis of α-sulfoximinophosphonate via Kabachnik–Fields Reactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01355J","","x-ray","0.71073","MoKα","","0.1063","0.054","","","0.0962","0.1098","","","","","","1.019","","","","has coordinates","277337","2022-08-20","00:39:56",""
"7158830","17.026","0.003","13.546","0.002","8.1803","0.0014","90","","90","","90","","1886.7","0.5","100","2","100","2","","","","","","","no","4","P n m a","-P 2ac 2n","62","TripPh(NO2)2","(dinitrophenyl)triptycene","","- C26 H16 N2 O4 -","- C26 H16 N2 O4 -","- C104 H64 N8 O16 -","4","0.5","","Inami, Hazuki; Inagaki, Yusuke; Setaka, Wataru","Design of Rotational Potential in Phenyltriptycene Molecular Rotor by Exploiting CH/π-Interaction between Tripticil Hydrogen and Phenyl","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01179D","","","1.54178","CuKα","","0.0394","0.0393","","","0.0964","0.0965","","","","","","1.054","","","","has coordinates","277341","2022-08-21","00:16:58",""
"7158831","15.5816","0.0004","9.3605","0.0002","31.6875","0.0008","90","","90","","90","","4621.67","0.19","173","2","173","2","","","","","","","no","4","P c a 21","P 2c -2ac","29","(OMe)2PhTripCl3","PhenylTriptyceneDeriv.","","- C28 H19 Cl3 O2 -","- C28 H19 Cl3 O2 -","- C224 H152 Cl24 O16 -","8","2","","Inami, Hazuki; Inagaki, Yusuke; Setaka, Wataru","Design of Rotational Potential in Phenyltriptycene Molecular Rotor by Exploiting CH/π-Interaction between Tripticil Hydrogen and Phenyl","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01179D","","","1.54178","CuKα","","0.0638","0.06","","","0.1566","0.159","","","","","","1.09","","","","has coordinates,has disorder","277341","2022-08-21","00:16:59",""
"7158832","8.5809","0.0001","16.4594","0.0003","20.4778","0.0004","105.107","0.001","97.673","0.001","96.14","0.001","2736.72","0.08","100","2","100","2","","","","","","","no","3","P -1","-P 1","2","TripPh(NH2)2","(diaminophenyl)triptycene","","- C26 H20 N2 -","- C26 H20 N2 -","- C156 H120 N12 -","6","3","","Inami, Hazuki; Inagaki, Yusuke; Setaka, Wataru","Design of Rotational Potential in Phenyltriptycene Molecular Rotor by Exploiting CH/π-Interaction between Tripticil Hydrogen and Phenyl","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01179D","","","1.54178","CuKα","","0.0539","0.0467","","","0.1175","0.1225","","","","","","1.027","","","","has coordinates","277341","2022-08-21","00:16:59",""
"7158833","9.9201","0.0003","7.5619","0.0002","18.7671","0.0005","90","","99.478","0.001","90","","1388.59","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl N O2 S -","- C15 H14 Cl N O2 S -","- C60 H56 Cl4 N4 O8 S4 -","4","1","","Banerjee, Arpita; Panda, Gautam","Transition metal-free, base mediated one-pot approach for the construction of the benzo[b][1,4,5]oxathiazepine 1-oxide core","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01158A","","","0.71073","MoKα","","0.0375","0.03","","","0.1084","0.1158","","","","","","0.925","","","","has coordinates","277351","2022-08-23","00:29:55",""
"7158834","8.482","0.0005","9.2719","0.0006","20.5792","0.0012","90","","95.217","0.002","90","","1611.73","0.17","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Cl N O2 S -","- C17 H18 Cl N O2 S -","- C68 H72 Cl4 N4 O8 S4 -","4","1","","Banerjee, Arpita; Panda, Gautam","Transition metal-free, base mediated one-pot approach for the construction of the benzo[b][1,4,5]oxathiazepine 1-oxide core","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01158A","","","0.71073","MoKα","","0.0438","0.035","","","0.112","0.1292","","","","","","0.895","","","","has coordinates","277351","2022-08-23","00:29:56",""
"7158835","12.3719","0.0009","11.052","0.0009","18.6624","0.0014","90","","103.575","0.002","90","","2480.5","0.3","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br Cl2 N O3 -","- C27 H22 Br Cl2 N O3 -","- C108 H88 Br4 Cl8 N4 O12 -","4","1","","Zhang, Jun-Hao; Jiang, Li-Lin; Hu, Sen-Jie; Li, Jiao-Zhe; Yu, Xuan-Chi; Liu, Fa-Liang; Guan, Yu-Tao; Lei, Ke-Wei; Wei, Wen-Ting","The polychloromethylation/acyloxylation of 1,6-enynes with chloroalkanes and diacyl peroxides through dual-role designs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01330D","","","0.71073","MoKα","","0.0934","0.0425","","","0.0799","0.0973","","","","","","1.005","","","","has coordinates","277352","2022-08-23","00:31:14",""
"7158836","9.3139","0.0003","10.3854","0.0003","24.6159","0.0007","90","","90.422","0.002","90","","2381","0.12","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-isobutyl ACPC tetramer","","- C46 H78 F3 N5 O7 -","- C46 H78 F3 N5 O7 -","- C92 H156 F6 N10 O14 -","2","1","","Kim, Jungyeon; Kobayashi, Hiroka; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Takeuchi, Koh; Umezawa, Koji; Kuroda, Daisuke; Tsumoto, Kouhei; Morimoto, Jumpei; Sando, Shinsuke","Residue-based program of a β-peptoid twisted strand shape via a cyclopentane constraint","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01300B","","","1.54184","CuKα","","0.0393","0.0363","","","0.0943","0.0963","","","","","","1.0556","","","","has coordinates","277353","2022-08-23","00:31:39",""
"7158837","6.309","0.002","9.725","0.003","13.99","0.02","72.28","0.03","86.43","0.03","86.25","0.03","815.1","1.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O8 -","- C14 H18 N2 O8 -","- C28 H36 N4 O16 -","2","1","","Zeng, Yao-Fu; Wu, Jin-Bo; Chen, Jin-Tao; Guo, Yu; Wang, Zhen","Oxidative functionalization of alkylidenecyclopropanes and alkylidenecyclobutanes: a versatile platform to access nitrated cyclopropanes and cyclobutanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01426B","","","0.71073","MoKα","","0.1103","0.0504","","","0.102","0.1307","","","","","","1.035","","","","has coordinates","277354","2022-08-23","00:32:19",""
"7158838","9.438","0.003","11.99","0.003","12.647","0.004","74.614","0.007","89.797","0.007","77.565","0.007","1345.3","0.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","2","","Zeng, Yao-Fu; Wu, Jin-Bo; Chen, Jin-Tao; Guo, Yu; Wang, Zhen","Oxidative functionalization of alkylidenecyclopropanes and alkylidenecyclobutanes: a versatile platform to access nitrated cyclopropanes and cyclobutanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01426B","","","0.71073","MoKα","","0.1332","0.0557","","","0.1203","0.1587","","","","","","0.987","","","","has coordinates","277354","2022-08-23","00:32:19",""
"7158839","12.7017","0.0018","20.368","0.003","10.6831","0.0015","90","","91.573","0.005","90","","2762.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 N3 O5 -","- C32 H29 N3 O5 -","- C128 H116 N12 O20 -","4","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.085","0.0491","","","0.1139","0.1304","","","","","","1.02","","","","has coordinates","277399","2022-08-25","00:35:20",""
"7158840","9.2939","0.0012","11.4737","0.0017","13.2237","0.0018","78.635","0.005","87.607","0.004","75.843","0.004","1340.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cl N3 O5 -","- C31 H26 Cl N3 O5 -","- C62 H52 Cl2 N6 O10 -","2","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.0786","0.0483","","","0.1079","0.1224","","","","","","1.035","","","","has coordinates,has disorder","277399","2022-08-25","00:35:24",""
"7158841","13.014","0.0014","11.128","0.0011","21.958","0.003","90","","94.274","0.004","90","","3171.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cl3 N3 O5 -","- C33 H30 Cl3 N3 O5 -","- C132 H120 Cl12 N12 O20 -","4","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.1313","0.069","","","0.1786","0.1993","","","","","","1.075","","","","has coordinates","277399","2022-08-25","00:35:26",""
"7158842","9.4166","0.0004","11.3916","0.0005","24.6355","0.0011","90","","94.6982","0.0015","90","","2633.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl N3 O5 -","- C30 H24 Cl N3 O5 -","- C120 H96 Cl4 N12 O20 -","4","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.0808","0.0435","","","0.0942","0.1101","","","","","","1.019","","","","has coordinates","277399","2022-08-25","00:35:36",""
"7158843","18.3989","0.0011","11.162","0.0007","12.1197","0.0007","90","","95.609","0.002","90","","2477.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Cl N4 O3 -","- C29 H21 Cl N4 O3 -","- C116 H84 Cl4 N16 O12 -","4","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.1168","0.0511","","","0.0954","0.1164","","","","","","1.013","","","","has coordinates","277399","2022-08-25","00:35:38",""
"7158844","9.0131","0.0009","10.5429","0.0011","14.4302","0.0014","88.781","0.003","86.492","0.003","74.875","0.003","1321.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N4 O5 -","- C32 H26 N4 O5 -","- C64 H52 N8 O10 -","2","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.1212","0.0784","","","0.1841","0.2125","","","","","","1.016","","","","has coordinates","277399","2022-08-25","00:35:41",""
"7158845","9.6086","0.001","29.328","0.003","9.6428","0.0011","90","","101.287","0.003","90","","2664.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N4 O5 -","- C29 H28 N4 O5 -","- C116 H112 N16 O20 -","4","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.1006","0.0551","","","0.1232","0.1436","","","","","","1.018","","","","has coordinates","277399","2022-08-25","00:35:43",""
"7158846","11.1314","0.0006","9.2504","0.0005","25.5543","0.0016","90","","100.241","0.002","90","","2589.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N4 O5 -","- C29 H28 N4 O5 -","- C116 H112 N16 O20 -","4","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.1178","0.0704","","","0.2111","0.2351","","","","","","1.062","","","","has coordinates,has disorder","277399","2022-08-25","00:35:43",""
"7158847","8.638","0.001","13.375","0.001","13.204","0.001","90","","94.7","0.01","90","","1520.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-1,4-dihydro -1 lambda[6]-[1,2] thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Zhao, Chun-Xue; Liu, Hui; Zhang, Xin; Yang, Meng-Yue; Wang, Yue-Tong; Xing, Yi-Jia; Hua, Jun-Xin; Zhang, Qin; Li, Da-Hong; Bai, Jiao; Jing, Yong-Kui; Hua, Hui-Ming","Cephalotaxine-type and homoerythrina-type alkaloids with antiproliferative effects from Cephalotaxus fortunei","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01242A","","","0.71073","MoKa","","0.0523","0.0352","","0.0975","0.0841","","","","1.044","1.05","1.05","","","","","has coordinates","277406","2022-08-26","00:32:38",""
"7158848","9.2538","0.0003","9.4315","0.0003","11.3689","0.0003","90","","95.714","0.001","90","","987.32","0.05","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O7 -","- C20 H31 N O7 -","- C40 H62 N2 O14 -","2","1","","Zhao, Chun-Xue; Liu, Hui; Zhang, Xin; Yang, Meng-Yue; Wang, Yue-Tong; Xing, Yi-Jia; Hua, Jun-Xin; Zhang, Qin; Li, Da-Hong; Bai, Jiao; Jing, Yong-Kui; Hua, Hui-Ming","Cephalotaxine-type and homoerythrina-type alkaloids with antiproliferative effects from Cephalotaxus fortunei","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01242A","","","1.54178","CuKα","","0.025","0.0246","","","0.064","0.0645","","","","","","1.047","","","","has coordinates","277406","2022-08-26","00:32:39",""
"7158849","7.881","0.0006","27.687","0.002","7.9772","0.0006","90","","100.257","0.003","90","","1712.8","0.2","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H44 Cl4 N2 O11 -","- C36 H44 Cl4 N2 O11 -","- C72 H88 Cl8 N4 O22 -","2","1","","Zhao, Chun-Xue; Liu, Hui; Zhang, Xin; Yang, Meng-Yue; Wang, Yue-Tong; Xing, Yi-Jia; Hua, Jun-Xin; Zhang, Qin; Li, Da-Hong; Bai, Jiao; Jing, Yong-Kui; Hua, Hui-Ming","Cephalotaxine-type and homoerythrina-type alkaloids with antiproliferative effects from Cephalotaxus fortunei","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01242A","","","1.54178","CuKα","","0.1136","0.1085","","","0.2935","0.3041","","","","","","1.571","","","","has coordinates","277406","2022-08-26","00:32:39",""
"7158850","5.6689","0.0001","10.2755","0.0001","27.477","0.0004","90","","90","","90","","1600.56","0.04","153","2","153","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 -","- C23 H20 -","- C92 H80 -","4","1","","Zhang, Zhebing; Cai, Tao; Zhan, Zhaohui; Xu, Huiting; Yu, Lemao; Luo, Xiang; Li, Chunmei; Gao, Yuzhen; Wei, Xuemei; Chen, Xinzhi; Shen, Run-pu","Assembly of 5H-dibenzo[a,d]cycloheptenes by a formal [5 + 2] annulation of ortho-aryl alkynyl benzyl alcohols with arenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01335E","","","1.54184","CuKα","","0.0365","0.035","","","0.0908","0.0919","","","","","","1.05","","","","has coordinates","277418","2022-08-27","01:20:04",""
"7158851","9.3178","0.0007","9.5087","0.0006","12.5697","0.001","75.759","0.007","74.144","0.007","73.026","0.007","1007.77","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C50 H36 N4 O2 S2 -","2","1","","Shen, Jian; Li, Shumin; Yao, Zhenyu; Lin, Shenghui; Cui, Xiuling","Base-promoted Cyclization Reaction of o-Isothiocyanato Arylacetylenes and Aroylacetonitriles: Easy Access to Benzo[d][1,3]thiazines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01424F","","x-ray","1.54184","CuKα","","0.0618","0.0469","","","0.123","0.1389","","","","","","1.017","","","","has coordinates","277419","2022-08-27","01:20:32",""
"7158852","7.4021","0.0002","23.2039","0.0006","8.3106","0.0002","90","","103.9","0.001","90","","1385.61","0.06","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","1","","Turmanov, Rakhymzhan A.; Smolobochkin, Andrey V.; Gazizov, Almir S.; Rizbayeva, Tanzilya S.; Zapylkin, Danil D.; Voronina, Julia K.; Voloshina, Alexandra D.; Syakaev, Victor V.; Kurenkov, Alexey V.; Burilov, Alexander R.; Pudovik, Michail A.","Enamine-mediated Mannich reaction of cyclic N,O-acetals and amido acetals: the multigram synthesis of pyrrolidine alkaloid precursors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01276F","","","0.71073","MoKα","","0.0542","0.0505","","","0.1189","0.1211","","","","","","1.102","","","","has coordinates","277526","2022-09-01","00:49:10",""
"7158853","13.029","0.003","8.265","0.002","14.612","0.003","90","","99.696","0.008","90","","1551","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Turmanov, Rakhymzhan A.; Smolobochkin, Andrey V.; Gazizov, Almir S.; Rizbayeva, Tanzilya S.; Zapylkin, Danil D.; Voronina, Julia K.; Voloshina, Alexandra D.; Syakaev, Victor V.; Kurenkov, Alexey V.; Burilov, Alexander R.; Pudovik, Michail A.","Enamine-mediated Mannich reaction of cyclic N,O-acetals and amido acetals: the multigram synthesis of pyrrolidine alkaloid precursors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01276F","","","0.71073","MoKα","","0.0682","0.0501","","","0.1178","0.1276","","","","","","1.043","","","","has coordinates","277526","2022-09-01","00:49:11",""
"7158854","21.211","0.009","9.495","0.004","9.43","0.004","90","","100.051","0.011","90","","1870","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C80 H92 N4 O16 S4 -","4","1","","Turmanov, Rakhymzhan A.; Smolobochkin, Andrey V.; Gazizov, Almir S.; Rizbayeva, Tanzilya S.; Zapylkin, Danil D.; Voronina, Julia K.; Voloshina, Alexandra D.; Syakaev, Victor V.; Kurenkov, Alexey V.; Burilov, Alexander R.; Pudovik, Michail A.","Enamine-mediated Mannich reaction of cyclic N,O-acetals and amido acetals: the multigram synthesis of pyrrolidine alkaloid precursors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01276F","","","0.71073","MoKα","","0.0745","0.0492","","","0.1003","0.1114","","","","","","1.033","","","","has coordinates","277526","2022-09-01","00:49:11",""
"7158855","7.4433","0.0004","23.3631","0.0013","8.2238","0.0004","90","","103.848","0.002","90","","1388.54","0.13","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cl N O3 S -","- C13 H16 Cl N O3 S -","- C52 H64 Cl4 N4 O12 S4 -","4","1","","Turmanov, Rakhymzhan A.; Smolobochkin, Andrey V.; Gazizov, Almir S.; Rizbayeva, Tanzilya S.; Zapylkin, Danil D.; Voronina, Julia K.; Voloshina, Alexandra D.; Syakaev, Victor V.; Kurenkov, Alexey V.; Burilov, Alexander R.; Pudovik, Michail A.","Enamine-mediated Mannich reaction of cyclic N,O-acetals and amido acetals: the multigram synthesis of pyrrolidine alkaloid precursors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01276F","","","0.71073","MoKα","","0.0475","0.0387","","","0.0895","0.0936","","","","","","1.066","","","","has coordinates","277526","2022-09-01","00:49:11",""
"7158856","37.3753","0.0009","7.6042","0.0003","11.9845","0.0005","90","","93.18","0.001","90","","3400.9","0.2","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","2","","Turmanov, Rakhymzhan A.; Smolobochkin, Andrey V.; Gazizov, Almir S.; Rizbayeva, Tanzilya S.; Zapylkin, Danil D.; Voronina, Julia K.; Voloshina, Alexandra D.; Syakaev, Victor V.; Kurenkov, Alexey V.; Burilov, Alexander R.; Pudovik, Michail A.","Enamine-mediated Mannich reaction of cyclic N,O-acetals and amido acetals: the multigram synthesis of pyrrolidine alkaloid precursors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01276F","","","0.71073","MoKα","","0.0832","0.0621","","","0.126","0.1357","","","","","","1.095","","","","has coordinates,has disorder","277526","2022-09-01","00:49:11",""
"7158857","60.154","0.007","7.6235","0.0012","41.742","0.006","90","","121.812","0.004","90","","16267","4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C168 H202 N16 O37 S12 -","- C168 H202 N16 O37 S12 -","- C672 H808 N64 O148 S48 -","4","0.5","","Turmanov, Rakhymzhan A.; Smolobochkin, Andrey V.; Gazizov, Almir S.; Rizbayeva, Tanzilya S.; Zapylkin, Danil D.; Voronina, Julia K.; Voloshina, Alexandra D.; Syakaev, Victor V.; Kurenkov, Alexey V.; Burilov, Alexander R.; Pudovik, Michail A.","Enamine-mediated Mannich reaction of cyclic N,O-acetals and amido acetals: the multigram synthesis of pyrrolidine alkaloid precursors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01276F","","","0.71073","MoKα","","0.2177","0.0993","","","0.2245","0.2912","","","","","","1.006","","","","has coordinates","277526","2022-09-01","00:49:11",""
"7158858","5.4394","0.0009","25.596","0.005","30.105","0.007","90","","90","","90","","4191.4","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H66 N6 -","- C48 H66 N6 -","- C192 H264 N24 -","4","1","","Skowronek, Paweł; Prusinowska, Natalia; Bardziński, Mateusz; Janiak, Agnieszka","Symmetry-driven diastereoselective functionalization of simple trianglamine","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01226J","","","0.71073","MoKα","","0.2355","0.1071","","","0.2084","0.2887","","","","","","0.974","","","","has coordinates","277527","2022-09-01","00:51:19",""
"7158859","16.4016","0.0006","7.9236","0.0002","21.2919","0.0007","90","","98.009","0.003","90","","2740.1","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H88 N6 -","- C62 H88 N6 -","- C124 H176 N12 -","2","1","","Skowronek, Paweł; Prusinowska, Natalia; Bardziński, Mateusz; Janiak, Agnieszka","Symmetry-driven diastereoselective functionalization of simple trianglamine","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01226J","","","0.71073","MoKα","","0.0757","0.0523","","","0.0961","0.106","","","","","","1.028","","","","has coordinates","277527","2022-09-01","00:51:19",""
"7158860","9.4631","0.0007","12.7155","0.0011","19.298","0.0007","86.28","0.005","89.524","0.004","87.865","0.007","2315.5","0.3","130","2","130","2","","","","","","","","3","P 1","P 1","1","","","","- C51 H72 N6 -","- C51 H72 N6 -","- C102 H144 N12 -","2","2","","Skowronek, Paweł; Prusinowska, Natalia; Bardziński, Mateusz; Janiak, Agnieszka","Symmetry-driven diastereoselective functionalization of simple trianglamine","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01226J","","","1.54184","CuKα","","0.0986","0.0704","","","0.1841","0.2076","","","","","","1.023","","","","has coordinates","277527","2022-09-01","00:51:19",""
"7158861","6.3881","0.0004","11.947","0.0007","15.7014","0.0009","90","","98.325","0.003","90","","1185.68","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 N O6 -","- C28 H35 N O6 -","- C56 H70 N2 O12 -","2","1","","He, Juan; Yu, Wei-Wei; Isaka, Masahiko; Cox, Russell J.; Liu, Ji-Kai; Feng, Tao","Antroxazole A, an oxazole-containing chamigrane dimer from the fungus Antrodiella albocinnamomea with immunosuppressive activity","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01443B","","","1.54178","CuKα","","0.0482","0.041","","","0.1094","0.1168","","","","","","0.85","","","","has coordinates","277528","2022-09-01","00:52:11",""
"7158862","16.672","0.006","11.449","0.004","11.109","0.004","90","","94.864","0.01","90","","2112.8","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C108 H100 N4 O8 -","4","1","","Yashmin, Sabina; Mondal, Santa; Das, Riyanka; Banerjee, Priyabrata; Khan, Abu Taleb","Regioselective synthetic approach for key precursors of 6-aryl benzo[c]phenanthridin-10-ol derivatives: A useful compound for selective chromogenic recognition of fluoride","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01260J","","","0.71073","MoKα","","0.1536","0.0796","","","0.1904","0.2403","","","","","","1.18","","","","has coordinates","277571","2022-09-02","00:38:14",""
"7158863","19.9343","0.0014","7.2169","0.0005","20.77","0.0014","90","","104.434","0.007","90","","2893.7","0.4","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 I N2 O S -","- C16 H9 I N2 O S -","- C128 H72 I8 N16 O8 S8 -","8","2","","Fang, Yu; Ren, Shangfeng; He, Chen; Han, Huiqi; Liu, Jin-Biao; Liao, Fumin; Yang, Min","Selective halocyclization and iodosulfonylation of <i>N</i>-benzothiazol-2-yl alkynamides under mild conditions.","Organic & biomolecular chemistry","2022","20","33","6550","6553","10.1039/d2ob01165d","","x-ray","0.71073","MoKα","","0.0731","0.0432","","","0.08","0.094","","","","","","1.022","","","","has coordinates","277631","2022-09-05","21:19:29",""
"7158864","13.3918","0.0015","6.3858","0.0009","62.756","0.005","90","","94.619","0.009","90","","5349.3","1.1","190","2","190","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C29 H51.5 O1.75 -","- C29 H51.5 O1.75 -","- C232 H412 O14 -","8","2","","Churchman, Luke R.; Salisbury, Lauren J.; De Voss, James Joseph","Synthesis of Obtusifoliol and Analogues as CYP51 Substrates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01307J","","x-ray","1.54184","CuKα","","0.0832","0.0588","","","0.1298","0.1443","","","","","","1.039","","","","has coordinates","277701","2022-09-07","00:35:15",""
"7158865","7.5911","0.0003","15.4627","0.0009","22.8695","0.001","90","","90","","90","","2684.4","0.2","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H49 N -","- C30 H49 N -","- C120 H196 N4 -","4","1","","Churchman, Luke R.; Salisbury, Lauren J.; De Voss, James Joseph","Synthesis of Obtusifoliol and Analogues as CYP51 Substrates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01307J","","x-ray","1.54184","CuKα","","0.0613","0.0538","","","0.1439","0.1519","","","","","","1.036","","","","has coordinates","277701","2022-09-07","00:35:15",""
"7158866","7.5487","0.0003","9.0604","0.0003","19.9497","0.0008","90","","99.087","0.004","90","","1347.32","0.09","190","2","190","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48.8 O -","- C30 H48.8 O -","- C60 H97.6 O2 -","2","1","","Churchman, Luke R.; Salisbury, Lauren J.; De Voss, James Joseph","Synthesis of Obtusifoliol and Analogues as CYP51 Substrates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01307J","","x-ray","1.54184","CuKα","","0.0473","0.045","","","0.1169","0.12","","","","","","1.072","","","","has coordinates,has disorder","277701","2022-09-07","00:35:15",""
"7158867","8.379","0.0013","10.2477","0.0016","12.547","0.002","94.605","0.003","108.73","0.004","98.534","0.004","999.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O6 -","- C22 H20 N2 O6 -","- C44 H40 N4 O12 -","2","1","","Gómez-Prado, Raúl A.; Silva, Ana L.; Miranda, Luis D.","Synthesis of nuevamine and a cyano-chilenine analog via divergent C(sp3)–H bond functionalization of isoindolinone derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01304E","","","0.71073","MoKα","","0.0943","0.0558","","","0.134","0.1607","","","","","","1.066","","","","has coordinates","277731","2022-09-08","00:47:17",""
"7158868","9.0958","0.0002","11.0238","0.0003","16.3016","0.0003","90","","98.035","0.002","90","","1618.52","0.06","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 F O4 S -","- C19 H17 F O4 S -","- C76 H68 F4 O16 S4 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0415","0.0332","","","0.0755","0.0783","","","","","","1.037","","","","has coordinates","277744","2022-09-09","00:34:48",""
"7158869","10.5216","0.0003","14.9812","0.0004","15.0603","0.0003","114.737","0.002","100.424","0.002","104.503","0.002","1974.08","0.11","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12.5 F0.5 O1.5 S0.5 -","- C11 H12.5 F0.5 O1.5 S0.5 -","- C88 H100 F4 O12 S4 -","8","4","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0626","0.0432","","","0.1083","0.115","","","","","","1.079","","","","has coordinates","277744","2022-09-09","00:34:49",""
"7158870","5.5686","0.0002","9.5682","0.0003","15.1726","0.0005","105.346","0.003","92.676","0.002","102.631","0.003","756.02","0.05","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 O3 S -","- C16 H22 O3 S -","- C32 H44 O6 S2 -","2","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.067","0.0572","","","0.1449","0.1489","","","","","","1.088","","","","has coordinates","277744","2022-09-09","00:34:49",""
"7158871","8.1912","0.0003","6.0583","0.0002","25.2332","0.0011","90","","92.806","0.004","90","","1250.69","0.08","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O4 S -","- C13 H16 O4 S -","- C52 H64 O16 S4 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0921","0.0854","","","0.205","0.207","","","","","","1.195","","","","has coordinates","277744","2022-09-09","00:34:49",""
"7158872","8.1798","0.0003","8.2382","0.0004","12.9438","0.0007","88.093","0.004","81.665","0.004","73.51","0.004","827.5","0.07","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 F O3 S -","- C19 H19 F O3 S -","- C38 H38 F2 O6 S2 -","2","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0459","0.0375","","","0.0928","0.0971","","","","","","1.06","","","","has coordinates","277744","2022-09-09","00:34:49",""
"7158873","6.8713","0.0001","10.4176","0.0003","11.8932","0.0003","99.558","0.002","105.692","0.002","96.77","0.002","796.27","0.03","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F O3 S -","- C18 H17 F O3 S -","- C36 H34 F2 O6 S2 -","2","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0484","0.0416","","","0.1025","0.1059","","","","","","1.076","","","","has coordinates","277744","2022-09-09","00:34:50",""
"7158874","5.8863","0.0001","9.489","0.0002","29.6414","0.0007","90","","90","","90","","1655.62","0.06","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 F2 O3 S -","- C19 H18 F2 O3 S -","- C76 H72 F8 O12 S4 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0336","0.0314","","","0.0767","0.078","","","","","","1.034","","","","has coordinates","277744","2022-09-09","00:34:50",""
"7158875","14.9529","0.0003","7.5254","0.0001","15.8144","0.0003","90","","106.409","0.002","90","","1707.06","0.06","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl F O3 S -","- C19 H18 Cl F O3 S -","- C76 H72 Cl4 F4 O12 S4 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0343","0.0307","","","0.0783","0.0799","","","","","","1.062","","","","has coordinates","277744","2022-09-09","00:34:50",""
"7158876","14.5435","0.0003","6.0581","0.0002","20.5872","0.0004","90","","93.464","0.002","90","","1810.54","0.08","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Cl O4 S -","- C19 H23 Cl O4 S -","- C76 H92 Cl4 O16 S4 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0346","0.0315","","","0.0821","0.0838","","","","","","1.074","","","","has coordinates","277744","2022-09-09","00:34:50",""
"7158877","9.631","0.0002","19.7773","0.0004","20.869","0.0004","90","","90","","90","","3975.03","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F3 N2 O4 -","- C19 H25 F3 N2 O4 -","- C152 H200 F24 N16 O32 -","8","2","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.0357","0.032","","","0.0757","0.0779","","","","","","1.081","","","","has coordinates","277745","2022-09-09","00:36:23",""
"7158878","9.8654","0.0002","19.9514","0.0004","21.5323","0.0004","90","","90","","90","","4238.17","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F5 N2 O4 -","- C20 H25 F5 N2 O4 -","- C160 H200 F40 N16 O32 -","8","2","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.0304","0.0272","","","0.0619","0.0633","","","","","","1.06","","","","has coordinates","277745","2022-09-09","00:36:23",""
"7158879","6.2877","0.0003","16.4671","0.0006","21.5393","0.0008","90","","90","","90","","2230.18","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F5 N2 O4 -","- C20 H25 F5 N2 O4 -","- C80 H100 F20 N8 O16 -","4","1","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.1012","0.065","","","0.1097","0.1237","","","","","","1.09","","","","has coordinates","277745","2022-09-09","00:36:23",""
"7158880","10.892","0.0003","9.1572","0.0003","20.2956","0.0006","90","","92.65","0.002","90","","2022.12","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 F3 N2 O4 -","- C19 H25 F3 N2 O4 -","- C76 H100 F12 N8 O16 -","4","2","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.0885","0.0662","","","0.1643","0.1822","","","","","","1.025","","","","has coordinates,has disorder","277745","2022-09-09","00:36:23",""
"7158881","9.197","0.0002","10.9472","0.0002","21.0651","0.0004","90","","90","","90","","2120.86","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F5 N2 O4 -","- C20 H25 F5 N2 O4 -","- C80 H100 F20 N8 O16 -","4","1","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.0261","0.025","","","0.06","0.0608","","","","","","1.073","","","","has coordinates","277745","2022-09-09","00:36:24",""
"7158882","21.345","0.003","3.9444","0.0005","14.7541","0.0019","90","","100.455","0.005","90","","1221.6","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H9 Cl O S -","- C15 H9 Cl O S -","- C60 H36 Cl4 O4 S4 -","4","1","","Soundarya, Palanisamy; Sekar, Govindasamy","Cu-Catalyzed and iodine mediated synthesis of thioaurones via in situ C–S bond generation using xanthate as a sulfur surrogate","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01211A","","","0.71073","MoKα","","0.0322","0.0278","","","0.0582","0.0614","","","","","","1.041","","","","has coordinates","277822","2022-09-14","00:30:27",""
"7158883","7.0327","0.0012","7.7486","0.0014","11.892","0.002","84.539","0.009","79.04","0.009","76.596","0.009","618","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O S -","- C16 H12 O S -","- C32 H24 O2 S2 -","2","1","","Soundarya, Palanisamy; Sekar, Govindasamy","Cu-Catalyzed and iodine mediated synthesis of thioaurones via in situ C–S bond generation using xanthate as a sulfur surrogate","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01211A","","","0.71073","MoKα","","0.1076","0.0792","","","0.2128","0.2405","","","","","","1.013","","","","has coordinates","277822","2022-09-14","00:30:27",""
"7158884","21.891","0.005","11.795","0.002","8.809","0.002","90","","93.038","0.008","90","","2271.3","0.8","200","2","200.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 F3 N2 O -","- C12 H9 F3 N2 O -","- C96 H72 F24 N16 O8 -","8","1","","Zhao, Haoqiang; Zeng, Qi; yang, ji; Xu, Bing; Lei, Haimin; Xu, Lijin; Walsh, Patrick","Rhodium(I)-Catalyzed Directed Trideuteromethylation of (Hetero)arene C–H Bonds with CD3CO2D","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01581A","","","0.71073","MoKα","","0.1206","0.0633","","","0.1892","0.2599","","","","","","0.881","","","","has coordinates,has disorder","277860","2022-09-15","00:14:56",""
"7158885","12.5969","0.0007","7.4254","0.0003","15.4359","0.0008","90","","113.168","0.007","90","","1327.39","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N4 -","- C15 H17 N4 -","- C60 H68 N16 -","4","1","","Zhao, Haoqiang; Zeng, Qi; yang, ji; Xu, Bing; Lei, Haimin; Xu, Lijin; Walsh, Patrick","Rhodium(I)-Catalyzed Directed Trideuteromethylation of (Hetero)arene C–H Bonds with CD3CO2D","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01581A","","","1.54184","CuKα","","0.0512","0.0435","","","0.1257","0.1321","","","","","","1.094","","","","has coordinates","277860","2022-09-15","00:14:57",""
"7158886","19.4107","0.0003","14.5657","0.0002","38.5152","0.0006","90","","98.1706","0.0015","90","","10778.9","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H46 N4 O5 S -","- C23 H46 N4 O5 S -","- C368 H736 N64 O80 S16 -","16","4","","Ellaby, Rebecca J.; White, Lisa J.; Boles, Jessica E.; Ozturk, Sena; Hiscock, Jennifer R.","Supramolecular self-associating amphiphiles as aqueous pollutant scavengers","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01365G","","x-ray","1.54184","CuKα","","0.1384","0.1","","","0.2395","0.2723","","","","","","1.022","","","","has coordinates,has disorder","277945","2022-09-17","21:41:31",""
"7158887","8.2","0.003","14.629","0.005","17.002","0.006","102.494","0.007","94.881","0.005","91.629","0.005","1981.7","1.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 Cl2 N4 O6 S2 -","- C41 H36 Cl2 N4 O6 S2 -","- C82 H72 Cl4 N8 O12 S4 -","2","1","","Meng, Xiangrui; Guo, Weisi; Nan, Guang-Ming; Li, Ming","Synthesis of pyrrole disulfides via umpolung of β-ketothioamides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01506D","","","0.71073","MoKα","","0.096","0.0772","","","0.1684","0.1797","","","","","","1.115","","","","has coordinates,has disorder","278020","2022-09-21","00:32:44",""
"7158888","12.7423","0.0004","15.4301","0.0006","25.1881","0.0008","90","","99.673","0.003","90","","4881.9","0.3","112.6","0.5","112.6","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51.44 H44.6 Cl3.84 N6 O4.72 P -","- C51.44 H44.6 Cl3.84 N6 O4.72 P -","- C205.76 H178.4 Cl15.36 N24 O18.88 P4 -","4","1","","He, Lijun; Jiang, Chenyang; Chen, Zhuoyue; Ma, Dejun; Yi, Long; Xi, Zhen","A triple-diazonium reagent for virus crosslinking and the synthesis of an azo-linked molecular cage","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01583H","","x-ray","0.71073","MoKα","","0.0863","0.0598","","","0.1258","0.1404","","","","","","1.032","","","","has coordinates,has disorder","278099","2022-09-23","00:44:46",""
"7158889","30.271","0.003","19.1087","0.0018","9.045","0.0009","90","","94.914","0.003","90","","5212.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 N4 O2 -","- C68 H48 N4 O2 -","- C272 H192 N16 O8 -","4","1","","Jiang, Yitian; Liu, Miaochang; Wang, Mengzhu; Lei, yunxiang; Ding, Qiuping; Wu, Huayue; Huang, Xiaobo","Unexpected synthesis, delayed emission and solid-state acidochromism of novel 2,7-naphthyridine derivatives obtained from 2-(3,5-diaryl-4H-pyran-4-ylidene)malononitrile","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01336C","","","0.71073","MoKα","","0.2503","0.0825","","","0.1572","0.2425","","","","","","1.002","","","","has coordinates","278100","2022-09-23","00:45:32",""
"7158890","18.9851","0.0013","9.842","0.0007","19.9967","0.0016","90","","107.793","0.002","90","","3557.7","0.5","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 N4 -","- C48 H40 N4 -","- C192 H160 N16 -","4","1","","Jiang, Yitian; Liu, Miaochang; Wang, Mengzhu; Lei, yunxiang; Ding, Qiuping; Wu, Huayue; Huang, Xiaobo","Unexpected synthesis, delayed emission and solid-state acidochromism of novel 2,7-naphthyridine derivatives obtained from 2-(3,5-diaryl-4H-pyran-4-ylidene)malononitrile","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01336C","","","0.71073","MoKα","","0.1008","0.0603","","","0.1344","0.1634","","","","","","1.053","","","","has coordinates","278100","2022-09-23","00:45:35",""
"7158891","13.9488","0.0004","11.7242","0.0003","17.1824","0.0004","90","","95.74","0.001","90","","2795.89","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N2 O2 -","- C36 H30 N2 O2 -","- C144 H120 N8 O8 -","4","1","","Jiang, Yitian; Liu, Miaochang; Wang, Mengzhu; Lei, yunxiang; Ding, Qiuping; Wu, Huayue; Huang, Xiaobo","Unexpected synthesis, delayed emission and solid-state acidochromism of novel 2,7-naphthyridine derivatives obtained from 2-(3,5-diaryl-4H-pyran-4-ylidene)malononitrile","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01336C","","","0.71073","MoKα","","0.0714","0.0492","","","0.1302","0.1503","","","","","","1.011","","","","has coordinates","278100","2022-09-23","00:45:36",""
"7158892","11.8903","0.0006","15.0921","0.0007","14.6135","0.0007","90","","113.651","0.001","90","","2402.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Organic","","","- C26 H22 I N O4 S -","- C26 H22 I N O4 S -","- C104 H88 I4 N4 O16 S4 -","4","1","","Sivanantham, Mathiyazhagan; Jennifer G, Abigail; Varathan, E.; Ramasamy, Mohankumar; Senadi, Gopal Chandru","Iodo-Sulphonylation of 1,6-Enynones: A Metal-Free Strategy to Synthesize N-Substituted Succinimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01277D","","","0.71073","MoKα","","0.051","0.034","","","0.0733","0.0827","","","","","","1.042","","","","has coordinates","278101","2022-09-23","00:46:08",""
"7158893","5.119","0.0005","11.5332","0.0011","11.6739","0.0011","100.61","0.003","92.588","0.003","94.229","0.003","674.37","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C32 H38 N6 O2 -","2","1","","Vartanova, Anna E.; Levina, Irina I.; Ratmanova, Nina K.; Andreev, Ivan A.; Ivanova, Olga A.; Trushkov, Igor V.","Ambident reactivity of 5-aminopyrazoles towards donor–acceptor cyclopropanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01490D","","","0.71073","MoKα","","0.084","0.0534","","","0.1386","0.1618","","","","","","1.034","","","","has coordinates","278145","2022-09-26","15:26:38",""
"7158894","23.691","0.004","6.0862","0.0009","18.277","0.003","90","","107.034","0.012","90","","2519.7","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","L4","","- C14 H15 N2 O2 -","- C14 H15 N2 O2 -","- C112 H120 N16 O16 -","8","1","","Caltagirone, Claudia; Picci, Giacomo; Quesada, Roberto; Carreira-Barral, Israel; Alonso-Carrillo, Daniel; Milia, Jessica; Busonera, Chiara","The role of indolyl substituents in squaramide-based anionophores","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01444K","","","1.54178","CuKα","","0.1206","0.0951","","","0.289","0.3177","","","","","","1.184","","","","has coordinates","278146","2022-09-26","15:26:50",""
"7158895","16.7881","0.0005","16.8007","0.0005","17.4748","0.0005","94.201","0.002","112.935","0.002","119.085","0.001","3749.5","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","L6.TBACl","","- C18 H23.5 Cl0.5 F3 N2 O -","- C18 H23.5 Cl0.5 F3 N2 O -","- C144 H188 Cl4 F24 N16 O8 -","8","4","","Caltagirone, Claudia; Picci, Giacomo; Quesada, Roberto; Carreira-Barral, Israel; Alonso-Carrillo, Daniel; Milia, Jessica; Busonera, Chiara","The role of indolyl substituents in squaramide-based anionophores","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01444K","","","1.54178","CuKα","","0.1248","0.0703","","","0.1845","0.2541","","","","","","1.066","","","","has coordinates,has disorder","278146","2022-09-26","15:26:54",""
"7158896","7.9942","0.0002","10.5274","0.0003","29.6819","0.0008","90","","90","","90","","2497.97","0.12","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","boneratamide A","","- C25 H40 N2 O4 -","- C25 H40 N2 O4 -","- C100 H160 N8 O16 -","4","1","","Ooka, Kaito; Nakanishi, Keisuke; Udagawa, Yutaro; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","Bioinspired total synthesis of boneratamides A–C","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00486K","","","1.54187","CuKα","","0.0479","0.0468","","","0.1294","0.1305","","","","","","1.051","","","","has coordinates","278152","2022-09-26","15:27:05",""
"7158897","17.0655","0.0008","10.6435","0.0005","16.6001","0.0008","90","","116.597","0.008","90","","2696.1","0.3","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H41 N2 O4 -","- C27 H41 N2 O4 -","- C108 H164 N8 O16 -","4","1","","Ooka, Kaito; Nakanishi, Keisuke; Udagawa, Yutaro; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","Bioinspired total synthesis of boneratamides A–C","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00486K","","","1.54187","CuKα","","0.0559","0.0543","","","0.1549","0.1571","","","","","","1.064","","","","has coordinates","278152","2022-09-26","15:27:05",""
"7158898","10.342","0.0006","20.8081","0.0013","10.0336","0.0006","90","","93.121","0.005","90","","2156","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cl N O3 S -","- C25 H18 Cl N O3 S -","- C100 H72 Cl4 N4 O12 S4 -","4","1","","Wang, Xinyue; Zeng, Heyang; Zhang, Wenli; Guo, Haiyang; Jin, Tao; Shi, Senlei; Jin, Xiaoyuan; Qu, Na; Liu, Li; Zhang, Lianpeng","Copper-Catalyzed Construction of (Z)-Benzo[cd]indoles: Stereoselective Intramolecular trans-Addition and SN-Ar Reaction","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01488B","","","0.71073","MoKα","","0.1018","0.0589","","","0.1307","0.1573","","","","","","1.0375","","","","has coordinates","278202","2022-09-27","00:39:40",""
"7158899","9.9425","0.0003","10.2918","0.0003","10.7151","0.0003","62.219","0.001","83.872","0.001","86.738","0.001","964.48","0.05","103","2","103","2","","","","","","","","6","P -1","-P 1","2","86","","","- C19 H22 I N O4 S -","- C19 H22 I N O4 S -","- C38 H44 I2 N2 O8 S2 -","2","1","","Gao, Li; Kraus, Yvonne; Stegner, Andrea Anna Therese; Wein, Thomas; Heise, Constanze; von Brunn, Leonie; Fajardo-Ruiz, Elena; Thorn-Seshold, Julia; Thorn-Seshold, Oliver","Self-reporting styrylthiazolium photopharmaceuticals: mitochondrial localisation as well as SAR drive biological activity","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00347C","","","0.71073","MoKα","","0.0253","0.0221","","","0.0548","0.0566","","","","","","1.073","","","","has coordinates","278203","2022-09-27","00:40:01",""
"7158900","7.2094","0.0004","7.5386","0.0003","19.1587","0.0008","90","","98.214","0.003","90","","1030.57","0.08","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N4 O9 -","- C19 H20 N4 O9 -","- C38 H40 N8 O18 -","2","1","","Sánchez Santos, Estela; Garrido-González, José J.; Fuentes de Arriba, Angel L.; Rodríguez-Sahagún, Ligzajaya; Habib, Asmaa; Sanz, Francisca; Martin del Valle, Eva; Rodriguez Moran, Joaquin; Alcazar, Victoria","Tryptophan association in water driven by charge-transfer interactions with electron-deficient aromatic haptens","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01650H","","","1.54178","CuKα","","0.0565","0.0528","","","0.1483","0.1521","","","","","","1.06","","","","has coordinates","278261","2022-09-29","00:45:49",""
"7158901","8.3904","0.0003","9.2903","0.0003","11.4586","0.0004","77.406","0.002","89.956","0.002","77.501","0.002","850.03","0.05","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H32 N6 O14 -","- C36 H32 N6 O14 -","- C36 H32 N6 O14 -","1","1","","Sánchez Santos, Estela; Garrido-González, José J.; Fuentes de Arriba, Angel L.; Rodríguez-Sahagún, Ligzajaya; Habib, Asmaa; Sanz, Francisca; Martin del Valle, Eva; Rodriguez Moran, Joaquin; Alcazar, Victoria","Tryptophan association in water driven by charge-transfer interactions with electron-deficient aromatic haptens","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01650H","","","1.54178","CuKα","","0.0382","0.0369","","","0.1091","0.1107","","","","","","1.106","","","","has coordinates","278261","2022-09-29","00:45:49",""
"7158902","6.9989","0.0002","9.8927","0.0003","28.24","0.0007","90","","97.006","0.001","90","","1940.68","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N5 O10 -","- C18 H15 N5 O10 -","- C72 H60 N20 O40 -","4","1","","Sánchez Santos, Estela; Garrido-González, José J.; Fuentes de Arriba, Angel L.; Rodríguez-Sahagún, Ligzajaya; Habib, Asmaa; Sanz, Francisca; Martin del Valle, Eva; Rodriguez Moran, Joaquin; Alcazar, Victoria","Tryptophan association in water driven by charge-transfer interactions with electron-deficient aromatic haptens","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01650H","","","1.54178","CuKα","","0.0411","0.0378","","","0.1001","0.1028","","","","","","1.042","","","","has coordinates","278261","2022-09-29","00:45:49",""
"7158903","7.0718","0.0002","27.8784","0.0008","12.1169","0.0004","90","","106.641","0.002","90","","2288.8","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N5 O14 S -","- C17 H21 N5 O14 S -","- C68 H84 N20 O56 S4 -","4","1","","Sánchez Santos, Estela; Garrido-González, José J.; Fuentes de Arriba, Angel L.; Rodríguez-Sahagún, Ligzajaya; Habib, Asmaa; Sanz, Francisca; Martin del Valle, Eva; Rodriguez Moran, Joaquin; Alcazar, Victoria","Tryptophan association in water driven by charge-transfer interactions with electron-deficient aromatic haptens","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01650H","","","1.54178","CuKα","","0.0577","0.0488","","","0.1292","0.1399","","","","","","1.059","","","","has coordinates","278261","2022-09-29","00:45:49",""
"7158904","6.7152","0.0003","8.4818","0.0003","12.1254","0.0005","72.066","0.002","79.913","0.002","73.87","0.002","628.16","0.05","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C28 H32 N4 O2 -","2","1","","Singh, Shashank; Singh, Ravi P.","Visible-light-induced alkylation of 2-iminochromene","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01584F","","","0.71073","MoKα","","0.0581","0.0467","","","0.1918","0.2172","","","","","","0.912","","","","has coordinates","278271","2022-09-30","00:33:39",""
"7158905","13.8434","0.0014","14.8766","0.0013","16.0001","0.0016","117.393","0.003","111.71","0.003","93.822","0.003","2603.7","0.5","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C35 H21 F5 -","- C35 H21 F5 -","- C140 H84 F20 -","4","2","","Sharma, Himanshu; Bhardwaj, Nikhil; Das, Soumyajit","Revisiting indeno[1,2-b]fluorene by steric promoted synthesis while isolating the second stable 4nπ indeno[2,1-a]fluorene","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01632J","","x-ray","0.71073","MoKα","","0.1234","0.0619","","","0.16","0.2111","","","","","","1.033","","","","has coordinates","278272","2022-09-30","00:34:09",""
"7158906","26.325","0.003","8.0202","0.001","24.777","0.003","90","","97.845","0.004","90","","5182.3","1.1","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H21 F5 -","- C35 H21 F5 -","- C280 H168 F40 -","8","1","","Sharma, Himanshu; Bhardwaj, Nikhil; Das, Soumyajit","Revisiting indeno[1,2-b]fluorene by steric promoted synthesis while isolating the second stable 4nπ indeno[2,1-a]fluorene","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01632J","","x-ray","0.71073","MoKα","","0.1696","0.0827","","","0.2053","0.2682","","","","","","1.023","","","","has coordinates","278272","2022-09-30","00:34:09",""
"7158907","14.9863","0.0004","10.2397","0.0002","29.0026","0.0007","90","","99.099","0.002","90","","4394.6","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 N3 O3 -","- C21 H39 N3 O3 -","- C168 H312 N24 O24 -","8","2","","Angelici, Gaetano; Bhattacharjee, Nicholus; Pypec, Maxime; Jouffret, Laurent; Didierjean, Claude; Jolibois, Franck; Perrin, Lionel; Roy, Olivier; Taillefumier, Claude","Unveiling the conformational landscape of achiral all-cis tert-butyl β-peptoids","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01351G","","","1.54184","CuKα","","0.0805","0.0685","","","0.1847","0.2035","","","","","","1.062","","","","has coordinates","278273","2022-09-30","00:34:52",""
"7158908","11.0907","0.0015","13.7298","0.0018","14.719","0.002","93.871","0.007","105.927","0.006","106.101","0.006","2045.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H71 N5 O6 -","- C37 H71 N5 O6 -","- C74 H142 N10 O12 -","2","1","","Angelici, Gaetano; Bhattacharjee, Nicholus; Pypec, Maxime; Jouffret, Laurent; Didierjean, Claude; Jolibois, Franck; Perrin, Lionel; Roy, Olivier; Taillefumier, Claude","Unveiling the conformational landscape of achiral all-cis tert-butyl β-peptoids","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01351G","","","0.71073","MoKα","","0.0796","0.0506","","","0.1275","0.1461","","","","","","1.038","","","","has coordinates","278273","2022-09-30","00:34:53",""
"7158909","12.3196","0.0004","18.8338","0.0006","21.4438","0.0008","67.3","0.003","79.441","0.003","89.706","0.002","4500.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H52 N4 O4 -","- C28 H52 N4 O4 -","- C168 H312 N24 O24 -","6","3","","Angelici, Gaetano; Bhattacharjee, Nicholus; Pypec, Maxime; Jouffret, Laurent; Didierjean, Claude; Jolibois, Franck; Perrin, Lionel; Roy, Olivier; Taillefumier, Claude","Unveiling the conformational landscape of achiral all-cis tert-butyl β-peptoids","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01351G","","","1.54184","CuKα","","0.1217","0.0814","","","0.2177","0.2569","","","","","","1.05","","","","has coordinates","278273","2022-09-30","00:34:53",""
"7158910","10.8581","0.0016","14.632","0.002","27.589","0.004","90","","90","","90","","4383.2","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","MBC_240","","- C23.5 H21.5 Cl1.5 F N2 O3 -","- C23.5 H21.5 Cl1.5 F N2 O3 -","- C188 H172 Cl12 F8 N16 O24 -","8","2","","Chaudhari, Moreshwar B.; Gupta, Prachi; Llanes, Patricia; Zhou, Leijie; Zanda, Nicola; Pericas, Miquel A.","A sustainable, enantio- and diastereoselective approach to indoloquinolizidines in continuous flow","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01462A","","","0.71075","MoKα","","0.1856","0.0762","","","0.1689","0.2042","","","","","","1.028","","","","has coordinates,has disorder","278347","2022-10-05","00:42:22",""
"7158911","8.8005","0.0012","11.8789","0.0016","12.2138","0.0017","90.098","0.011","97.747","0.011","110.017","0.013","1187.2","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl F2 N O -","- C12 H12 Cl F2 N O -","- C48 H48 Cl4 F8 N4 O4 -","4","2","","Chen, Zunsheng; Xie, Xin; Chen, Weiming; Luo, Nianhua; Li, Xiaoning; Yu, Fuchao; Huang, Jiuzhong","Facial Access to 2,2-Difluoro-2,3-dihydrofuran Skeleton without Extra Additive: DMF-Promoted Difluorocarbene Formation of ClCF2CO2Na","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01542K","","x-ray","0.71073","MoKα","","0.1003","0.0787","","","0.22","0.2424","","","","","","1.048","","","","has coordinates","278348","2022-10-05","00:42:43",""
"7158912","7.4769","0.0015","8.5894","0.0017","16.333","0.003","90","","91.27","0.03","90","","1048.7","0.4","113","2","113","2","","","","","","","methanol/chloroform","3","P 1 21/n 1","-P 2yn","14","cyclomer-1","1-dimer","","- C28 H16 O8 -","- C28 H16 O8 -","- C56 H32 O16 -","2","0.5","","Liu, Qiuhua; Shen, Xiaorong; Dai, Ye; Zhang, Mengchen; Zhou, Zaichun","Porous Materials Formed by Four Self-construction Processes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01530G","","","0.71073","MoKα","","0.0644","0.0539","","","0.1424","0.146","","","","","","1.133","","","","has coordinates","278349","2022-10-05","00:43:27",""
"7158913","18.435","0.004","7.4378","0.0015","19.155","0.004","90","","92.16","0.03","90","","2624.6","1","113","2","113","2","","","","","","","methanol/chloroform","3","P 1 2/n 1","-P 2yac","13","cyclomer-1","1-tetramer","","- C56 H32 O16 -","- C56 H32 O16 -","- C112 H64 O32 -","2","0.5","","Liu, Qiuhua; Shen, Xiaorong; Dai, Ye; Zhang, Mengchen; Zhou, Zaichun","Porous Materials Formed by Four Self-construction Processes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01530G","","","0.71073","MoKα","","0.1147","0.1063","","","0.352","0.3678","","","","","","1.16","","","","has coordinates","278349","2022-10-05","00:43:28",""
"7158914","10.888","0.001","13.881","0.0012","25.599","0.002","91.993","0.008","97.768","0.008","104.694","0.004","3698.4","0.6","113","2","113","2","","","","","","","methanol/chloroform","4","P -1","-P 1","2","cyclomer-1","1-trimer","","- C42.5 H24.5 Cl1.5 O12 -","- C42.5 H24.5 Cl1.5 O12 -","- C170 H98 Cl6 O48 -","4","2","","Liu, Qiuhua; Shen, Xiaorong; Dai, Ye; Zhang, Mengchen; Zhou, Zaichun","Porous Materials Formed by Four Self-construction Processes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01530G","","","0.71075","MoKα","","0.0829","0.0575","","","0.1227","0.136","","","","","","1.062","","","","has coordinates","278349","2022-10-05","00:43:28",""
"7158915","9.672","0.002","11.175","0.003","15.326","0.003","93.479","0.004","93.467","0.004","92.039","0.004","1649.1","0.6","100","2","100.15","","","","","","","","THF/chloroform","3","P 1","P 1","1","cyclomer-1","1-pentamer","","- C78 H56 O22 -","- C78 H56 O22 -","- C78 H56 O22 -","1","1","","Liu, Qiuhua; Shen, Xiaorong; Dai, Ye; Zhang, Mengchen; Zhou, Zaichun","Porous Materials Formed by Four Self-construction Processes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01530G","","","0.71073","MoKα","","0.0812","0.0493","","","0.0976","0.112","","","","","","1.044","","","","has coordinates,has disorder","278349","2022-10-05","00:43:28",""
"7158916","13.486","0.003","14.311","0.003","24.277","0.006","90","","99.61","0.013","90","","4619.7","1.8","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Br Cl N2 O3 -","- C25 H20 Br Cl N2 O3 -","- C200 H160 Br8 Cl8 N16 O24 -","8","1","","Maji, Biswajit; Shukla, Pushpendra Mani; Pratap, Aniruddh","N-Heterocyclic Carbene-catalysed Homoenolate Addition Reaction to 3-Cyano-2-imino-2H-chromenes: Synthesis of C4-Functionalized 2-Amino-3-cyano-4H-chromene","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01447E","","","0.71073","MoKα","","0.0976","0.0589","","","0.1286","0.1455","","","","","","1.037","","","","has coordinates","278392","2022-10-07","00:37:16",""
"7158917","13.785","0.0006","14.0217","0.0007","29.4717","0.0013","90","","90","","90","","5696.6","0.5","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H28 N2 O4 S -","- C34 H28 N2 O4 S -","- C272 H224 N16 O32 S8 -","8","1","","Dehghanpour Kalan, Reza; Amiri, Kamran; Rominger, Frank -; Balalaie, Saeed; Bijanzadeh, Hamid Reza","Regio- and diastereoselective transition metal-free hydroalkylation of N-allenyl sulfonamides by push-pull 2-alkynylquinolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01362B","","","0.71073","MoKα","","0.1147","0.0535","","","0.1046","0.1296","","","","","","1.014","","","","has coordinates","278497","2022-10-08","00:38:24",""
"7158918","8.7937","0.0007","10.0005","0.0008","11.2448","0.0009","92.85","0.001","111.87","0.001","95.702","0.001","909.14","0.13","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3'-chloro-6'-methyl-2,2'-spirobi[chromene]-3-carboxylate","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C42 H34 Cl2 O8 -","2","1","","Mudulkar, Sairam; Kolla, Sai Teja; Balasubramanian, Sridhar; Bhimapaka, China Raju","BF3•OEt2-Catalyzed synthesis of 2,2'-spirobi-2H-1-benzopyrans from 2H-chromenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01286C","","","0.71073","MoKα","","0.0518","0.0443","","","0.1275","0.1351","","","","","","1.041","","","","has coordinates","278504","2022-10-09","00:29:24",""
"7158919","10.1834","0.0002","12.1739","0.0002","15.8758","0.0002","92.9","0.001","107.451","0.001","105.81","0.002","1787.67","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Br N2 O5 S2 -","- C39 H37 Br N2 O5 S2 -","- C78 H74 Br2 N4 O10 S4 -","2","1","","Sha, Hong-Kai; Qian, Yu; Yang, Xiangji; Dong, Kuiyong; Xu, Xinfang; Hu, Wenhao","A copper-catalyzed three-component reaction of dithioacetals with diazo ketones and ketimines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01679F","","x-ray","1.54184","CuKα","","0.0361","0.0314","","","0.0742","0.0761","","","","","","1.074","","","","has coordinates","278519","2022-10-11","00:40:16",""
"7158920","10.7902","0.0002","15.7345","0.0004","21.217","0.0006","90","","90","","90","","3602.19","0.15","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H35 Cl N2 O5 S2 -","- C39 H35 Cl N2 O5 S2 -","- C156 H140 Cl4 N8 O20 S8 -","4","1","","Sha, Hong-Kai; Qian, Yu; Yang, Xiangji; Dong, Kuiyong; Xu, Xinfang; Hu, Wenhao","A copper-catalyzed three-component reaction of dithioacetals with diazo ketones and ketimines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01679F","","x-ray","1.54184","CuKα","","0.0824","0.0616","","","0.1462","0.1606","","","","","","1.064","","","","has coordinates","278519","2022-10-11","00:40:16",""
"7158921","10.2253","0.0002","11.0686","0.0002","22.4374","0.0005","103.079","0.002","97.132","0.002","100.779","0.002","2392.88","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 O3 S2 -","- C27 H22 O3 S2 -","- C108 H88 O12 S8 -","4","2","","Sha, Hong-Kai; Qian, Yu; Yang, Xiangji; Dong, Kuiyong; Xu, Xinfang; Hu, Wenhao","A copper-catalyzed three-component reaction of dithioacetals with diazo ketones and ketimines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01679F","","x-ray","1.54184","CuKα","","0.0629","0.0566","","","0.1547","0.1597","","","","","","1.084","","","","has coordinates","278519","2022-10-11","00:40:16",""
"7158922","15.399","0.003","20.418","0.004","37.681","0.007","73.211","0.005","84.095","0.005","68.074","0.005","10522","4","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H44 N4 O10 -","- C48 H44 N4 O10 -","- C384 H352 N32 O80 -","8","4","","Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.","Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01511K","","x-ray","0.71073","MoKα","","0.1694","0.1225","","","0.3404","0.3706","","","","","","1.284","","","","has coordinates,has disorder","278559","2022-10-13","00:50:34",""
"7158923","7.4851","0.0002","11.8514","0.0003","25.8916","0.0009","90","","90","","90","","2296.82","0.12","296.15","","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","model","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C112 H96 N8 O20 -","4","0.5","","Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.","Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01511K","","x-ray","1.54178","CuKα","","0.0753","0.0669","","","0.1595","0.1634","","","","","","1.224","","","","has coordinates","278559","2022-10-13","00:50:34",""
"7158924","47.0846","0.0012","47.0846","0.0012","10.6294","0.0005","90","","90","","120","","20407.8","1.2","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","macrocycle","","- C48 H44 N4 O10 -","- C48 H44 N4 O10 -","- C864 H792 N72 O180 -","18","1","","Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.","Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01511K","","x-ray","0.71073","MoKα","","0.0853","0.0589","","","0.1409","0.1556","","","","","","1.032","","","","has coordinates","278559","2022-10-13","00:50:35",""
"7158925","11.2993","0.0015","14.0697","0.0018","7.376","0.001","90","","101.923","0.004","90","","1147.3","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","diformyl diphenol ether","","- C14 H10 O5 -","- C14 H10 O5 -","- C56 H40 O20 -","4","1","","Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.","Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01511K","","x-ray","0.71073","MoKα","","0.0502","0.0387","","","0.1012","0.1092","","","","","","1.046","","","","has coordinates","278559","2022-10-13","00:50:35",""
"7158926","17.0998","0.0007","18.8164","0.0007","29.2275","0.0011","90","","90","","90","","9404.1","0.6","90","","90","","","","","","","","","4","P b c n","-P 2n 2ab","60","","macrocycle","","- C52 H50 N6 O10 -","- C52 H50 N6 O10 -","- C416 H400 N48 O80 -","8","1","","Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.","Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01511K","","","1.54178","CuKα","","0.0752","0.0532","","","0.1332","0.1533","","","","","","1.063","","","","has coordinates,has disorder","278559","2022-10-13","00:50:35",""
"7158927","5.8239","0.0014","15.77","0.004","9.954","0.003","90","","98.11","0.006","90","","905.1","0.4","296","2","296.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H16 N2 O S -","- C22 H16 N2 O S -","- C44 H32 N4 O2 S2 -","2","1","","Dong, Zhi-Bing; Xu, Xiao-Hu","Iodine promoted cyclization of N,N'-diphenylthiocarbamides with enaminones：a protocol for the synthesis of poly-substituted 2-iminothiazolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01477G","","","0.71073","MoKα","","0.0775","0.0436","","","0.075","0.0886","","","","","","1.076","","","","has coordinates","278576","2022-10-14","00:35:37",""
"7158928","7.8108","0.0002","6.5963","0.0002","13.6805","0.0004","90","","96.914","0.002","90","","699.73","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Bannykh, Anton; Levashova, Ekaterina; Bakulina, Olga; Krasavin, Mikhail","New Reagent Space and New Scope for the Castagnoli-Cushman Reaction of Oximes and 3-Arylglutaconic anhydrides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01675C","","x-ray","1.54184","CuKα","","0.0328","0.0322","","","0.0834","0.084","","","","","","1.064","","","","has coordinates","278601","2022-10-15","00:43:29",""
"7158929","9.9484","0.0003","9.9484","0.0003","11.8653","0.0004","90","","90","","120","","1016.99","0.06","100.15","","100.15","","","","","","","","","5","P 31","P 31","144","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C48 H54 F3 N3 O6 -","3","1","","Bannykh, Anton; Levashova, Ekaterina; Bakulina, Olga; Krasavin, Mikhail","New Reagent Space and New Scope for the Castagnoli-Cushman Reaction of Oximes and 3-Arylglutaconic anhydrides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01675C","","","1.54184","CuKα","","0.0344","0.0324","","","0.0817","0.0827","","","","","","1.084","","","","has coordinates","278601","2022-10-15","00:43:30",""
"7158930","17.155","0.005","4.3367","0.0014","21.762","0.007","90","","110.294","0.014","90","","1518.5","0.8","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Br N O3 -","- C18 H14 Br N O3 -","- C72 H56 Br4 N4 O12 -","4","1","","Wang, Yingxiao; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Rh(II)-Catalyzed Synthesis of 5H-Isochromeno[3,4-b]indolizines from 4-Diazoisochroman-3-imines and Pyridines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01400A","","","0.71073","MoKα","","0.0233","0.0204","","","0.053","0.0545","","","","","","1.056","","","","has coordinates","278602","2022-10-15","00:44:01",""
"7158931","10.7668","0.0003","18.0397","0.0005","15.5823","0.0005","90","","93.899","0.001","90","","3019.54","0.15","100","2","100","2","","","","","","","no","3","P 1 21/n 1","-P 2yn","14","C12NNp","C12Np","","- C34 H54 N2 -","- C34 H54 N2 -","- C136 H216 N8 -","4","1","","Kurimoto, Taichi; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Synthesis and Rotational Dynamics of Diazamacrocycles Having Bridged 1,4-Naphthylene as Framed Molecular Rotors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01613C","","","1.54178","CuKα","","0.0413","0.0404","","","0.1057","0.1062","","","","","","1.03","","","","has coordinates","278603","2022-10-15","00:44:40",""
"7158932","11.7462","0.0014","9.5109","0.0012","30.593","0.004","90","","90.057","0.006","90","","3417.8","0.7","123","2","123","2","","","","","","","no","3","P 1 21/c 1","-P 2ybc","14","C14NNp","C14Np","","- C38 H62 N2 -","- C38 H62 N2 -","- C152 H248 N8 -","4","1","","Kurimoto, Taichi; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Synthesis and Rotational Dynamics of Diazamacrocycles Having Bridged 1,4-Naphthylene as Framed Molecular Rotors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01613C","","","1.54178","CuKα","","0.1059","0.0994","","","0.272","0.275","","","","","","1.144","","","","has coordinates,has disorder","278603","2022-10-15","00:44:40",""
"7158933","7.7049","0.0007","8.0698","0.0006","9.0862","0.0008","74.601","0.003","77.073","0.003","82.099","0.003","529.03","0.08","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","P-1","","- C8 H6 F3 N O4 S -","- C8 H6 F3 N O4 S -","- C16 H12 F6 N2 O8 S2 -","2","1","","Yao, Yunfei; Lin, Bo; Wu, Minze; Zhang, Yafang; Huang, Yangjie; Han, Xiaoyan; Weng, Zhiqiang","Synthesis of 2-trifluoromethyl thiazoles via [3 + 2] cycloaddition of pyridinium 1,4-zwitterionic thiolates with CF3CN","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01749K","","","0.71073","MoKα","","0.0272","0.0263","","","0.0652","0.0658","","","","","","1.043","","","","has coordinates","278606","2022-10-16","00:30:56",""
"7158934","4.8566","0.0002","35.3036","0.0013","10.3267","0.0004","90","","96.951","0.004","90","","1757.56","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F3 N O3 S -","- C18 H12 F3 N O3 S -","- C72 H48 F12 N4 O12 S4 -","4","1","","Yao, Yunfei; Lin, Bo; Wu, Minze; Zhang, Yafang; Huang, Yangjie; Han, Xiaoyan; Weng, Zhiqiang","Synthesis of 2-trifluoromethyl thiazoles via [3 + 2] cycloaddition of pyridinium 1,4-zwitterionic thiolates with CF3CN","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01749K","","x-ray","1.54184","CuKα","","0.0894","0.063","","","0.2008","0.2214","","","","","","1.098","","","","has coordinates","278606","2022-10-16","00:30:56",""
"7158935","5.8041","0.0001","27.2425","0.0004","9.8185","0.0002","90","","106.473","0.002","90","","1488.76","0.05","100","0.3","100","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'ethyl 2-(4-(((tert-butoxycarbonyl)amino)methyl) -5-fluoro-1H-1,2,3-triazol-1-yl)acetate '","","- C12 H19 F N4 O4 -","- C12 H19 F N4 O4 -","- C48 H76 F4 N16 O16 -","4","1","","Crousse, Benoit; Ghermani, Nour Eddine; Ongeri, Sandrine; Gillet, Jean-Michel; Retailleau, Pascal; laxio-arenas, Jose","5-Fluoro-1,2,3-triazole motif in peptides and its electronic properties","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01716D","","x-ray","0.71073","MoKα","","0.0347","0.0347","","","0.0562","0.0565","","","","","","3.237","","","","has coordinates","278624","2022-10-18","00:52:48",""
"7158936","13.729","0.006","5.448","0.002","23.303","0.01","90","","104.322","0.007","90","","1688.8","1.2","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Biswas, Subrata; Duari, Surajit; Maity, Srabani; Roy, Arnab; Elsharif, Asma M.; Biswas, Srijit","(3 + 2) cycloaddition of 2-alkoxynaphthalenes with azaoxyallyl cations: access to benzo[e]indolones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01441F","","","0.71073","MoKα","","0.0657","0.0435","","","0.1025","0.1191","","","","","","1.013","","","","has coordinates","278636","2022-10-19","00:42:37",""
"7158937","6.3096","0.0002","12.9213","0.0004","26.6212","0.0008","90","","90","","90","","2170.38","0.12","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O3 Si -","- C23 H33 N O3 Si -","- C92 H132 N4 O12 Si4 -","4","1","","Mukhopadhyay, Soumendranath; Boobalan, Ramalingam; Chein, Rong-Jie","Oxathiaborolium-catalyzed enantioselective [2 + 2] cycloadditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01779B","","","1.54178","CuKα","","0.0357","0.032","","","0.0824","0.084","","","","","","1.066","","","","has coordinates","278637","2022-10-19","00:43:21",""
"7158938","11.5874","0.0003","6.3337","0.0002","15.8579","0.0004","90","","92.194","0.001","90","","1162.98","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H35 N O3 Si -","- C24 H35 N O3 Si -","- C48 H70 N2 O6 Si2 -","2","1","","Mukhopadhyay, Soumendranath; Boobalan, Ramalingam; Chein, Rong-Jie","Oxathiaborolium-catalyzed enantioselective [2 + 2] cycloadditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01779B","","","0.71073","MoKα","","0.0308","0.0274","","","0.0657","0.0686","","","","","","1.044","","","","has coordinates","278637","2022-10-19","00:43:21",""
"7158939","6.4355","0.0001","11.0753","0.0002","32.5101","0.0004","90","","90","","90","","2317.16","0.06","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 N O3 Si -","- C24 H35 N O3 Si -","- C96 H140 N4 O12 Si4 -","4","1","","Mukhopadhyay, Soumendranath; Boobalan, Ramalingam; Chein, Rong-Jie","Oxathiaborolium-catalyzed enantioselective [2 + 2] cycloadditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01779B","","","1.54178","CuKα","","0.0262","0.0241","","","0.0615","0.0626","","","","","","1.039","","","","has coordinates","278637","2022-10-19","00:43:21",""
"7158940","9.8981","0.0003","9.9008","0.0003","10.6735","0.0003","100.946","0.003","96.419","0.002","118.36","0.003","878.66","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 O7 S2 -","- C17 H18 O7 S2 -","- C34 H36 O14 S4 -","2","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.0424","0.0346","","","0.0868","0.0904","","","","","","1.045","","","","has coordinates","278643","2022-10-20","00:39:52",""
"7158941","8.5479","0.0003","20.0152","0.0006","18.621","0.0006","90","","92.164","0.003","90","","3183.56","0.18","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Cl2 O7 S3 -","- C33 H28 Cl2 O7 S3 -","- C132 H112 Cl8 O28 S12 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.1271","0.0993","","","0.2066","0.217","","","","","","1.176","","","","has coordinates","278643","2022-10-20","00:39:53",""
"7158942","14.0549","0.0002","7.1214","0.0001","14.812","0.0002","90","","91.918","0.001","90","","1481.71","0.04","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O4 S -","- C19 H12 O4 S -","- C76 H48 O16 S4 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.0339","0.0312","","","0.0804","0.082","","","","","","1.078","","","","has coordinates","278643","2022-10-20","00:39:53",""
"7158943","15.6949","0.0006","12.8939","0.0004","17.0029","0.0007","90","","111.187","0.004","90","","3208.3","0.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 O9 S3 -","- C35 H32 O9 S3 -","- C140 H128 O36 S12 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.1159","0.0852","","","0.2219","0.2396","","","","","","1.023","","","","has coordinates","278643","2022-10-20","00:39:53",""
"7158944","15.586","0.0003","12.8979","0.0002","16.9919","0.0003","90","","112.673","0.002","90","","3151.85","0.11","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 O9 S3 -","- C35 H32 O9 S3 -","- C140 H128 O36 S12 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.0972","0.0897","","","0.2108","0.2145","","","","","","1.154","","","","has coordinates","278643","2022-10-20","00:39:53",""
"7158945","15.3737","0.001","12.3601","0.0004","16.9313","0.0011","90","","114.66","0.008","90","","2923.9","0.3","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O9 S3 -","- C33 H28 O9 S3 -","- C132 H112 O36 S12 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.0743","0.0518","","","0.1184","0.1252","","","","","","1.058","","","","has coordinates","278643","2022-10-20","00:39:53",""
"7158946","8.3583","0.0003","10.9812","0.0003","17.0446","0.0005","93.598","0.002","95.572","0.002","90.367","0.003","1553.84","0.08","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 O8 S3 -","- C35 H32 O8 S3 -","- C70 H64 O16 S6 -","2","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.0569","0.0474","","","0.1076","0.1113","","","","","","1.068","","","","has coordinates","278643","2022-10-20","00:39:53",""
"7158947","10.21076","0.00011","11.6131","0.00012","11.52057","0.00012","90","","101.561","0.001","90","","1338.38","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O5 S -","- C29 H32 N2 O5 S -","- C58 H64 N4 O10 S2 -","2","1","","Kumar, Dharmendra; Chaudhary, Dhananjay; Km, Ishu; Yadav, Suman; Maurya, Naveen Kumar; Kant, Ruchir; Kuram, Malleswara Rao","Copper-catalyzed cascade reaction of tryptamines with diazo compounds to access hexahydropyrroloindoline derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01635D","","","1.54184","CuKα","","0.0613","0.0549","","","0.1261","0.1292","","","","","","1.093","","","","has coordinates","278644","2022-10-20","00:40:49",""
"7158948","9.7261","0.0009","26.408","0.003","8.5437","0.0007","90","","91.509","0.003","90","","2193.7","0.4","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C92 H92 N4 O20 S4 -","4","1","","Maniarasu, Meenakshi; Kannupal, Srinivasan","SnCl4-Mediated One-Pot Synthesis of 2,4,5-Trisubstituted Thiazoles from Nitro-Substituted Donor-Acceptor Cyclopropanes and Thioamides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01604D","","","0.71073","MoKα","","0.1295","0.0924","","","0.1849","0.2053","","","","","","1.152","","","","has coordinates","278720","2022-10-22","00:16:09",""
"7158949","24.354","0.003","8.7486","0.0014","16.091","0.002","90","","90","","90","","3428.4","0.8","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C176 H128 N16 O16 -","8","2","","Prince, Prince; Kumar, Sandeep; Lalji, Ram Sunil Kumar; Gupta, Mohit; Kumar, Prashant; Kumar, Ravindra; Singh, Brajendra Kumar","Sustainable C-H Activation Approach for Palladium-Catalyzed, Regioselective, Functionalization of 1-Methyl-3-phenyl quinoxaline-2(1H)-ones in Water","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01451C","","","0.71073","MoKα","","0.211","0.078","","","0.1474","0.199","","","","","","0.882","","","","has coordinates","278724","2022-10-23","00:34:20",""
"7158950","9.1723","0.0004","10.9238","0.0005","12.8796","0.0006","65.036","0.001","78.334","0.001","71.536","0.001","1106.17","0.09","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N4 O -","- C28 H22 N4 O -","- C56 H44 N8 O2 -","2","1","","Bhattacharjee, Suvam; Laru, Sudip; Hajra, Alakananda","Hypervalent Iodine(III)-Mediated Oxidative Dearomatization of 2H-Indazoles towards Indazolyl Indazolones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01776H","","","0.71073","MoKα","","0.0461","0.0391","","","0.0946","0.1022","","","","","","1.066","","","","has coordinates","278764","2022-10-25","01:11:00",""
"7158951","9.3059","0.0008","11.2684","0.001","11.5922","0.001","71.398","0.003","86.047","0.003","86.349","0.003","1148.22","0.17","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 N O4 S -","- C28 H21 N O4 S -","- C56 H42 N2 O8 S2 -","2","1","","Kar, Abhishek; Rana, Gopal; Chanda, Rupsa; Jana, Umasish","Iron(iii)-catalyzed synthesis of indole–xanthydrol hybrid through oxidative cycloisomerization/hydroxylation reaction","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01727J","","","0.71073","MoKα","","0.1193","0.0791","","","0.1402","0.1549","","","","","","1.171","","","","has coordinates","278765","2022-10-25","01:11:28",""
"7158952","10.8279","0.0005","6.5765","0.0003","25.3023","0.0011","90","","101.421","0.001","90","","1766.09","0.14","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,6,7-trimethoxy-2-phenylspiro [indene-1,2'- [1,3] dithiolane","","- C20 H20 O3 S2 -","- C20 H20 O3 S2 -","- C80 H80 O12 S8 -","4","1","","Arora, Shivani; Singh, Surya Pratap; Sharma, Parashuram; Singh, Anand","Brønsted Acid Catalyzed Annulations of Ketene Dithioacetals: Synthesis of 3-Aryl Coumarins and Indenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01558G","","","0.71073","MoKα","","0.0436","0.0369","","","0.0786","0.0822","","","","","","1.131","","","","has coordinates","278790","2022-10-26","00:54:24",""
"7158953","42.8149","0.0015","5.8284","0.0002","30.8813","0.0009","90","","118.624","0.002","90","","6764.4","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C368 H288 N32 -","16","2","","Itakhunov, Radik N.; Odin, Ivan S.; Gusev, Dmitry M.; Grabovskiy, Stanislav A.; Gordon, Kareem V.; Vologzhanina, Anna V.; Sokov, Sergey A.; Sosnin, Ilya M.; Golovanov, Alexander A.","Cyclization of arylhydrazones of cross-conjugated enynones: synthesis of luminescent styryl-1H-pyrazoles and propenyl-1H-pyrazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01427K","","","0.71073","MoKα","","0.1777","0.0882","","","0.1546","0.1877","","","","","","1.013","","","","has coordinates","278830","2022-10-27","01:05:57",""
"7158954","10.1813","0.0004","17.3871","0.0007","8.5577","0.0004","90","","103.498","0.002","90","","1473.07","0.11","140","2","140","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O6 S2 -","- C34 H30 N2 O6 S2 -","- C68 H60 N4 O12 S4 -","2","0.5","","Sadhu, Milon Mohan; Khajuria, Chhavi; Singh, Vinod K.","A Brønsted acid-catalyzed thioacid addition to in situ generated aldimine for the synthesis of isoindolinones with N,S-acetal framework","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01532C","","","0.71073","MoKα","","0.0375","0.0338","","","0.0838","0.0864","","","","","","1.034","","","","has coordinates","278846","2022-10-28","00:46:29",""
"7158955","12.1241","0.0006","12.2852","0.0005","14.9183","0.0007","90","","98.87","0.002","90","","2195.46","0.17","160","","160","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O4 -","- C28 H21 N O4 -","- C112 H84 N4 O16 -","4","1","","Zhang, You-Ya; Li, Lin; Ma, Ai-Jun; Wang, Wei-Feng; Peng, Jin-Bao","Base-promoted [4+2] Annulation of Pyrrole-2-carbaldehyde Derivatives with β,γ-Unsaturated α-Ketoesters : Syntheses of 5,6-Dihydroindolizines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01903E","","","0.71073","MoKα","","0.1225","0.0572","","","0.1096","0.1397","","","","","","1.069","","","","has coordinates","278847","2022-10-28","00:47:10",""
"7158956","8.5012","0.0005","17.032","0.0007","18.9074","0.001","90","","90","","90","","2737.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N3 O5 -","- C28 H31 N3 O5 -","- C112 H124 N12 O20 -","4","1","","Li, Min; Chen, Yihua; Yan, Yinkun; Liu, Min; Huang, Min; Li, Wenzhe; Cao, Lianyi; Zhang, Xiao-Mei","Organocatalytic asymmetric synthesis of quaternary α-isoxazole-α-alkynylamino acid derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01746F","","x-ray","1.54184","CuKα","","0.0658","0.0486","","","0.1219","0.1393","","","","","","1.015","","","","has coordinates,has disorder","278870","2022-10-29","10:56:12",""
"7158957","18.33","0.002","10.0441","0.0006","16.8467","0.0017","90","","116.711","0.013","90","","2770.6","0.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 I N3 O5 -","- C28 H30 I N3 O5 -","- C112 H120 I4 N12 O20 -","4","1","","Li, Min; Chen, Yihua; Yan, Yinkun; Liu, Min; Huang, Min; Li, Wenzhe; Cao, Lianyi; Zhang, Xiao-Mei","Organocatalytic asymmetric synthesis of quaternary α-isoxazole-α-alkynylamino acid derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01746F","","x-ray","0.71073","MoKα","","0.0686","0.0463","","","0.1124","0.1283","","","","","","1.036","","","","has coordinates","278870","2022-10-29","10:56:12",""
"7158958","7.8681","0.0004","11.4609","0.0005","18.4466","0.0009","90","","90","","90","","1663.43","0.14","303","2","303.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.34139","GaKα","","0.0351","0.0342","","","0.0915","0.0924","","","","","","1.033","","","","has coordinates","278871","2022-10-29","10:57:28",""
"7158959","6.573","0.0002","14.9361","0.0004","8.6462","0.0002","90","","91.596","0.001","90","","848.51","0.04","170","2","169.97","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C40 H48 O14 -","2","1","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.34139","GaKα","","0.032","0.0295","","","0.0724","0.0744","","","","","","1.052","","","","has coordinates","278871","2022-10-29","10:57:29",""
"7158960","8.4147","0.0002","10.9726","0.0002","21.059","0.0004","90","","90","","90","","1944.4","0.07","170","2","169.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O9 -","- C20 H30 O9 -","- C80 H120 O36 -","4","1","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.34139","GaKα","","0.0322","0.0308","","","0.0781","0.0796","","","","","","1.064","","","","has coordinates","278871","2022-10-29","10:57:29",""
"7158961","11.691","0.004","9.567","0.004","12.612","0.005","90","","104.951","0.01","90","","1362.9","0.9","296.15","","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C23 H38 B F3 O3 Si -","- C23 H38 B F3 O3 Si -","- C46 H76 B2 F6 O6 Si2 -","2","0.5","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","0.71073","MoKα","","0.1495","0.0803","","","0.2282","0.2785","","","","","","1.029","","","","has coordinates,has disorder","278871","2022-10-29","10:57:29",""
"7158962","6.7694","0.0002","14.5049","0.0004","16.9906","0.0005","90","","90","","90","","1668.3","0.08","170","2","170.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","1","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.34139","GaKα","","0.0266","0.0258","","","0.0661","0.0665","","","","","","1.044","","","","has coordinates","278871","2022-10-29","10:57:29",""
"7158963","8.9073","0.0002","10.3176","0.0002","19.2439","0.0004","90","","98.151","0.001","90","","1750.69","0.06","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","2","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.54178","CuKα","","0.0376","0.037","","","0.1007","0.1015","","","","","","1.084","","","","has coordinates","278871","2022-10-29","10:57:29",""
"7158964","3.9218","0.0003","15.5165","0.0011","14.5798","0.0011","90","","95.477","0.007","90","","883.17","0.11","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N3 -","- C11 H7 N3 -","- C44 H28 N12 -","4","1","","Natarajan, Nithya; Jayabal, Ezhilan; Rengarajan, Venkatesan; Gnanasambandam, Vasuki","Multicomponent synthesis of pyrrolo[2,1-a]isoindolylidene-malononitrile (PIYM) fluorophores and their photophysical properties","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01209J","","","0.71073","MoKα","","0.0845","0.0744","","","0.2012","0.2065","","","","","","1.257","","","","has coordinates","278872","2022-10-29","10:58:10",""
"7158965","9.4115","0.0007","17.492","0.0018","13.8909","0.001","90","","94.077","0.007","90","","2281","0.3","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C104 H96 N8 O16 S4 -","4","1","","Zhao, Cheng; Gu, Man-Zhen; Chen, Yi-Yuan; Hu, Xiao-Wei; Xu, Yi-Bing; Lin, Xiao-Min; Liu, Xin-Ni; Chen, Long; Chen, Guo-Shu; Liu, Yun-Lin","Catalytic divergent synthesis of imidazoles <i>via</i> reaction condition-dependent [3 + 2] cyclization of TosMIC.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01747d","","x-ray","0.71073","MoKα","","0.1763","0.1315","","","0.2928","0.3166","","","","","","1.428","","","","has coordinates","278895","2022-11-01","11:09:02",""
"7158966","5.9384","0.0002","19.6239","0.0008","15.697","0.0007","90","","99.037","0.004","90","","1806.54","0.13","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O4 S2 -","- C18 H18 N2 O4 S2 -","- C72 H72 N8 O16 S8 -","4","1","","Zhao, Cheng; Gu, Man-Zhen; Chen, Yi-Yuan; Hu, Xiao-Wei; Xu, Yi-Bing; Lin, Xiao-Min; Liu, Xin-Ni; Chen, Long; Chen, Guo-Shu; Liu, Yun-Lin","Catalytic divergent synthesis of imidazoles <i>via</i> reaction condition-dependent [3 + 2] cyclization of TosMIC.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01747d","","x-ray","1.54184","CuKα","","0.0971","0.0806","","","0.2106","0.2253","","","","","","1.092","","","","has coordinates","278895","2022-11-01","11:09:02",""
"7158967","9.9433","0.0001","17.2163","0.0001","18.8694","0.0001","90","","90","","90","","3230.19","0.04","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1","","- C38 H32 N4 O2 S2 -","- C38 H32 N4 O2 S2 -","- C152 H128 N16 O8 S8 -","4","1","","Liu, Baolin; Deng, Qingsong; Zhang, Lei; Meng, Xiangtai","Switchable C2/C3 positional selectivity of thioisatins in a three-component domino reaction: combined computational and experimental studies","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01764D","","x-ray","1.54184","CuKα","","0.0328","0.0313","","","0.0847","0.0861","","","","","","1.043","","","","has coordinates","278922","2022-11-03","01:44:10",""
"7158968","13.5789","0.0002","7.1947","0.0001","18.2456","0.0003","90","","106.301","0.002","90","","1710.87","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O S -","- C20 H18 N2 O S -","- C80 H72 N8 O4 S4 -","4","1","","Liu, Baolin; Deng, Qingsong; Zhang, Lei; Meng, Xiangtai","Switchable C2/C3 positional selectivity of thioisatins in a three-component domino reaction: combined computational and experimental studies","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01764D","","x-ray","1.54184","CuKα","","0.0402","0.0369","","","0.1027","0.1058","","","","","","1.089","","","","has coordinates","278922","2022-11-03","01:44:15",""
"7158969","11.4056","0.0003","7.6851","0.0001","13.5446","0.0003","90","","112.632","0.003","90","","1095.81","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl3 N2 O S -","- C21 H21 Cl3 N2 O S -","- C42 H42 Cl6 N4 O2 S2 -","2","1","","Liu, Baolin; Deng, Qingsong; Zhang, Lei; Meng, Xiangtai","Switchable C2/C3 positional selectivity of thioisatins in a three-component domino reaction: combined computational and experimental studies","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01764D","","x-ray","1.54184","CuKα","","0.0562","0.0537","","","0.1525","0.1561","","","","","","1.059","","","","has coordinates","278922","2022-11-03","01:44:18",""
"7158970","16.3292","0.001","9.8454","0.0006","18.1637","0.001","90","","109.633","0.006","90","","2750.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N2 O5 S -","- C31 H28 N2 O5 S -","- C124 H112 N8 O20 S4 -","4","1","","Liu, Baolin; Deng, Qingsong; Zhang, Lei; Meng, Xiangtai","Switchable C2/C3 positional selectivity of thioisatins in a three-component domino reaction: combined computational and experimental studies","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01764D","","x-ray","1.54184","CuKα","","0.0993","0.0635","","","0.1629","0.1857","","","","","","1.074","","","","has coordinates","278922","2022-11-03","01:44:23",""
"7158971","10.5733","0.0001","25.8833","0.0003","11.55","0.0001","90","","101.176","0.001","90","","3100.97","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Cl4 N2 S -","- C30.9997 H28.9991 Cl4 N2 S -","- C123.999 H115.996 Cl16 N8 S4 -","4","1","","Liu, Baolin; Deng, Qingsong; Zhang, Lei; Meng, Xiangtai","Switchable C2/C3 positional selectivity of thioisatins in a three-component domino reaction: combined computational and experimental studies","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01764D","","x-ray","1.54184","CuKα","","0.0743","0.072","","","0.2094","0.2124","","","","","","1.025","","","","has coordinates,has disorder","278922","2022-11-03","01:44:26",""
"7158972","9.1525","0.0002","13.3382","0.0003","20.1751","0.0004","86.377","0.001","88.462","0.001","73.916","0.001","2361.68","0.09","170","2","169.98","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H44 F8 O8 -","- C50 H44 F8 O8 -","- C100 H88 F16 O16 -","2","1","","Li, Weichun; Qin, Peng; Zhao, Xing-Xing; Qu, Wen-Juan; Lin, Qi; Yao, Hong; Wei, Tai-Bao; Zhang, You-Ming; Liu, Yuezhou; Shi, Bingbing","Fluorinated leaning pillar[6]arene: synthesis, structure and selective iodide anion binding by anion−π interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01579J","","","1.34139","GaKα","","0.0521","0.0443","","","0.1119","0.1177","","","","","","1.026","","","","has coordinates","278937","2022-11-04","01:42:24",""
"7158973","8.2394","0.0004","10.079","0.0006","15.9028","0.0008","79.577","0.002","77.886","0.002","69.796","0.002","1203.3","0.11","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H25 N O2 -","- C32 H25 N O2 -","- C64 H50 N2 O4 -","2","1","","Kumar, Y. Bharath Chaithanya; Samatha, Polasani; Mainkar, Prathama S.; Adepu, Raju","Rhodium Catalysed Intramolecular Benzannulation for the Formation of Tetracyclic Carbazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01662A","","","0.71073","MoKα","","0.1614","0.0597","","","0.1541","0.1979","","","","","","1.032","","","","has coordinates,has disorder","278938","2022-11-04","01:42:49",""
"7158974","6.2737","0.0004","18.0774","0.0006","16.6031","0.0008","90","","112.875","0.008","90","","1734.91","0.18","297.54","0.1","297.54","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 I N2 O2 S -","- C17 H17 I N2 O2 S -","- C68 H68 I4 N8 O8 S4 -","4","1","","Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.","Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01610A","","","0.71073","MoKα","","0.0458","0.0405","","","0.1171","0.1204","","","","","","1.074","","","","has coordinates","279132","2022-11-09","01:51:38",""
"7158975","8.4303","0.0004","10.1352","0.0005","11.2583","0.0004","80.979","0.004","71.424","0.004","89.642","0.004","899.57","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N2 O2 S -","- C19 H22 N2 O2 S -","- C38 H44 N4 O4 S2 -","2","1","","Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.","Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01610A","","","0.71073","MoKα","","0.066","0.0532","","","0.1496","0.162","","","","","","1.083","","","","has coordinates","279132","2022-11-09","01:51:39",""
"7158976","11.6333","0.0005","11.3408","0.0005","11.7715","0.0005","90","","101.261","0.0019","90","","1523.13","0.11","293","2","293.23","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O2 S -","- C16 H16 N2 O2 S -","- C64 H64 N8 O8 S4 -","4","1","","Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.","Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01610A","","","0.71073","MoKα","","0.0691","0.0464","","","0.1048","0.1128","","","","","","1.053","","","","has coordinates","279132","2022-11-09","01:51:39",""
"7158977","9.2441","0.0003","9.3416","0.0003","21.8748","0.0006","90","","93.805","0.003","90","","1884.83","0.1","296.33","0.1","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.","Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01610A","","","0.71073","MoKα","","0.0977","0.0535","","","0.1166","0.143","","","","","","1.036","","","","has coordinates","279132","2022-11-09","01:51:39",""
"7158978","37.1188","0.0012","7.4217","0.0002","11.9822","0.0005","90","","90","","90","","3300.9","0.2","270","40","270","40","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C152 H144 N16 O16 S8 -","8","2","","Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.","Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01610A","","","0.71073","MoKα","","0.0789","0.0578","","","0.1324","0.1464","","","","","","0.974","","","","has coordinates","279132","2022-11-09","01:51:39",""
"7158979","10.3674","0.0004","7.8969","0.0003","19.6001","0.0008","90","","102.228","0.004","90","","1568.26","0.11","473","200","473","200","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C64 H64 N8 O8 S8 -","4","1","","Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.","Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01610A","","x-ray","0.71073","MoKα","","0.0673","0.0492","","","0.1263","0.1388","","","","","","1.123","","","","has coordinates","279132","2022-11-09","01:51:39",""
"7158980","4.9797","0.0003","6.2209","0.0003","11.7288","0.0006","76.575","0.004","80.995","0.005","77.331","0.004","342.66","0.03","293","2","293","","","","","","","","","5","P 1","P 1","1","","","","- C12 H13 F3 N2 O5 -","- C12 H13 F3 N2 O5 -","- C12 H13 F3 N2 O5 -","1","1","","Sharma, Nagendra K.; Gupta, Manish Kumar","New Amino acid, Hybrid Peptides and BODIPY Analogs: Synthesis and Evaluation of 2-Aminotroponyl-L-Alanine (ATA) Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01905A","","x-ray","0.71073","MoKα","","0.0562","0.0414","","","0.1025","0.1094","","","","","","1.0394","","","","has coordinates","279240","2022-11-12","01:49:20",""
"7158981","12.8343","0.0004","8.2701","0.0003","17.3938","0.0006","90","","108.53","0.004","90","","1750.48","0.11","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O5 -","- C18 H23 N3 O5 -","- C72 H92 N12 O20 -","4","1","","Sharma, Nagendra K.; Gupta, Manish Kumar","New Amino acid, Hybrid Peptides and BODIPY Analogs: Synthesis and Evaluation of 2-Aminotroponyl-L-Alanine (ATA) Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01905A","","x-ray","0.71073","MoKα","","0.0406","0.0367","","","0.0963","0.0984","","","","","","1.063","","","","has coordinates","279240","2022-11-12","01:49:21",""
"7158982","10.5131","0.0006","11.3065","0.0007","25.1627","0.0017","90","","96.162","0.006","90","","2973.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rac-1-((1S,2R,3S)-1-(4-(trifluoromethyl)benzyl)-2-(4-(trifluoromethyl)phenyl)-2,3-dihydro-1H-benzo[f]chromen-3-yl)naphthalen-2-ol","","- C38 H26 F6 O2 -","- C38 H26 F6 O2 -","- C152 H104 F24 O8 -","4","1","","Lyu, Jiyuan; Claraz, Aurelie; Retailleau, Pascal; Masson, Geraldine","Stereoselective (1+1+4+4) and (4+2) cyclodimerizations of styrylnaphthols under aerobic visible-light irradiation and Brønsted acid catalysis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01509A","","x-ray","0.71073","MoKα","","0.075","0.0561","","","0.1412","0.152","","","","","","1.045","","","","has coordinates,has disorder","279241","2022-11-12","01:49:44",""
"7158983","7.6764","0.0015","10.42","0.002","10.633","0.002","96.896","0.006","102.772","0.005","106.607","0.005","779.4","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C40 H32 N4 O2 -","2","1","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.047","0.0419","","","0.1176","0.1235","","","","","","1.026","","","","has coordinates","279242","2022-11-12","01:51:00",""
"7158984","6.689","0.0013","11.222","0.002","13.775","0.003","109.827","0.007","97.404","0.007","104.97","0.007","912.6","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F2 N2 O2 -","- C24 H16 F2 N2 O2 -","- C48 H32 F4 N4 O4 -","2","1","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.082","0.0667","","","0.1897","0.2042","","","","","","1.074","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158985","23.3551","0.0019","6.4154","0.0005","14.5468","0.0012","90","","124.943","0.002","90","","1786.7","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H16 F2 N2 O -","- C24 H16 F2 N2 O -","- C96 H64 F8 N8 O4 -","4","1","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.048","0.0395","","","0.0935","0.0998","","","","","","1.022","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158986","4.4491","0.0002","19.9827","0.0011","19.1892","0.0011","90","","95.304","0.002","90","","1698.71","0.16","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.0633","0.0435","","","0.1026","0.1168","","","","","","1.043","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158987","4.462","","19.539","","27.233","","90","","93.35","","90","","2370.2","","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br F2 N2 -","- C14 H9 Br F2 N2 -","- C112 H72 Br8 F16 N16 -","8","2","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.0841","0.0458","","","0.0789","0.0891","","","","","","1.018","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158988","8.2236","0.0004","13.2218","0.0007","14.5288","0.0007","90","","102.306","0.002","90","","1543.43","0.13","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C80 H64 N8 O4 -","4","1","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.0823","0.05","","","0.1093","0.1266","","","","","","1.018","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158989","11.034","0.002","14.502","0.003","11.291","0.002","90","","117.137","0.005","90","","1607.8","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.0655","0.0476","","","0.1138","0.1281","","","","","","1.029","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158990","9.225","0.002","10.669","0.002","20.17","0.004","91.526","0.006","102.762","0.006","90.111","0.006","1935.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F2 N2 O2 -","- C24 H16 F2 N2 O2 -","- C96 H64 F8 N8 O8 -","4","2","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.0981","0.0474","","","0.1184","0.1445","","","","","","1.024","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158991","11.884","0.003","11.884","0.003","6.298","0.002","90","","90","","120","","770.3","0.4","150","","150","","","","","","","","","4","P 32","P 32","145","","","","- C10 H15 F O3 -","- C10 H15 F O3 -","- C30 H45 F3 O9 -","3","1","","Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John","Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01761J","","","0.71073","MoKα","","0.0914","0.0542","","","0.0805","0.0896","","","","","","1.053","","","","has coordinates","279277","2022-11-15","02:00:17",""
"7158992","6.3601","0.0004","9.4921","0.0006","29.8749","0.0018","90","","90","","90","","1803.57","0.19","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F N2 O8 -","- C17 H17 F N2 O8 -","- C68 H68 F4 N8 O32 -","4","1","","Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John","Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01761J","","","0.71073","MoKα","","0.1134","0.0716","","","0.0921","0.101","","","","","","1.14","","","","has coordinates","279277","2022-11-15","02:00:17",""
"7158993","12.3659","0.0005","12.3659","0.0005","5.8839","0.0004","90","","90","","120","","779.2","0.07","150","","150","","","","","","","","","4","P 32","P 32","145","","","","- C9 H14 F2 O4 -","- C9 H14 F2 O4 -","- C27 H42 F6 O12 -","3","1","","Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John","Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01761J","","","0.71073","MoKα","","0.0391","0.0319","","","0.068","0.0714","","","","","","1.042","","","","has coordinates","279277","2022-11-15","02:00:17",""
"7158994","7.6334","0.0003","5.7702","0.0002","11.1406","0.0005","90","","100.426","0.001","90","","482.6","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 F O3 -","- C10 H15 F O3 -","- C20 H30 F2 O6 -","2","1","","Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John","Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01761J","","","0.71073","MoKα","","0.0487","0.0394","","","0.0832","0.0871","","","","","","1.054","","","","has coordinates","279277","2022-11-15","02:00:17",""
"7158995","10.07","0.003","10.261","0.002","21.377","0.004","90","","90","","90","","2208.8","0.9","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 O6 -","- C25 H29 O6 -","- C100 H116 O24 -","4","1","","Sun, Yunpeng; Wang, Yongyue; Li, Yaqi; Wang, Siyuan; Zhang, Danyang; Kong, Lingyi; Luo, Jun","Sarcaglarone A, a lindenane–monoterpene heterodimer from the seeds of Sarcandra glabra","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01830F","","","1.54178","CuKα","","0.1322","0.0997","","","0.2359","0.2583","","","","","","0.981","","","","has coordinates,has disorder","279305","2022-11-16","01:41:16",""
"7158996","11.9638","0.0004","7.6176","0.0002","16.0976","0.0006","90","","111.574","0.001","90","","1364.28","0.08","169","2","169","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br2 F3 N2 O -","- C12 H11 Br2 F3 N2 O -","- C48 H44 Br8 F12 N8 O4 -","4","1","","Shi, Yuan; Wang, Kai; Ding, Yuxin; Xie, Yuanyuan","Transition-metal-free electrochemical oxidative C(sp2)–H trifluoromethylation of aryl aldehyde hydrazones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01734B","","","0.71073","MoKα","","0.0567","0.0494","","","0.1232","0.1276","","","","","","1.05","","","","has coordinates","279344","2022-11-17","01:53:09",""
"7158997","27.63","0.004","9.6103","0.0012","22.543","0.003","90","","123.585","0.004","90","","4986.7","1.2","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 N2 O3 -","- C31 H24 N2 O3 -","- C248 H192 N16 O24 -","8","1","","Golla, Ramesh; Valmuri , Srivardhan; Balamurugan, Rengarajan","Ag(I)-Catalyzed Cyclization of o-Alkynylacetophenones Facilitated Through Acetal Formation: Synthesis of C3-Naphthyl Indole Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01873J","","","0.71073","MoKα","","0.0672","0.0553","","","0.1422","0.1521","","","","","","1.093","","","","has coordinates","279373","2022-11-18","01:46:45",""
"7158998","9.1848","0.0002","9.7094","0.0002","14.2815","0.0002","95.361","0.002","92.618","0.001","109.065","0.002","1194.55","0.04","299.5","","299.5","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 Br N -","- C32 H24 Br N -","- C64 H48 Br2 N2 -","2","1","","Golla, Ramesh; Valmuri , Srivardhan; Balamurugan, Rengarajan","Ag(I)-Catalyzed Cyclization of o-Alkynylacetophenones Facilitated Through Acetal Formation: Synthesis of C3-Naphthyl Indole Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01873J","","x-ray","0.71073","MoKα","","0.0536","0.0385","","","0.0778","0.0823","","","","","","1.0381","","","","has coordinates","279373","2022-11-18","01:46:55",""
"7158999","15.529","0.002","19.627","0.003","31.278","0.004","90","","90","","90","","9533","2","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C91 H75 Cl3 F6 N8 Ni2 O8 -","- C91 H75 Cl3 F6 N8 Ni2 O8 -","- C364 H300 Cl12 F24 N32 Ni8 O32 -","4","1","","Arsenov, Mikhail A.; Stoletova, Nadezhda V.; Savel'yeva, Tat'yana F.; Smol'yakov, Alexander F.; Maleev, Victor I.; Loginov, Dmitry A.; Larionov, Vladimir A.","An asymmetric metal-templated route to amino acids with an isoquinolone core via a Rh(iii)-catalyzed coupling of aryl hydroxamates with chiral propargylglycine Ni(ii) complexes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01970A","","","0.71073","MoKα","","0.1194","0.0998","","","0.2545","0.2693","","","","","","1.019","","","","has coordinates","279374","2022-11-18","01:47:32",""
"7159000","8.0019","0.0003","10.5127","0.0004","17.2834","0.0006","90","","90","","90","","1453.91","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O6 -","- C14 H23 N O6 -","- C56 H92 N4 O24 -","4","1","","Klein, Marco T.; Krause, Bernhard M.; Neudörfl, Jörg-Martin; Kühne, Ronald; Schmalz, Hans-Günther","Design and synthesis of a tetracyclic tripeptide mimetic frozen in a polyproline type II (PP2) helix conformation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01857H","","","1.54178","CuKα","","0.0258","0.0256","","","0.0644","0.0646","","","","","","1.066","","","","has coordinates","279375","2022-11-18","01:48:00",""
"7159001","12.7003","0.0009","10.7468","0.0007","16.0028","0.0011","90","","105.88","0.002","90","","2100.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O4 S -","- C25 H20 N2 O4 S -","- C100 H80 N8 O16 S4 -","4","1","","Gorai, Ananta; Chakraborti, Gargi; Basak, Soumya Jyoti; Dash, Jyotirmayee","Diastereoselective Reversible C-C Bond Exchange of Oxindole-Thiazolidinediones for Dynamic Combinatorial Chemistry","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01993K","","","0.71073","MoKα","","0.0409","0.0351","","","0.0892","0.0958","","","","","","1.057","","","","has coordinates","279376","2022-11-18","01:48:34",""
"7159002","11.9951","0.0003","8.5493","0.0002","15.5588","0.0004","90","","109.035","0.001","90","","1508.3","0.07","111","2","111","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Gorai, Ananta; Chakraborti, Gargi; Basak, Soumya Jyoti; Dash, Jyotirmayee","Diastereoselective Reversible C-C Bond Exchange of Oxindole-Thiazolidinediones for Dynamic Combinatorial Chemistry","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01993K","","","0.71073","MoKα","","0.0447","0.0372","","","0.0881","0.0947","","","","","","1.057","","","","has coordinates","279376","2022-11-18","01:48:34",""
"7159003","8.3747","0.001","10.831","0.0012","18.463","0.002","90","","93.213","0.002","90","","1672.1","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O4 S -","- C17 H18 N2 O4 S -","- C68 H72 N8 O16 S4 -","4","1","","Xie, Lei; Sun, Lei; Wu, Ping; Wang, Zhaoxue; Zhao, Chenyi; Wu, Lingang; Li, Xiaojing; Gao, Zhenzhen; Liu, Wanxing; Nie, Shao-Zhen","Organocatalytic cascade nucleophilic/aza-Michael addition reactions: metal-free catalytic strategy for the synthesis of hydantoins.","Organic & biomolecular chemistry","2023","21","11","2295","2300","10.1039/d2ob01825j","","","0.71073","MoKα","","0.0492","0.0387","","","0.101","0.1089","","","","","","1.051","","","","has coordinates","283471","2023-05-05","03:22:41",""
"7159004","7.99848","0.00014","10.47849","0.00019","18.8198","0.0003","90","","90","","90","","1577.32","0.05","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N O -","- C9 H9 N O -","- C72 H72 N8 O8 -","8","2","","Yoshimura, Yuki; Tanaka, Yudai; Kobayashi, Ryota; Niikura, Kohei; Kawasaki, Tsuneomi","Asymmetric Strecker reaction at the solid/solid interface.","Organic & biomolecular chemistry","2023","21","3","520","524","10.1039/d2ob01802k","","","1.54187","CuKα","","0.0384","0.0371","","","0.1055","0.1064","","","","","","1.071","","","","has coordinates","283490","2023-05-05","03:28:56",""
"7159005","17.4716","0.0006","49.5734","0.0018","5.8374","0.0002","90","","90","","90","","5055.9","0.3","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C240 H272 N16 O32 -","16","1","","Yoshimura, Yuki; Tanaka, Yudai; Kobayashi, Ryota; Niikura, Kohei; Kawasaki, Tsuneomi","Asymmetric Strecker reaction at the solid/solid interface.","Organic & biomolecular chemistry","2023","21","3","520","524","10.1039/d2ob01802k","","","1.54187","CuKα","","0.0828","0.0702","","","0.1778","0.1891","","","","","","1.166","","","","has coordinates","283490","2023-05-05","03:28:57",""
"7159006","7.99688","0.00014","10.47544","0.00019","18.8109","0.0003","90","","90","","90","","1575.8","0.05","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","p-tolualdehyde cyanohydrin","","- C9 H9 N O -","- C9 H9 N O -","- C72 H72 N8 O8 -","8","2","","Yoshimura, Yuki; Tanaka, Yudai; Kobayashi, Ryota; Niikura, Kohei; Kawasaki, Tsuneomi","Asymmetric Strecker reaction at the solid/solid interface.","Organic & biomolecular chemistry","2023","21","3","520","524","10.1039/d2ob01802k","","","1.54187","CuKα","","0.0412","0.0408","","","0.1163","0.1166","","","","","","1.11","","","","has coordinates","283490","2023-05-05","03:29:00",""
"7159007","9.0019","0.0004","7.9707","0.0003","11.5272","0.0005","90","","106.536","0.004","90","","792.89","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O S -","- C8 H11 N O S -","- C32 H44 N4 O4 S4 -","4","1","","Yamamoto, Takuhei; Fukuta, Koki; Kariya, Yuki; Matsuura, Taiki; Hagiwara, Hiroaki; Uno, Bunji; Esaka, Yukihiro","Synthetic and computational investigation of neighboring group participation by a nucleophilic disulfide bond.","Organic & biomolecular chemistry","2022","21","1","65","68","10.1039/d2ob01574a","","x-ray","0.71073","MoKα","","0.042","0.0409","","","0.0964","0.0971","","","","","","1.032","","","","has coordinates,has disorder","281547","2023-03-04","18:37:33",""
"7159008","15.9497","0.0005","13.0829","0.0004","17.7686","0.0006","90","","94.929","0.003","90","","3694","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 O4 -","- C42 H50 O4 -","- C168 H200 O16 -","4","1","","Chen, Genhui; Li, Hongjiao; Liang, Guojuan; Pu, Qian; Bai, Lijuan; Zhang, Dexin; Ye, Ying; Li, Yong; Zhou, Jing; Zhou, Hui","Facile construction of dibenzodioxo[3.3.1]nonanes bearing spirocyclohexadienones via domino [4 + 2] cycloaddition/C(sp3)–H oxidative dehydrogenation coupling reactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01860H","","x-ray","1.54184","CuKα","","0.0723","0.0542","","","0.1405","0.1571","","","","","","1.03","","","","has coordinates","279413","2022-11-19","01:38:13",""
"7159009","6.1016","0.0006","10.4244","0.0009","10.539","0.0008","81.508","0.007","75.932","0.008","81.583","0.008","638.83","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H40 O2 -","- C28 H40 O2 -","- C28 H40 O2 -","1","0.5","","Chen, Genhui; Li, Hongjiao; Liang, Guojuan; Pu, Qian; Bai, Lijuan; Zhang, Dexin; Ye, Ying; Li, Yong; Zhou, Jing; Zhou, Hui","Facile construction of dibenzodioxo[3.3.1]nonanes bearing spirocyclohexadienones via domino [4 + 2] cycloaddition/C(sp3)–H oxidative dehydrogenation coupling reactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01860H","","x-ray","1.54184","CuKα","","0.0738","0.0527","","","0.1384","0.1576","","","","","","1.032","","","","has coordinates","279413","2022-11-19","01:38:14",""
"7159010","9.5195","0.0002","9.5196","0.0002","11.9808","0.0003","104.374","0.007","96.543","0.007","109.84","0.008","965.62","0.09","133","","133","","","","","","","","","4","P 1","P 1","1","","","","- C35 H60 N4 O7 -","- C35 H60 N4 O7 -","- C35 H60 N4 O7 -","1","1","","Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi","Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.","Organic & biomolecular chemistry","2023","21","5","970","980","10.1039/d2ob01715f","","","1.54187","CuKα","","0.0404","0.0375","","","0.09","0.0918","","","","","","1.026","","","","has coordinates","281563","2023-03-04","18:40:02",""
"7159011","9.77455","0.00019","17.1488","0.0003","24.9042","0.0005","90","","90","","90","","4174.49","0.14","133","","133","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H66 N4 O8 -","- C38 H64 N4 O8 -","- C152 H256 N16 O32 -","4","1","","Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi","Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.","Organic & biomolecular chemistry","2023","21","5","970","980","10.1039/d2ob01715f","","","1.54187","CuKα","","0.0604","0.0481","","","0.1172","0.1239","","","","","","1.051","","","","has coordinates","281563","2023-03-04","18:40:02",""
"7159012","9.84115","0.00018","34.7841","0.0006","10.1782","0.00018","90","","117.487","0.008","90","","3090.8","0.2","133","","133.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H91 Cl3 N6 O9 -","- C55 H91 Cl3 N6 O9 -","- C110 H182 Cl6 N12 O18 -","2","1","","Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi","Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.","Organic & biomolecular chemistry","2023","21","5","970","980","10.1039/d2ob01715f","","","1.54187","CuKα","","0.0941","0.0677","","","0.1326","0.1437","","","","","","1.082","","","","has coordinates","281563","2023-03-04","18:40:02",""
"7159013","5.83","0.0005","16.7011","0.0012","8.443","0.0006","90","","90.811","0.005","90","","821.99","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","45.10F2","45.10F2","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Balo, Rosalino; Fernández, Alberto G.; Chopdat, Adam; Ayadi, Soufian El; Kato, Atsushi; Estévez, Ramón J.; Fleet, George W. J.; Estévez, Juan C.","Stable d-xylose ditriflate in divergent syntheses of dihydroxy prolines, pyrrolidines, tetrahydrofuran-2-carboxylic acids, and cyclic β-amino acids","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01255C","","x-ray","0.71073","MoKα","","0.0737","0.0433","","","0.0736","0.0801","","","","","","0.951","","","","has coordinates","279452","2022-11-22","01:38:16",""
"7159014","13.2559","0.0002","8.6008","0.0001","14.9878","0.0003","90","","104.098","0.002","90","","1657.31","0.05","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Paramonova, Polina; Lebedev, Rodion; Bakulina, Olga; Dar'in, Dmitry; Krasavin, Mikhail","In situ generation of imines by the Staudinger/aza-Wittig tandem reaction combined with thermally induced Wolff rearrangement for one-pot three-component β-lactam synthesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01852G","","","1.54184","CuKα","","0.0396","0.0341","","","0.0873","0.0913","","","","","","1.032","","","","has coordinates","279485","2022-11-23","01:48:27",""
"7159015","8.0253","0.0004","10.2408","0.0005","20.0504","0.001","90","","90","","90","","1647.85","0.14","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0327","0.0326","","","0.0885","0.0886","","","","","","1.052","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159016","7.5187","0.0005","9.2274","0.0006","23.3001","0.0016","90","","90","","90","","1616.52","0.19","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0299","0.0298","","","0.0836","0.0839","","","","","","1.092","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159017","8.4578","0.0008","9.519","0.0009","19.2209","0.0018","90","","90","","90","","1547.5","0.3","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34138","GaKα","","0.0317","0.0316","","","0.0817","0.0818","","","","","","1.074","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159018","8.31","0.0017","10.917","0.002","17.12","0.004","90","","90","","90","","1553.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0353","0.0352","","","0.0947","0.0948","","","","","","1.079","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159019","6.6976","0.0004","10.7016","0.0006","11.0783","0.0006","90","","94.076","0.001","90","","792.03","0.08","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0311","0.031","","","0.0923","0.0925","","","","","","1.064","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159020","6.6669","0.0006","21.971","0.002","11.9519","0.0012","90","","103.559","0.004","90","","1701.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0542","0.0431","","","0.1152","0.1217","","","","","","1.04","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159021","9.4013","0.0005","26.2244","0.0016","12.2587","0.0007","90","","90.836","0.002","90","","3022","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H39 N O11 -","- C27 H39 N O11 -","- C108 H156 N4 O44 -","4","2","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0549","0.049","","","0.1472","0.1512","","","","","","1.098","","","","has coordinates,has disorder","281548","2023-03-04","18:37:46",""
"7159022","8.1252","0.0009","6.7892","0.0008","20.442","0.002","90","","97.88","0.005","90","","1117","0.2","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","SCTK02","","- C15 H8 O5 -","- C15 H8 O5 -","- C60 H32 O20 -","4","1","","Achari, Anushree; Chatterjee, Sourav; Dey, Sudip; Kundu, Tapas K.; Jaisankar, Parasuraman","Catecholase-catalyzed synthesis of wedelolactone, a natural coumestan and its analogs.","Organic & biomolecular chemistry","2022","21","1","89","92","10.1039/d2ob02081e","","","0.71073","MoKα","","0.0466","0.0417","","","0.1127","0.1225","","","","","","1.0913","","","","has coordinates","281552","2023-03-04","18:38:12",""
"7159023","11.2594","0.0006","17.7861","0.0011","17.1349","0.001","90","","92.839","0.002","90","","3427.2","0.3","297","2","297","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H35 Br F N3 O4 S -","- C38 H35 Br F N3 O4 S -","- C152 H140 Br4 F4 N12 O16 S4 -","4","2","","Prasad, Madavi S.; Sivaprakash, Murugesan","Asymmetric synthesis of the perhydroepoxyethanoindole core <i>via</i> sequential [4 + 2]-addition/reduction/fluoroannulation reactions.","Organic & biomolecular chemistry","2023","21","2","339","344","10.1039/d2ob02058k","","","0.71073","MoKα","","0.0718","0.0463","","","0.0849","0.0942","","","","","","1.007","","","","has coordinates","281577","2023-03-04","18:41:35",""
"7159024","17.3131","0.0009","8.5318","0.0004","11.6113","0.0004","90","","94.377","0.004","90","","1710.13","0.13","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl N O2 -","- C18 H22 Cl N O2 -","- C72 H88 Cl4 N4 O8 -","4","1","","Gong, Xin; Yu, Na; Gu, Linghui; Li, Zheyu; Ma, Wenbo; Zhao, Fei","Redox-neutral rhodium(III)-catalyzed divergent synthesis of tetrasubstituted 1,3-enynes and alkynylated benzofurans.","Organic & biomolecular chemistry","2022","21","1","147","152","10.1039/d2ob01800d","","x-ray","1.54184","CuKα","","0.0996","0.0703","","","0.177","0.1931","","","","","","1.057","","","","has coordinates","281550","2023-03-04","18:37:58",""
"7159025","5.7573","0.0003","8.3305","0.0006","30.537","0.002","90","","90","","90","","1464.59","0.16","293.1","1","293.1","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-phenylnaphtho[2,1-b]thiophen-1-amine","","- C18 H13 N S -","- C18 H13 N S -","- C72 H52 N4 S4 -","4","1","","Nguyen, Hoang Yen; Tran, Thi Minh Chau; Nguyen, Van Ha; Retailleau, Pascal; Mac, Dinh Hung; Nguyen, Thanh Binh","Reaction of 1-acetonaphthones with anilines and elemental sulfur: rapid construction of 1-anilinonaphtho[2,1-<i>b</i>]thiophenes.","Organic & biomolecular chemistry","2023","21","3","503","507","10.1039/d2ob01898e","","x-ray","0.71073","MoKα","","0.0688","0.0463","","","0.1207","0.1335","","","","","","1.027","","","","has coordinates","283494","2023-05-05","03:30:05",""
"7159026","10.0208","0.0005","9.4096","0.0005","12.163","0.0007","90","","93.034","0.002","90","","1145.26","0.11","150","2","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 B F N O3 -","- C23 H29 B F N O3 -","- C46 H58 B2 F2 N2 O6 -","2","1","","Li, Meng; Peng, Guang-Rui; Yang, Xuan; Ma, Zhen-Ning; Xie, Jian-Bo","Enantio- and diastereoselective boron conjugate addition to α-alkyl α,β-unsaturated esters.","Organic & biomolecular chemistry","2022","21","1","53","58","10.1039/d2ob01928k","","","1.34139","GaKα","","0.0609","0.0577","","","0.1624","0.1659","","","","","","1.039","","","","has coordinates,has disorder","281549","2023-03-04","18:37:52",""
"7159027","5.0257","0.0015","17.525","0.005","16.304","0.005","90","","92.944","0.01","90","","1434.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F2 N O3 -","- C16 H13 F2 N O3 -","- C64 H52 F8 N4 O12 -","4","1","","Li, Ningbo; Wang, Yuxin; Gu, Shuo; Hu, Chuqian; Yang, Qian; Jin, Zhaohui; Ouyang, Wen-Tao; Qiao, Jie; He, Wei-Min","Visible-light-initiated external photocatalyst-free synthesis of α,α-difluoro-β-ketoamides from 4-aminocoumarins.","Organic & biomolecular chemistry","2023","21","2","370","374","10.1039/d2ob01914k","","","0.71073","MoKα","","0.1844","0.063","","","0.1172","0.152","","","","","","1.007","","","","has coordinates","281578","2023-03-04","18:41:40",""
"7159028","24.7343","0.0013","24.7343","0.0013","13.8021","0.0011","90","","90","","90","","8443.9","0.9","150","2","150","","","","","","","","","5","P 42/m","-P 4c","84","","","","- C136 H218 N8 O81 S8 -","- C136 H218 N8 O81 S8 -","- C272 H436 N16 O162 S16 -","2","0.25","","Zhou, Jia-Liang; Li, Yan-Hong; Zhang, Ying-Ming; Chen, Ling; Liu, Yu","Enhanced molecular binding affinity toward aromatic dications by anthracene-derived crown ethers in water.","Organic & biomolecular chemistry","2022","21","1","107","114","10.1039/d2ob02010f","","","0.71073","MoKα","","0.2687","0.1676","","","0.4756","0.5819","","","","","","1.012","","","","has coordinates,has disorder","281551","2023-03-04","18:38:06",""
"7159029","5.759","0.002","16.083","0.006","10.639","0.004","90","","97.483","0.004","90","","977","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H16 F3 N O0 Se -","- C23 H16 F3 N Se -","- C46 H32 F6 N2 Se2 -","2","1","","Wei, Guangming; Zhang, Jiajun; Wang, Haoyuan; Chen, Zhengkai; Wu, Xiao-Feng","Radical selenylative cyclization of trifluoromethyl propargyl imines for the synthesis of trifluoromethyl- and seleno-azaspiro[4,5]-tetraenones and quinolines.","Organic & biomolecular chemistry","2023","21","2","284","288","10.1039/d2ob02033e","","","0.71073","MoKα","","0.0612","0.0456","","","0.1106","0.129","","","","","","0.978","","","","has coordinates","281576","2023-03-04","18:41:28",""
"7159030","9.6357","0.0006","12.2218","0.0008","14.9472","0.001","90","","90","","90","","1760.3","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Ma, Tao; He, Yonghui; Qiao, Xiu-Xiu; Zou, Chang-Peng; Wu, Xi-Xi; Li, Ganpeng; Zhao, Xiao-Jing","Chiral phosphoric acid-catalyzed enantioselective aza-Friedel-Crafts reaction of naphthols and electron-rich phenols with 2-aryl-3<i>H</i>-indol-3-ones.","Organic & biomolecular chemistry","2023","21","3","489","493","10.1039/d2ob02179j","","","1.54178","CuKα","","0.0335","0.0317","","","0.0836","0.0852","","","","","","1.067","","","","has coordinates","283491","2023-05-05","03:29:14",""
"7159031","6.69","0.003","9.57","0.004","21.704","0.009","90","","95.203","0.011","90","","1383.8","1","173","","173","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C31 H34 N2 O4 -","- C31 H34 N2 O4 -","- C62 H68 N4 O8 -","2","0.25","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","1.54184","CuKα","","0.1361","0.1316","","","0.3936","0.4012","","","","","","1.978","","","","has coordinates,has disorder","281574","2023-03-04","18:41:16",""
"7159032","5.9143","0.0013","10.376","0.002","7.9856","0.0018","90","","105.79","0.006","90","","471.56","0.17","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 N O2 -","- C9 H16 N O2 -","- C18 H32 N2 O4 -","2","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0468","0.0382","","","0.081","0.0857","","","","","","1.134","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159033","22.51","0.009","9.475","0.003","6.564","0.003","90","","94.085","0.006","90","","1396.4","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 O2 -","- C32 H34 N2 O2 -","- C64 H68 N4 O4 -","2","0.5","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","1.54184","CuKα","","0.1288","0.0967","","","0.2473","0.2806","","","","","","0.948","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159034","7.9818","0.0009","7.9818","0.0009","15.057","0.002","90","","90","","90","","959.3","0.2","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C9 H14 N O2 -","- C9 H14 N O2 -","- C36 H56 N4 O8 -","4","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","1.54184","CuKα","","0.0495","0.0491","","","0.1073","0.1078","","","","","","1.142","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159035","5.8003","0.0011","5.8739","0.0012","14.924","0.004","89.862","0.019","86.02","0.019","69.143","0.014","473.87","0.19","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","1","0.5","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.1057","0.076","","","0.2021","0.2187","","","","","","0.958","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159036","7.8822","0.0019","7.8822","0.0019","16.118","0.004","90","","90","","90","","1001.4","0.4","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C9 H14 N O3 -","- C9 H14 N O3 -","- C36 H56 N4 O12 -","4","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0693","0.0393","","","0.0638","0.0705","","","","","","0.949","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159037","7.7049","0.0009","8.1609","0.0017","10.0105","0.0016","102.84","0.03","94.37","0.02","117.329","0.01","533.5","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H17.56 N2 O2.44 -","- C9 H17.563 N2 O2.437 -","- C18 H35.126 N4 O4.874 -","2","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0731","0.0578","","","0.142","0.1494","","","","","","1.125","","","","has coordinates,has disorder","281574","2023-03-04","18:41:17",""
"7159038","9.4876","0.0009","10.2177","0.0011","12.7098","0.0014","90","","90","","90","","1232.1","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Br2 N O -","- C10 H14 Br2 N O -","- C40 H56 Br8 N4 O4 -","4","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0222","0.0188","","","0.0421","0.0426","","","","","","1.001","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159039","8.1283","0.0004","10.6899","0.0006","15.0823","0.0007","90","","90","","90","","1310.51","0.12","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 F2 N O3 S -","- C13 H11 F2 N O3 S -","- C52 H44 F8 N4 O12 S4 -","4","1","","Sanz-Marco, Amparo; Esperilla, Daniel; Montesinos-Magraner, Marc; Vila, Carlos; Muñoz, M. Carmen; Pedro, José R.; Blay, Gonzalo","A Cu-BOX catalysed enantioselective Mukaiyama-aldol reaction with difluorinated silyl enol ethers and acylpyridine N-oxides","Organic & Biomolecular Chemistry","2023","21","2","345","350","10.1039/D2OB01763F","","","0.71073","MoKα","","0.0739","0.0397","","","0.09","0.1096","","","","","","1","","","","has coordinates","282621","2023-04-13","12:20:52",""
"7159040","7.9771","0.0003","14.2651","0.0006","15.4453","0.0007","90","","90","","90","","1757.58","0.13","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H16 O3 -","- C24 H16 O3 -","- C96 H64 O12 -","4","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0315","0.0288","","","0.0727","0.0747","","","","","","1.103","","","","has coordinates","281553","2023-03-04","18:38:22",""
"7159041","16.4674","0.001","7.5481","0.0005","16.6864","0.001","90","","117.646","0.002","90","","1837.3","0.2","297","2","297.46","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br Cl O4 -","- C21 H15 Br Cl O4 -","- C84 H60 Br4 Cl4 O16 -","4","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.055","0.0462","","","0.1256","0.132","","","","","","1.061","","","","has coordinates","281553","2023-03-04","18:38:22",""
"7159042","52.655","0.004","7.5681","0.0004","19.8301","0.0012","90","","90","","90","","7902.3","0.9","295","2","295","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C26 H18 O4 -","- C26 H18 O4 -","- C416 H288 O64 -","16","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0384","0.0339","","","0.0851","0.0873","","","","","","1.076","","","","has coordinates","281553","2023-03-04","18:38:22",""
"7159043","5.1663","0.0002","14.7442","0.0005","12.9318","0.0005","90","","98.432","0.004","90","","974.41","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 Br O4 -","- C21 H25 Br O4 -","- C42 H50 Br2 O8 -","2","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0679","0.0544","","","0.1328","0.1402","","","","","","1.041","","","","has coordinates","281553","2023-03-04","18:38:22",""
"7159044","18.2137","0.0011","9.1058","0.0006","17.3141","0.001","90","","104.407","0.002","90","","2781.2","0.3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 O3 Ru -","- C36 H32 O3 Ru -","- C144 H128 O12 Ru4 -","4","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0231","0.0201","","","0.052","0.0543","","","","","","1.0828","","","","has coordinates","281553","2023-03-04","18:38:22",""
"7159045","19.976","0.0012","6.7233","0.0003","14.7489","0.001","90","","100.337","0.005","90","","1948.7","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Psammaplin B","(E)-3-(3'-bromo-4'-hydroxyphenyl)-2-(hydroxyimino)-N-(2''-thiocyanatoethyl)proppanamide ethyl acetate","","- C16 H20 Br N3 O5 S -","- C16 H20 Br N3 O5 S -","- C64 H80 Br4 N12 O20 S4 -","4","1","","Grundke, Caroline; Groß, Jonathan; Vierengel, Nina; Sirleaf, Jason; Schmitz, Matthias; Krieger, Leonie; Opatz, Till","Complementary mechanochemical and biphasic approaches for the synthesis of organic thiocyanates using hexacyanoferrates as non-toxic cyanide sources.","Organic & biomolecular chemistry","2023","21","3","644","650","10.1039/d2ob02216h","","","0.71073","MoKα","","0.0619","0.0437","","","0.0869","0.0966","","","","","","1.134","","","","has coordinates","283492","2023-05-05","03:29:38",""
"7159046","9.9977","0.0007","10.0721","0.0007","10.6301","0.0008","73.343","0.007","82.375","0.006","63.636","0.007","918.83","0.13","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","(E)-4,4-dimethyl-1-(3-nitro-1H-indol-1-yl)-1-phenylpent-1-en-3-one","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C42 H40 N4 O6 -","2","1","","Dutta, Lona; Chattopadhyay, Anwita; Yadav, Nisha; Ramasastry, S. S. V.","Phosphine-catalysed denitrative rearomatising (3 + 2) annulation of α,β-ynones and 3-nitroindoles.","Organic & biomolecular chemistry","2023","21","4","738","742","10.1039/d2ob02180c","","x-ray","0.71073","MoKα","","0.11","0.0648","","","0.1642","0.2074","","","","","","1.024","","","","has coordinates,has disorder","281568","2023-03-04","18:40:33",""
"7159047","9.3597","0.0008","18.0931","0.0015","7.444","0.0008","90","","96.26","0.008","90","","1253.1","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","","Obydennov, Dmitrii L.; Simbirtseva, Alena E.; Shirinkin, Alexander S.; Kornev, Mikhail Y.; Sosnovskikh, Vyacheslav Y.","A novel strategy for the functionalization and design of 4-methylene-4<i>H</i>-pyran merocyanines <i>via</i> enamination and 1,8-conjugate addition.","Organic & biomolecular chemistry","2023","21","3","600","620","10.1039/d2ob01862d","","x-ray","0.71073","MoKα","","0.1391","0.0694","","","0.1681","0.2367","","","","","","1.022","","","","has coordinates","283493","2023-05-05","03:30:00",""
"7159048","4.803","0.003","15.071","0.011","17.003","0.012","94.37","0.02","93.8","0.02","97.93","0.02","1211.8","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","2","","Dutta, Nilakshi; Dutta, Bidyutjyoti; Dutta, Apurba; Sarma, Bipul; Sarma, Diganta","Room temperature ligand-free Cu<sub>2</sub>O-H<sub>2</sub>O<sub>2</sub> catalyzed tandem oxidative synthesis of quinazoline-4(3<i>H</i>)-one and quinazoline derivatives.","Organic & biomolecular chemistry","2023","21","4","748","753","10.1039/d2ob02085h","","","0.71073","MoKα","","0.3482","0.0635","","","0.1195","0.2078","","","","","","0.805","","","","has coordinates","281572","2023-03-04","18:41:00",""
"7159049","8.1378","0.0001","24.1686","0.0004","10.0882","0.0002","90","","111.523","0.001","90","","1845.79","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N3 O3 -","- C22 H21 N3 O3 -","- C88 H84 N12 O12 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.","Assembly of isoxazol-5-one with 2-unsubstituted imidazole <i>N</i>-oxides and aldehydes.","Organic & biomolecular chemistry","2023","21","3","651","659","10.1039/d2ob02157a","","","0.71073","MoKα","","0.0536","0.0421","","","0.1019","0.1092","","","","","","1.024","","","","has coordinates","283495","2023-05-05","03:30:13",""
"7159050","8.3902","0.0002","11.0278","0.0002","14.1048","0.0003","70.487","0.001","84.727","0.001","72.34","0.001","1172.06","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C50 H54 N6 O12 -","2","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.","Assembly of isoxazol-5-one with 2-unsubstituted imidazole <i>N</i>-oxides and aldehydes.","Organic & biomolecular chemistry","2023","21","3","651","659","10.1039/d2ob02157a","","","0.71073","MoKα","","0.062","0.045","","","0.1017","0.1111","","","","","","1.019","","","","has coordinates","283495","2023-05-05","03:30:13",""
"7159051","8.026","0.0002","18.0409","0.0004","10.1247","0.0002","90","","90","","90","","1466.02","0.06","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.","Assembly of isoxazol-5-one with 2-unsubstituted imidazole <i>N</i>-oxides and aldehydes.","Organic & biomolecular chemistry","2023","21","3","651","659","10.1039/d2ob02157a","","","0.71073","MoKα","","0.0367","0.0304","","","0.0718","0.0729","","","","","","1.022","","","","has coordinates","283495","2023-05-05","03:30:13",""
"7159052","7.7044","0.0001","12.9589","0.0002","20.3448","0.0003","90","","92.514","0.001","90","","2029.28","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl2 N3 O3 -","- C22 H19 Cl2 N3 O3 -","- C88 H76 Cl8 N12 O12 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.","Assembly of isoxazol-5-one with 2-unsubstituted imidazole <i>N</i>-oxides and aldehydes.","Organic & biomolecular chemistry","2023","21","3","651","659","10.1039/d2ob02157a","","","0.71073","MoKα","","0.0404","0.0335","","","0.0823","0.0865","","","","","","1.027","","","","has coordinates","283495","2023-05-05","03:30:13",""
"7159053","10.0935","0.0001","13.2224","0.0001","28.2845","0.0002","90","","93.901","0.001","90","","3766.11","0.05","298.3","0.3","298.3","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Br N O9 S -","- C31 H30 Br N O9 S -","- C124 H120 Br4 N4 O36 S4 -","4","1","","Lin, Meng-Ling; Zheng, Ting; Liu, Hao; Wang, Ying-Xu; Dong, Lin","Three-component acyloxylation of diazo compounds with carboxylic acids and azadienes.","Organic & biomolecular chemistry","2023","21","5","925","929","10.1039/d2ob02133a","","x-ray","1.54184","CuKα","","0.0441","0.041","","","0.1229","0.1258","","","","","","1.065","","","","has coordinates","281567","2023-03-04","18:40:26",""
"7159054","15.456","0.006","8.301","0.003","13.506","0.005","90","","102.264","0.007","90","","1693.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F N O5 -","- C17 H20 F N O5 -","- C68 H80 F4 N4 O20 -","4","1","","Lv, Yanxia; Hou, Zhong-Wei; Wang, Yi; Li, Pinhua; Wang, Lei","Electrochemical monofluoroalkylation cyclization of <i>N</i>-arylacrylamides to construct monofluorinated 2-oxindoles.","Organic & biomolecular chemistry","2023","21","5","1014","1020","10.1039/d2ob01883g","","","0.71073","MoKα","","0.0765","0.0474","","","0.1143","0.1245","","","","","","1.069","","","","has coordinates","281566","2023-03-04","18:40:19",""
"7159055","12.4038","0.0019","6.0006","0.0009","18.43","0.003","90","","105.886","0.004","90","","1319.4","0.4","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O8 -","- C31 H28 N2 O8 -","- C62 H56 N4 O16 -","2","1","","van der Loo, Cornelis H. M.; Schim van der Loeff, Rutger; Martín, Avelino; Gomez-Sal, Pilar; Borst, Mark L. G.; Pouwer, Kees; Minnaard, Adriaan J.","π-Facial selectivity in the Diels-Alder reaction of glucosamine-based chiral furans and maleimides.","Organic & biomolecular chemistry","2023","21","9","1888","1894","10.1039/d2ob02221d","","","0.71073","MoKα","","0.0859","0.0452","","","0.0804","0.0962","","","","","","1.035","","","","has coordinates","283461","2023-05-05","03:19:40",""
"7159056","15.094","0.003","18.129","0.003","14.04","0.002","90","","90","","90","","3841.9","1.1","144.98","","144.98","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C168 H164 N12 O24 -","- C168 H164 N12 O24 -","- C168 H164 N12 O24 -","1","0.25","","Das, Arnab; Ghosh, Atanu; Sinha, Surajit","C5-pyrimidine-functionalized morpholino oligonucleotides exhibit differential binding affinity, target specificity and lipophilicity.","Organic & biomolecular chemistry","2023","21","6","1242","1253","10.1039/d2ob01759h","","","0.71073","MoKα","","0.0805","0.0493","","","0.1117","0.1314","","","","","","1.026","","","","has coordinates","281582","2023-03-04","18:42:17",""
"7159057","9.4913","0.0002","11.5055","0.0002","19.8764","0.0004","90","","95.697","0.002","90","","2159.82","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-chlorophenyl)-5-(5-oxo-1,5-diphenylpent-1-yn-3-yl)furan-2(5H)-one","","- C27 H19 Cl O3 -","- C27 H19 Cl O3 -","- C108 H76 Cl4 O12 -","4","1","","Zhang, Mengchu; Yu, Sifan; Hua, Ruyu; Zhang, Dan; Qiu, Huang; Hu, Wenhao","Copper-catalyzed multicomponent assembly of γ-butenolides <i>via</i> the interception of carbonyl ylides with iminium ions.","Organic & biomolecular chemistry","2023","21","4","783","788","10.1039/d2ob02075k","","x-ray","1.54184","CuKα","","0.0723","0.0635","","","0.1766","0.1844","","","","","","1.051","","","","has coordinates","281569","2023-03-04","18:40:41",""
"7159058","23.368","0.0005","13.3744","0.0003","12.7991","0.0003","90","","95.115","0.002","90","","3984.21","0.16","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 O3 -","- C27 H20 O3 -","- C216 H160 O24 -","8","1","","Zhang, Mengchu; Yu, Sifan; Hua, Ruyu; Zhang, Dan; Qiu, Huang; Hu, Wenhao","Copper-catalyzed multicomponent assembly of γ-butenolides <i>via</i> the interception of carbonyl ylides with iminium ions.","Organic & biomolecular chemistry","2023","21","4","783","788","10.1039/d2ob02075k","","x-ray","1.54184","CuKα","","0.0635","0.0452","","","0.1141","0.1259","","","","","","1.045","","","","has coordinates","281569","2023-03-04","18:40:41",""
"7159059","7.608","0.0003","10.7491","0.0003","13.6882","0.0004","104.255","0.002","103.185","0.003","102.624","0.003","1010.59","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O5 -","- C25 H19 N O5 -","- C50 H38 N2 O10 -","2","1","","Zhang, Mengchu; Yu, Sifan; Hua, Ruyu; Zhang, Dan; Qiu, Huang; Hu, Wenhao","Copper-catalyzed multicomponent assembly of γ-butenolides <i>via</i> the interception of carbonyl ylides with iminium ions.","Organic & biomolecular chemistry","2023","21","4","783","788","10.1039/d2ob02075k","","x-ray","1.54184","CuKα","","0.0498","0.0412","","","0.1077","0.1224","","","","","","1.099","","","","has coordinates","281569","2023-03-04","18:40:41",""
"7159060","5.537","0.003","11.122","0.005","13.317","0.006","100.097","0.006","96.581","0.006","96.739","0.006","794.1","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C38 H30 Br2 N4 O2 -","2","1","","Chen, Wenxi; Mao, Yan; Wang, Min; Ling, Fei; Li, Changchang; Chen, Zhangpei; Yao, Jinzhong","Rh(III)-catalyzed [4 + 1] cyclization of aryl substituted pyrazoles with cyclopropanols <i>via</i> C-H activation.","Organic & biomolecular chemistry","2023","21","4","775","782","10.1039/d2ob02001g","","","0.71073","MoKα","","0.0563","0.0364","","","0.07","0.0752","","","","","","1.024","","","","has coordinates","281571","2023-03-04","18:40:55",""
"7159061","13.321","0.002","6.8496","0.0011","18.783","0.003","90","","110.77","","90","","1602.4","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C76 H56 N8 O12 -","4","1","","Sarkar, Prabhat; Saha, Pinaki; Ghosh, Prasanta; Mukhopadhyay, Chhanda","Metal-free, I<sub>2</sub>-promoted direct synthesis of 2-cyano-substituted maleimides <i>via</i> a unique 3,3-dicyano-2-arylacrylic acid intermediate.","Organic & biomolecular chemistry","2023","21","4","789","796","10.1039/d2ob01725c","","","0.71073","MoKα","","0.0972","0.0597","","","0.1521","0.1796","","","","","","0.979","","","","has coordinates","281573","2023-03-04","18:41:07",""
"7159062","10.9737","0.0017","7.6375","0.0012","17.77","0.003","90","","102.947","0.005","90","","1451.5","0.4","164","2","164","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O3 -","- C18 H12 N2 O3 -","- C72 H48 N8 O12 -","4","1","","Sarkar, Prabhat; Saha, Pinaki; Ghosh, Prasanta; Mukhopadhyay, Chhanda","Metal-free, I<sub>2</sub>-promoted direct synthesis of 2-cyano-substituted maleimides <i>via</i> a unique 3,3-dicyano-2-arylacrylic acid intermediate.","Organic & biomolecular chemistry","2023","21","4","789","796","10.1039/d2ob01725c","","","0.71073","MoKα","","0.0649","0.0555","","","0.1642","0.1756","","","","","","1.003","","","","has coordinates","281573","2023-03-04","18:41:07",""
"7159063","8.342","0.003","12.518","0.005","13.597","0.005","87.692","0.005","75.65","0.006","77.497","0.006","1342.8","0.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","0918","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","2","","Wu, Qingkun; Hou, Jingxuan; Gu, Qingshan; Gao, Hui; Shi, Meiqi; Zheng, Lu","PhI(OAc)<sub>2</sub>/Pd(OAc)<sub>2</sub> promoted the formation of 8-hydroxyquinoline derivatives from benzoxazoles and alcohols.","Organic & biomolecular chemistry","2023","21","6","1148","1152","10.1039/d2ob01712a","","","0.71073","MoKα","","0.1067","0.0554","","","0.1165","0.1416","","","","","","1.0148","","","","has coordinates","281581","2023-03-04","18:42:10",""
"7159064","10.03496","0.00017","12.9944","0.0002","13.45263","0.0002","71.2298","0.0014","77.3026","0.0013","82.5521","0.0014","1616.99","0.05","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H34 O4 S2 -","- C39 H34 O4 S2 -","- C78 H68 O8 S4 -","2","1","","Hsueh, Nai-Chen; Wang, Yu-Han; Chang, Meng-Yang","Sequential condensation and double desulfonylative cyclopropanation of 1,2-bis(sulfonylmethyl)arenes with 3-arylacroleins: access to biscyclopropane-fused tetralins.","Organic & biomolecular chemistry","2023","21","6","1206","1221","10.1039/d2ob02188a","","x-ray","0.71073","MoKα","","0.0415","0.0365","","","0.0955","0.0986","","","","","","1.103","","","","has coordinates","281579","2023-03-04","18:41:49",""
"7159065","10.0372","0.0002","13.1158","0.0002","13.3176","0.0003","70.533","0.002","77.497","0.002","82.641","0.001","1610.8","0.06","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H33 F O4 S2 -","- C39 H33 F O4 S2 -","- C78 H66 F2 O8 S4 -","2","1","","Hsueh, Nai-Chen; Wang, Yu-Han; Chang, Meng-Yang","Sequential condensation and double desulfonylative cyclopropanation of 1,2-bis(sulfonylmethyl)arenes with 3-arylacroleins: access to biscyclopropane-fused tetralins.","Organic & biomolecular chemistry","2023","21","6","1206","1221","10.1039/d2ob02188a","","x-ray","0.71073","MoKα","","0.0407","0.0375","","","0.1009","0.1032","","","","","","1.069","","","","has coordinates","281579","2023-03-04","18:41:49",""
"7159066","10.1215","0.0003","12.73","0.0003","13.7066","0.0004","76","0.002","76.377","0.003","83.538","0.002","1662.49","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 O5 S2 -","- C40 H36 O5 S2 -","- C80 H72 O10 S4 -","2","1","","Hsueh, Nai-Chen; Wang, Yu-Han; Chang, Meng-Yang","Sequential condensation and double desulfonylative cyclopropanation of 1,2-bis(sulfonylmethyl)arenes with 3-arylacroleins: access to biscyclopropane-fused tetralins.","Organic & biomolecular chemistry","2023","21","6","1206","1221","10.1039/d2ob02188a","","x-ray","0.71073","MoKα","","0.0383","0.0342","","","0.0908","0.0934","","","","","","1.077","","","","has coordinates","281579","2023-03-04","18:41:49",""
"7159067","13.4129","0.0003","9.4208","0.0002","20.8615","0.0004","90","","99.682","0.002","90","","2598.52","0.1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 O3 S -","- C33 H30 O3 S -","- C132 H120 O12 S4 -","4","1","","Hsueh, Nai-Chen; Wang, Yu-Han; Chang, Meng-Yang","Sequential condensation and double desulfonylative cyclopropanation of 1,2-bis(sulfonylmethyl)arenes with 3-arylacroleins: access to biscyclopropane-fused tetralins.","Organic & biomolecular chemistry","2023","21","6","1206","1221","10.1039/d2ob02188a","","x-ray","0.71073","MoKα","","0.0399","0.0359","","","0.0953","0.0977","","","","","","1.056","","","","has coordinates","281579","2023-03-04","18:41:49",""
"7159068","4.896","0.005","10.615","0.012","26.62","0.03","90","","90","","90","","1383","3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 I N O -","- C16 H12 I N O -","- C64 H48 I4 N4 O4 -","4","1","","Deng, Haowen; Wang, Jianshe; He, Wei; Ye, Yang; Bai, Renren; Zhang, Xuelei; Ye, Xiang-Yang; Xie, Tian; Hui, Zi","Microwave-assisted rapid synthesis of chiral oxazolines.","Organic & biomolecular chemistry","2023","21","11","2312","2319","10.1039/d2ob02192g","","","0.71073","MoKα","","0.0765","0.0346","","","0.0581","0.0695","","","","","","0.997","","","","has coordinates","283473","2023-05-05","03:23:04",""
"7159069","10.5837","0.0011","14.4099","0.0013","12.4674","0.0013","90","","90.773","0.004","90","","1901.2","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Raji Reddy, Chada; Nair, Karna; Patil, Amol D.; Donthiri, Ramachandra Reddy; Grée, René","Domino alkyne insertion/aldol reaction/aromatization of 2-alkynyl indole-3-carbaldehyde with 1,3-diketones: entry to 2-indolyl phenols","Organic & Biomolecular Chemistry","2023","21","5","1046","1055","10.1039/D2OB02025D","","","0.71073","MoKα","","0.0978","0.0666","","","0.144","0.1642","","","","","","1.072","","","","has coordinates","282621","2023-04-13","12:20:53",""
"7159070","8.012","0.0001","11.4236","0.0002","18.6445","0.0003","90","","101.794","0.002","90","","1670.43","0.05","104.3","0.8","104.3","0.8","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H53 N O5 Si2 -","- C32 H53 N O5 Si2 -","- C64 H106 N2 O10 Si4 -","2","1","","Earl, Andrew D. W.; Li, Freda F.; Ma, Chao; Furkert, Daniel P.; Brimble, Margaret A.","Stereoselective synthesis of the spirocyclic core of 13-desmethyl spirolide C using an aza-Claisen rearrangement and an <i>exo</i>-selective Diels-Alder cycloaddition.","Organic & biomolecular chemistry","2023","21","6","1222","1234","10.1039/d2ob01992b","","x-ray","1.54184","CuKα","","0.034","0.0311","","","0.0735","0.0747","","","","","","1.037","","","","has coordinates","281583","2023-03-04","18:42:22",""
"7159071","23.9849","0.0014","14.481","0.0008","12.3512","0.0006","90","","117.884","0.003","90","","3791.8","0.4","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H38 O10 -","- C32 H38 O10 -","- C128 H152 O40 -","4","1","","Shang, Chong; Huang, Xiao-Yan; Wang, Yuan; Dong, Wei; He, Xiao-Feng; Li, Tian-Ze; Chen, Ji-Jun","Artemongolides A-F, undescribed sesquiterpenoid dimers from <i>Artemisia mongolica</i> and their antihepatic fibrosis activities.","Organic & biomolecular chemistry","2023","21","4","823","831","10.1039/d2ob02182j","","","1.54178","CuKα","","0.0898","0.0728","","","0.2117","0.2296","","","","","","1.072","","","","has coordinates","281570","2023-03-04","18:40:49",""
"7159072","9.7168","0.0002","13.2364","0.0003","24.3055","0.0005","90","","90","","90","","3126.06","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 O9 -","- C33 H50 O9 -","- C132 H200 O36 -","4","1","","Shang, Chong; Huang, Xiao-Yan; Wang, Yuan; Dong, Wei; He, Xiao-Feng; Li, Tian-Ze; Chen, Ji-Jun","Artemongolides A-F, undescribed sesquiterpenoid dimers from <i>Artemisia mongolica</i> and their antihepatic fibrosis activities.","Organic & biomolecular chemistry","2023","21","4","823","831","10.1039/d2ob02182j","","","1.54178","CuKα","","0.0257","0.0255","","","0.0651","0.0652","","","","","","1.035","","","","has coordinates,has disorder","281570","2023-03-04","18:40:49",""
"7159073","14.5446","0.0012","7.9372","0.0006","15.4692","0.0013","90","","107.17","0.003","90","","1706.2","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H35 Cl N2 O7 S -","- C36 H35 Cl N2 O7 S -","- C72 H70 Cl2 N4 O14 S2 -","2","1","","Prasad, Madavi S.; Sivaprakash, Murugesan; Bharani, Sankar; Chowhan, L. Raju","Trienamine catalysed unprecedented remote olefin <i>E</i>/<i>Z</i> isomerisation/[4 + 2]-cycloaddition reaction to access spirooxindole hexahydroindoles.","Organic & biomolecular chemistry","2023","21","5","945","949","10.1039/d2ob02228a","","","0.71073","MoKα","","0.0898","0.0542","","","0.1133","0.1314","","","","","","1.033","","","","has coordinates","281564","2023-03-04","18:40:07",""
"7159074","16.0354","0.0008","8.8058","0.0004","21.4285","0.0011","90","","101.895","0.002","90","","2960.8","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Cl2 N O3 -","- C32 H21 Cl2 N O3 -","- C128 H84 Cl8 N4 O12 -","4","1","","Guan, Pengcheng; Ma, Rong; Liu, Minghui; Kong, Lingkai; Han, Yu; Wang, Chengyu","AlCl<sub>3</sub>-catalyzed chemoselective cascade reactions of 4-anilinocoumarins with 2-furylcarbinols: access to densely functionalized chromeno[4,3-<i>b</i>]pyrrol-4(1<i>H</i>)-one derivatives.","Organic & biomolecular chemistry","2023","21","7","1379","1383","10.1039/d2ob02248f","","","0.71073","MoKα","","0.0613","0.0498","","","0.1301","0.1364","","","","","","1.057","","","","has coordinates","281593","2023-03-04","18:44:22",""
"7159075","14.7295","0.0001","15.7269","0.0001","22.3191","0.0002","108.009","0.0006","104.293","0.0006","93.4445","0.0006","4712.21","0.07","93","2","93","2","","","","","","","","4","P -1","-P 1","2","asymetrically substituted tripyrrin","1-(3,5-di-tert-butyl)phenylamino-14-(3,5-bis(trifluoromethyl)phenylamino)tripyrrin","","- C108 H114 F12 N10 -","- C108 H114 F12 N10 -","- C216 H228 F24 N20 -","2","1","","Fukuda, Yui; Akamatsu, Yuki; Umetani, Masataka; Kise, Koki; Kato, Kenichi; Osuka, Atsuhiro; Tanaka, Takayuki","Double helices of dissymmetrical α,α'-disubstituted tripyrrins.","Organic & biomolecular chemistry","2023","21","6","1158","1162","10.1039/d2ob02125k","","","1.54184","CuKα","","0.05","0.0477","","","0.1255","0.1274","","","","","","1.031","","","","has coordinates,has disorder","281580","2023-03-04","18:42:01",""
"7159076","28.6554","0.0004","15.7158","0.0002","16.5684","0.0002","90","","91.549","0.001","90","","7458.73","0.17","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(4-methoxyphenylamino)-14-(3,5-bis(trifluoromethyl)phenylamino)tripyrrin","","- C42 H31 Cl2 F6 N5 O -","- C42 H31 Cl2 F6 N5 O -","- C336 H248 Cl16 F48 N40 O8 -","8","1","","Fukuda, Yui; Akamatsu, Yuki; Umetani, Masataka; Kise, Koki; Kato, Kenichi; Osuka, Atsuhiro; Tanaka, Takayuki","Double helices of dissymmetrical α,α'-disubstituted tripyrrins.","Organic & biomolecular chemistry","2023","21","6","1158","1162","10.1039/d2ob02125k","","","1.54184","CuKα","","0.0726","0.0699","","","0.2076","0.2104","","","","","","1.102","","","","has coordinates,has disorder","281580","2023-03-04","18:42:01",""
"7159077","9.0597","0.001","10.5126","0.001","15.4673","0.0014","90","","91.397","0.009","90","","1472.7","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","1","","Roy, Moumita Singha; Meng, Xiaofeng; Koda, Karuna; Shrestha, Andrina; Putman, Joshua I.; Gout, Delphine; Armstrong, Daniel W.; Lovely, Carl J.","Total synthesis of haploscleridamine, villagorgin A and an approach towards lissoclin C.","Organic & biomolecular chemistry","2023","21","7","1422","1434","10.1039/d2ob01908f","","x-ray","0.71073","MoKα","","0.0761","0.0761","","","0.0447","0.0447","","","","1.54","1.54","1.54","","","","has coordinates","281591","2023-03-04","18:44:09",""
"7159078","10.5924","0.001","12.6329","0.0011","15.3842","0.0017","90","","92.6","0.004","90","","2056.5","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N3 S -","- C24 H25 N3 S -","- C96 H100 N12 S4 -","4","1","","Ye, Peng; Li, Huan-Le; Pu, Jun; Chen, Lei; Wang, Shuang; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Iridium-catalysed thioether-directed regioselective cycloaddition of internal alkynes with azides.","Organic & biomolecular chemistry","2023","21","7","1389","1394","10.1039/d2ob02082c","","x-ray","0.71073","MoKα","","0.1071","0.0719","","","0.1808","0.2034","","","","","","1.033","","","","has coordinates","281588","2023-03-04","18:43:39",""
"7159079","18.218","0.0006","18.4206","0.0006","29.4522","0.001","105.871","0.003","95.14","0.003","114.061","0.003","8450.4","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C262 H266 Cl24 N40 O42 -","- C262 H176 Cl24 N40 O42 -","- C262 H176 Cl24 N40 O42 -","1","0.5","","Menke, Friedericke S.; Mazzier, Daniela; Wicher, Barbara; Allmendinger, Lars; Kauffmann, Brice; Maurizot, Victor; Huc, Ivan","Molecular torsion springs: alteration of helix curvature in frustrated tertiary folds.","Organic & biomolecular chemistry","2023","21","6","1275","1283","10.1039/d2ob02109a","","","1.54184","CuKα","","0.1777","0.1624","","","0.4515","0.4671","","","","","","1.811","","","","has coordinates,has disorder","281584","2023-03-04","18:42:37",""
"7159080","25.12","0.005","27.45","0.006","40.02","0.008","90","","90","","90","","27596","10","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C245.7 H233.7 Cl23.69 N40 O42 -","- C245.036 H139.696 Cl23.696 N40 O42 -","- C980.144 H558.784 Cl94.784 N160 O168 -","4","0.5","","Menke, Friedericke S.; Mazzier, Daniela; Wicher, Barbara; Allmendinger, Lars; Kauffmann, Brice; Maurizot, Victor; Huc, Ivan","Molecular torsion springs: alteration of helix curvature in frustrated tertiary folds.","Organic & biomolecular chemistry","2023","21","6","1275","1283","10.1039/d2ob02109a","","","0.81","synchrotron","","0.1606","0.1596","","","0.544","0.548","","","","","","3.204","","","","has coordinates,has disorder","281584","2023-03-04","18:42:37",""
"7159081","6.03944","0.00015","12.8249","0.0003","27.8674","0.0008","90","","90","","90","","2158.48","0.1","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","2","","Liu, Wen; Wang, Liang; Mu, Haiping; Zhang, Qian; Fang, Zeguo; Li, Dong","Synthesis of cyano-substituted γ-lactams through a copper-catalyzed cascade cyclization/cyanation reaction.","Organic & biomolecular chemistry","2023","","","","","10.1039/d2ob02086f","","x-ray","1.54184","CuKα","","0.063","0.0472","","","0.1161","0.1326","","","","","","1.032","","","","has coordinates","280409","2023-01-18","03:32:59",""
"7159082","7.2778","0.0002","10.1592","0.0004","10.846","0.0004","91.681","0.003","102.741","0.003","101.624","0.003","763.84","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","diethyl (phenyl(propionamido)methyl)phosphonate","","- C14 H22 N O4 P -","- C14 H22 N O4 P -","- C28 H44 N2 O8 P2 -","2","1","","Varga, Petra Regina; Karaghiosoff, Konstantin; Sári, Éva Viktória; Simon, András; Hegedűs, László; Drahos, László; Keglevich, György","New N-acyl- as well as N-phosphonoylmethyl- and N-phosphinoylmethyl-α-amino-benzylphosphonates by acylation and a tandem Kabachnik–Fields protocol","Organic & Biomolecular Chemistry","2023","21","8","1709","1718","10.1039/D3OB00010A","","","0.71073","MoKα","","0.0486","0.039","","","0.0998","0.1072","","","","","","1.026","","","","has coordinates","282621","2023-04-13","12:20:53",""
"7159083","6.786","0.002","15.114","0.005","24.774","0.008","90","","90","","90","","2540.9","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 N2 O3 Si -","- C23 H36 N2 O3 Si -","- C92 H144 N8 O12 Si4 -","4","1","","Zhang, Yu; Yi, Zi-Juan; Yang, Ai-Mei; Guo, Jia-Ming; Li, Xin; Wei, Bang-Guo","AgSbF<sub>6</sub>-catalyzed C3 <i>aza</i>-Friedel-Crafts alkylation of <i>N</i>,<i>O</i>-acetals with indoles for the synthesis of <i>N-α</i> indole substituted pyrrolidine and piperidine derivatives.","Organic & biomolecular chemistry","2023","21","6","1303","1315","10.1039/d2ob02213c","","","0.71073","MoKα","","0.0788","0.0489","","","0.1138","0.1339","","","","","","1.016","","","","has coordinates","281585","2023-03-04","18:42:45",""
"7159084","10.206","0.0005","11.4624","0.0006","12.4467","0.0006","90","","106.937","0.002","90","","1392.92","0.12","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H44 N2 O3 Si -","- C27 H44 N2 O3 Si -","- C54 H88 N4 O6 Si2 -","2","1","","Zhang, Yu; Yi, Zi-Juan; Yang, Ai-Mei; Guo, Jia-Ming; Li, Xin; Wei, Bang-Guo","AgSbF<sub>6</sub>-catalyzed C3 <i>aza</i>-Friedel-Crafts alkylation of <i>N</i>,<i>O</i>-acetals with indoles for the synthesis of <i>N-α</i> indole substituted pyrrolidine and piperidine derivatives.","Organic & biomolecular chemistry","2023","21","6","1303","1315","10.1039/d2ob02213c","","","0.71073","MoKα","","0.0435","0.04","","","0.1032","0.1071","","","","","","1.044","","","","has coordinates,has disorder","281585","2023-03-04","18:42:45",""
"7159085","8.6384","0.0009","19.8168","0.0019","9.4404","0.0011","90","","99.588","0.01","90","","1593.5","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C20H14N2O3","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","","Padmavathi, Rayavarapu; Babu, Srinivasarao Arulananda","Pd(II)-catalyzed selective β-C-H functionalization of azobenzene carboxamides.","Organic & biomolecular chemistry","2023","21","13","2689","2694","10.1039/d2ob02261c","","x-ray","0.71073","MoKα","","0.0817","0.0507","","","0.131","0.1634","","","","","","1.043","","","","has coordinates","283450","2023-05-05","03:16:53",""
"7159086","13.5849","0.0003","10.6443","0.0003","15.6105","0.0004","90","","100.498","0.001","90","","2219.52","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 F3 N O4 -","- C25 H30 F3 N O4 -","- C100 H120 F12 N4 O16 -","4","2","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.1003","0.058","","","0.0986","0.1151","","","","","","1.008","","","","has coordinates","281587","2023-03-04","18:43:32",""
"7159087","9.0266","0.0017","11.611","0.002","20.467","0.003","90","","90","","90","","2145.1","0.6","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 F3 N O4 -","- C24 H28 F3 N O4 -","- C96 H112 F12 N4 O16 -","4","1","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.059","0.0458","","","0.0942","0.1003","","","","","","1.033","","","","has coordinates","281587","2023-03-04","18:43:32",""
"7159088","7.0711","0.0013","10.67","0.002","15.423","0.003","90","","100.581","0.004","90","","1143.9","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H32 F3 N O4 -","- C26 H32 F3 N O4 -","- C52 H64 F6 N2 O8 -","2","1","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","x-ray","0.71073","MoKα","","0.0518","0.0414","","","0.1015","0.1102","","","","","","1.044","","","","has coordinates,has disorder","281587","2023-03-04","18:43:32",""
"7159089","7.9944","0.0002","11.8989","0.0003","25.114","0.0006","90","","90","","90","","2388.96","0.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 F3 N O4 -","- C27 H34 F3 N O4 -","- C108 H136 F12 N4 O16 -","4","1","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.0337","0.0315","","","0.0766","0.0779","","","","","","1.02","","","","has coordinates","281587","2023-03-04","18:43:32",""
"7159090","10.0899","0.0007","7.6365","0.0005","26.1261","0.0017","90","","98.814","0.003","90","","1989.3","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 F3 N2 O4 -","- C23 H23 F3 N2 O4 -","- C92 H92 F12 N8 O16 -","4","2","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.1003","0.0997","","","0.2873","0.29","","","","","","1.457","","","","has coordinates","281587","2023-03-04","18:43:32",""
"7159091","8.86737","0.00003","15.02535","0.00006","17.36072","0.00007","90","","91.6634","0.0003","90","","2312.09","0.015","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F3 N3 -","- C29 H24 F3 N3 -","- C116 H96 F12 N12 -","4","1","","Xu, Xin; Gao, Dandan; Wang, Jiahua; Tang, Xiang-Ying; Wang, Long","The B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>·H<sub>2</sub>O promoted synthesis of fluoroalkylated 3,3',3''-trisindolylmethanes from fluorocarboxylic acids and indoles.","Organic & biomolecular chemistry","2023","21","7","1478","1486","10.1039/d2ob02241a","","x-ray","1.54184","CuKα","","0.0381","0.0377","","","0.0925","0.0928","","","","","","1.073","","","","has coordinates","281592","2023-03-04","18:44:16",""
"7159092","9.3177","0.0001","11.8518","0.0001","19.9301","0.0002","96.903","0.001","93.425","0.001","106.005","0.001","2090.29","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 F2 N3 O -","- C26 H21 F2 N3 O -","- C104 H84 F8 N12 O4 -","4","2","","Xu, Xin; Gao, Dandan; Wang, Jiahua; Tang, Xiang-Ying; Wang, Long","The B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>·H<sub>2</sub>O promoted synthesis of fluoroalkylated 3,3',3''-trisindolylmethanes from fluorocarboxylic acids and indoles.","Organic & biomolecular chemistry","2023","21","7","1478","1486","10.1039/d2ob02241a","","x-ray","1.54184","CuKα","","0.0389","0.0376","","","0.0909","0.0918","","","","","","1.009","","","","has coordinates","281592","2023-03-04","18:44:16",""
"7159093","10.912","0.005","13.188","0.006","13.432","0.007","63.593","0.006","77.553","0.007","72.143","0.007","1640.8","1.4","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H30 O4 -","- C37 H30 O4 -","- C74 H60 O8 -","2","1","","Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin","Fused diethynylbenzenes and phenanthrenes <i>via</i> arynes with alkynylsilanes.","Organic & biomolecular chemistry","2023","21","13","2715","2719","10.1039/d2ob02046g","","x-ray","0.71073","MoKα","","0.1313","0.0642","","","0.1768","0.2149","","","","","","0.931","","","","has coordinates","283451","2023-05-05","03:17:09",""
"7159094","10.123","0.0006","11.5763","0.0008","14.0706","0.0009","89.032","0.002","77.087","0.002","80.029","0.002","1582.51","0.18","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H39 N O2 S Si -","- C32 H39 N O2 S Si -","- C64 H78 N2 O4 S2 Si2 -","2","1","","Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin","Fused diethynylbenzenes and phenanthrenes <i>via</i> arynes with alkynylsilanes.","Organic & biomolecular chemistry","2023","21","13","2715","2719","10.1039/d2ob02046g","","","0.71073","MoKα","","0.1248","0.0653","","","0.1711","0.2137","","","","","","1.012","","","","has coordinates,has disorder","283451","2023-05-05","03:17:11",""
"7159095","11.57","0.0008","12.6302","0.0008","15.0893","0.001","111.575","0.002","96.279","0.002","102.106","0.002","1962.3","0.2","300","","300","","","","","","","","","4","P -1","-P 1","2","","8a-ok","","- C42 H46 O4 Si -","- C42 H46 O4 Si -","- C84 H92 O8 Si2 -","2","1","","Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin","Fused diethynylbenzenes and phenanthrenes <i>via</i> arynes with alkynylsilanes.","Organic & biomolecular chemistry","2023","21","13","2715","2719","10.1039/d2ob02046g","","x-ray","0.71073","MoKα","","0.1182","0.0598","","","0.1584","0.1923","","","","","","1.037","","","","has coordinates,has disorder","283451","2023-05-05","03:17:21",""
"7159096","25.511","0.003","14.995","0.003","15.259","0.002","90","","115.37","0.006","90","","5274.2","1.4","273","2","273.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 O4 -","- C35 H26 O4 -","- C280 H208 O32 -","8","1","","Dong, Jie; Lei, Yu; Hu, Qiong; Zong, Lingli; Zhang, Ke; Zhang, Yajuan; Hu, Yimin","Fused diethynylbenzenes and phenanthrenes <i>via</i> arynes with alkynylsilanes.","Organic & biomolecular chemistry","2023","21","13","2715","2719","10.1039/d2ob02046g","","x-ray","0.71073","MoKα","","0.129","0.075","","","0.1883","0.2271","","","","","","1.091","","","","has coordinates","283451","2023-05-05","03:17:23",""
"7159097","9.286","0.006","21.161","0.016","18.146","0.013","90","","90.84","0.02","90","","3565","4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5R,7aS)-3-(4-Chlorophenyl)-7,7-dimethyl-7a-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-d][1,2,4]oxadiazol-5-ol","","- C38 H38 Cl2 N4 O4 -","- C38 H38 Cl2 N4 O4 -","- C152 H152 Cl8 N16 O16 -","4","1","","Ivanova, Evgeniya E.; Shabalin, Dmitrii A.; Ushakov, Igor' A.; Vashchenko, Alexander V.; Schmidt, Elena Yu; Trofimov, Boris A.","Diastereoselective synthesis of tetrahydropyrrolo[1,2-<i>d</i>]oxadiazoles from functionalized Δ<sup>1</sup>-pyrrolines and <i>in situ</i> generated nitrile oxides.","Organic & biomolecular chemistry","2023","21","8","1725","1736","10.1039/d2ob02230c","","","0.71073","MoKα","","0.121","0.05","","","0.0952","0.1172","","","","","","1.025","","","","has coordinates","281561","2023-03-04","18:39:46",""
"7159098","14.5995","0.0002","10.0324","0.0002","27.7318","0.0005","90","","104.995","0.0018","90","","3923.5","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 N3 O7 S2 -","- C43 H45 N3 O7 S2 -","- C172 H180 N12 O28 S8 -","4","1","","Zhou, Shun; Qian, Hui-Ling; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Yin, Jun-Qing; Zhang, Yan-Ping; Chen, Ming-Feng; Yuan, Wei-Cheng","Diastereoselective synthesis of polycyclic indolines <i>via</i> dearomative [4 + 2] cycloaddition of 3-nitroindoles with <i>ortho</i>-aminophenyl <i>p</i>-quinone methides.","Organic & biomolecular chemistry","2023","21","7","1373","1378","10.1039/d2ob02303b","","x-ray","1.54184","CuKα","","0.0696","0.0552","","","0.1513","0.1659","","","","","","1.035","","","","has coordinates,has disorder","281586","2023-03-04","18:42:51",""
"7159099","8.3525","0.0007","11.4569","0.0009","14.7293","0.0011","90","","90.936","0.002","90","","1409.31","0.19","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.","Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.","Organic & biomolecular chemistry","2023","21","8","1657","1661","10.1039/d3ob00004d","","","0.71073","MoKα","","0.0659","0.0446","","","0.0863","0.0968","","","","","","1.048","","","","has coordinates","281558","2023-03-04","18:39:07",""
"7159100","5.695","0.003","15.637","0.008","15.874","0.008","90","","90","","90","","1413.6","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.","Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.","Organic & biomolecular chemistry","2023","21","8","1657","1661","10.1039/d3ob00004d","","","0.71073","MoKα","","0.2664","0.0851","","","0.1763","0.2597","","","","","","0.916","","","","has coordinates","281558","2023-03-04","18:39:08",""
"7159101","15.974","0.007","5.729","0.003","18.827","0.011","90","","119.69","0.011","90","","1496.8","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.","Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.","Organic & biomolecular chemistry","2023","21","8","1657","1661","10.1039/d3ob00004d","","","0.71073","MoKα","","0.1547","0.06","","","0.1467","0.1955","","","","","","1.014","","","","has coordinates","281558","2023-03-04","18:39:08",""
"7159102","10.61","0.002","12.799","0.003","14.258","0.003","63.537","0.005","72.847","0.005","80.933","0.005","1655.5","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","2","","Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.","Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.","Organic & biomolecular chemistry","2023","21","8","1657","1661","10.1039/d3ob00004d","","","0.71073","MoKα","","0.1253","0.0566","","","0.1508","0.1983","","","","","","1.026","","","","has coordinates","281558","2023-03-04","18:39:08",""
"7159103","7.6673","0.0018","10.263","0.002","20.044","0.004","90","","95.911","0.005","90","","1568.9","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C80 H60 N12 O8 -","4","1","","Sankaram, G. Siva; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.","Rhodium(III)-catalyzed oxidative annulation of <i>N</i>-arylbenzamidines with maleimides <i>via</i> dual C-H activation.","Organic & biomolecular chemistry","2023","21","8","1719","1724","10.1039/d2ob01972h","","","0.71073","MoKα","","0.0786","0.0494","","","0.123","0.142","","","","","","1.065","","","","has coordinates","281557","2023-03-04","18:38:59",""
"7159104","18.464","0.002","7.3813","0.0009","21.18","0.002","90","","110.522","0.005","90","","2703.4","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 N3 O2 -","- C18 H11 N3 O2 -","- C144 H88 N24 O16 -","8","2","","Sankaram, G. Siva; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.","Rhodium(III)-catalyzed oxidative annulation of <i>N</i>-arylbenzamidines with maleimides <i>via</i> dual C-H activation.","Organic & biomolecular chemistry","2023","21","8","1719","1724","10.1039/d2ob01972h","","","0.71073","MoKα","","0.0971","0.0598","","","0.1481","0.1731","","","","","","1.013","","","","has coordinates","281557","2023-03-04","18:38:59",""
"7159105","15.9413","0.0002","11.7661","0.0001","19.6971","0.0002","90","","90","","90","","3694.52","0.07","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O3 S -","- C23 H20 O3 S -","- C184 H160 O24 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0346","0.0313","","","0.0806","0.0823","","","","","","1.06","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159106","9.7982","0.0003","13.2829","0.0004","16.3495","0.0004","113.228","0.002","99","0.002","97.42","0.002","1888.14","0.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 O6 S2 -","- C46 H40 O6 S2 -","- C92 H80 O12 S4 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0429","0.0367","","","0.0968","0.1005","","","","","","1.051","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159107","9.6718","0.0003","10.5127","0.0002","12.847","0.0003","113.403","0.002","103.061","0.002","99.138","0.002","1121.72","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 O3 S -","- C29 H24 O3 S -","- C58 H48 O6 S2 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0398","0.0359","","","0.0941","0.097","","","","","","1.056","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159108","10.3517","0.0001","14.6496","0.0002","16.2001","0.0003","85.358","0.001","75.291","0.001","69.754","0.001","2229.33","0.06","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Cl6 F2 O6 S2 -","- C46 H36 Cl6 F2 O6 S2 -","- C92 H72 Cl12 F4 O12 S4 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0525","0.0484","","","0.1337","0.1374","","","","","","1.053","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159109","10.3072","0.0001","14.275","0.0003","15.3721","0.0004","62.701","0.002","86.646","0.002","73.353","0.001","1918.57","0.08","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 O6 S2 -","- C40 H38 O6 S2 -","- C80 H76 O12 S4 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0699","0.0566","","","0.1609","0.1681","","","","","","1.066","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159110","9.1316","0.0002","12.7947","0.0003","14.486","0.0004","106.306","0.002","107.568","0.002","98.437","0.002","1498.28","0.07","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H36 O6 -","- C38 H36 O6 -","- C76 H72 O12 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0542","0.0413","","","0.1025","0.1081","","","","","","1.116","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159111","11.1955","0.0004","13.5009","0.0006","14.0064","0.0006","91.424","0.003","109.342","0.004","107.452","0.004","1887.39","0.15","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 O8 S2 -","- C42 H36 O8 S2 -","- C84 H72 O16 S4 -","2","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0897","0.0623","","","0.1425","0.152","","","","","","1.059","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159112","16.1182","0.0003","11.9825","0.0002","20.408","0.0004","90","","105.952","0.002","90","","3789.75","0.13","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O4 S -","- C23 H22 O4 S -","- C184 H176 O32 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0502","0.0456","","","0.1285","0.1315","","","","","","1.103","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159113","9.7564","0.0002","14.7638","0.0002","17.1919","0.0003","90","","101.078","0.001","90","","2430.2","0.07","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O3 S -","- C30 H26 O3 S -","- C120 H104 O12 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0415","0.0357","","","0.0919","0.0952","","","","","","1.077","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159114","14.1278","0.0003","16.6555","0.0003","17.1139","0.0003","85.246","0.002","87.858","0.002","74.443","0.002","3865.64","0.13","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C11.29 H10.35 O1.41 S0.47 -","- C11.2941 H10.3529 O1.41176 S0.470588 -","- C192 H176 O24 S8 -","17","8.5","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0779","0.0579","","","0.1527","0.163","","","","","","1.06","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159115","15.231","0.002","8.7746","0.001","18.051","0.003","90","","101.917","0.014","90","","2360.4","0.6","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","C30H24N4O","","- C30 H24 N4 O -","- C30 H24 N4 O -","- C120 H96 N16 O4 -","4","1","","Suwasia, Sonam; Venkataramani, Sugumar; Babu, Srinivasarao Arulananda","Pd(II)-catalyzed coupling of C-H bonds of carboxamides with iodoazobenzenes toward modified azobenzenes.","Organic & biomolecular chemistry","2023","21","8","1793","1813","10.1039/d2ob02322a","","x-ray","0.71073","MoKα","","0.3211","0.1101","","","0.2698","0.423","","","","","","0.928","","","","has coordinates","281562","2023-03-04","18:39:52",""
"7159116","13.2258","0.0005","8.0745","0.0003","19.2139","0.0008","90","","109.317","0.001","90","","1936.37","0.13","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 F N2 S -","- C24 H15 F N2 S -","- C96 H60 F4 N8 S4 -","4","1","","Sahoo, Ashish Kumar; Rakshit, Amitava; Pan, Avishek; Dhara, Hirendra Nath; Patel, Bhisma K.","Visible/solar-light-driven thiyl-radical-triggered synthesis of multi-substituted pyridines.","Organic & biomolecular chemistry","2023","21","8","1680","1691","10.1039/d3ob00009e","","","0.71073","MoKα","","0.0601","0.0407","","","0.0973","0.1182","","","","","","1.037","","","","has coordinates","281559","2023-03-04","18:39:14",""
"7159117","11.691","0.0019","10.8177","0.0018","13.581","0.002","90","","99.087","0.005","90","","1696","0.5","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1E,4Z,6E)-5-hydroxy-1,7-bis(4-methoxyphenyl)hepta-1,4,6-trien-3-one","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","0.5","","Ferreira, Joana R. M.; Alves, Mariana; Sousa, Bárbara; Vieira, Sandra I.; Silva, Artur M. S.; Guieu, Samuel; Cunha, Ângela; Nunes da Silva, Raquel","Curcumin-based molecular probes for fluorescence imaging of fungi","Organic & Biomolecular Chemistry","2023","21","7","1531","1536","10.1039/D2OB01872A","","","0.71073","MoKα","","0.0646","0.0465","","","0.1311","0.1483","","","","","","1.084","","","","has coordinates","282621","2023-04-13","12:20:53",""
"7159118","8.84","0.02","10.7","0.03","11.53","0.03","66.33","0.05","75.73","0.07","85.18","0.05","968","4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,2-difluoro-4,6-bis((E)-4-methoxystyryl)-2H-1l3,3,2l4-dioxaborinine","","- C23 H23 B F2 O4.5 -","- C23 H23 B F2 O4.5 -","- C46 H46 B2 F4 O9 -","2","1","","Ferreira, Joana R. M.; Alves, Mariana; Sousa, Bárbara; Vieira, Sandra I.; Silva, Artur M. S.; Guieu, Samuel; Cunha, Ângela; Nunes da Silva, Raquel","Curcumin-based molecular probes for fluorescence imaging of fungi","Organic & Biomolecular Chemistry","2023","21","7","1531","1536","10.1039/D2OB01872A","","","0.71073","MoKα","","0.0894","0.0543","","","0.1264","0.1442","","","","","","1.023","","","","has coordinates","282621","2023-04-13","12:20:53",""
"7159119","6.2441","0.0003","25.3839","0.0008","8.4223","0.0003","90","","101.995","0.004","90","","1305.78","0.09","298.37","0.1","298.37","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O3 -","- C14 H15 N3 O2.994 -","- C56 H60 N12 O11.976 -","4","1","","Li, Yarui; Huang, Xiaoxia; Peng, Shiyong; Wang, Jian; Lang, Ming","NHC-catalyzed [3 + 3] cycloaddition of α-bromoenals with nitroketene aminals or nitroketene <i>N</i>,<i>S</i>-acetals: synthesis of nitro-containing dihydropyridin-2-ones.","Organic & biomolecular chemistry","2023","21","7","1399","1403","10.1039/d2ob02334b","","x-ray","1.54184","CuKα","","0.0688","0.061","","","0.1816","0.1895","","","","","","1.099","","","","has coordinates,has disorder","281590","2023-03-04","18:44:03",""
"7159120","8.1791","0.0001","19.9839","0.0003","20.2957","0.0003","90","","90","","90","","3317.34","0.08","298.98","0.1","298.98","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H15 F N2 O3 S -","- C18 H15 F N2 O3 S -","- C144 H120 F8 N16 O24 S8 -","8","1","","Li, Yarui; Huang, Xiaoxia; Peng, Shiyong; Wang, Jian; Lang, Ming","NHC-catalyzed [3 + 3] cycloaddition of α-bromoenals with nitroketene aminals or nitroketene <i>N</i>,<i>S</i>-acetals: synthesis of nitro-containing dihydropyridin-2-ones.","Organic & biomolecular chemistry","2023","21","7","1399","1403","10.1039/d2ob02334b","","x-ray","1.54184","CuKα","","0.0392","0.0349","","","0.0953","0.0986","","","","","","1.056","","","","has coordinates","281590","2023-03-04","18:44:03",""
"7159121","8.0523","0.0017","13.171","0.003","17.268","0.004","90","","90","","90","","1831.4","0.7","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Belabbes, Asmaa; Retamosa, María Gracia; Foubelo, Francisco; Sirvent, Ana; Nájera, Carmen; Yus, Miguel; Sansano, José M","Pseudo-multicomponent 1,3-dipolar cycloaddition involving metal-free generation of unactivated azomethine ylides.","Organic & biomolecular chemistry","2023","21","9","1927","1936","10.1039/d3ob00023k","","","0.71073","MoKα","","0.0963","0.0447","","","0.0844","0.1038","","","","","","0.967","","","","has coordinates","283460","2023-05-05","03:19:34",""
"7159122","6.873","0.0014","20.799","0.004","12.761","0.003","90","","104.29","0.03","90","","1767.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N O4 -","- C21 H20 N O4 -","- C84 H80 N4 O16 -","4","1","","Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E","Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.","Organic & biomolecular chemistry","2023","21","8","1780","1792","10.1039/d2ob02101c","","","0.7108","Synchrotron","","0.0688","0.0649","","","0.1968","0.2021","","","","","","1.138","","","","has coordinates","281560","2023-03-04","18:39:38",""
"7159123","5.8355","0.0002","11.8125","0.0005","14.5365","0.0006","110.197","0.004","96.116","0.003","91.402","0.003","933.05","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E","Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.","Organic & biomolecular chemistry","2023","21","8","1780","1792","10.1039/d2ob02101c","","x-ray","0.71073","MoKα","","0.0634","0.0483","","","0.1236","0.1327","","","","","","1.07","","","","has coordinates","281560","2023-03-04","18:39:39",""
"7159124","10.664","0.002","34.087","0.007","8.888","0.0018","90","","94.83","0.03","90","","3219.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39.75 N2 O6.25 -","- C36 H39.75 N2 O6.25 -","- C144 H159 N8 O25 -","4","1","","Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E","Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.","Organic & biomolecular chemistry","2023","21","8","1780","1792","10.1039/d2ob02101c","","","0.7108","Synchrotron","","0.0647","0.0623","","","0.174","0.1762","","","","","","1.057","","","","has coordinates,has disorder","281560","2023-03-04","18:39:39",""
"7159125","8.681","0.0017","20.795","0.004","17.362","0.004","90","","91.3","0.03","90","","3133.4","1.1","100","","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H34 N2 O6 -","- C34 H34 N2 O6 -","- C136 H136 N8 O24 -","4","2","","Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E","Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.","Organic & biomolecular chemistry","2023","21","8","1780","1792","10.1039/d2ob02101c","","","0.7108","Synchrotron","","0.0879","0.0801","","","0.2142","0.228","","","","","","1.037","","","","has coordinates,has disorder","281560","2023-03-04","18:39:39",""
"7159126","22.7717","0.0003","10.3216","0.0002","30.7588","0.0005","90","","90","","90","","7229.6","0.2","93.15","","93.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C96 H64 N16 -","- C96 H64 N16 -","- C384 H256 N64 -","4","1","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","x-ray","1.54184","CuKα","","0.0579","0.0453","","","0.1125","0.1213","","","","","","1.032","","","","has coordinates","283456","2023-05-05","03:18:36",""
"7159127","7.93703","0.00015","15.3896","0.0003","16.2323","0.0003","90","","101.588","0.007","90","","1942.32","0.08","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 F12 N4 -","- C20 H8 F12 N4 -","- C80 H32 F48 N16 -","4","1","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","","1.54187","CuKα","","0.0614","0.0547","","","0.1485","0.1548","","","","","","1.032","","","","has coordinates","283456","2023-05-05","03:18:36",""
"7159128","9.1606","0.0002","24.5485","0.0006","9.1691","0.0002","90","","100.233","0.002","90","","2029.14","0.08","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C84 H96 N16 O20 -","- C84 H96 N16 O20 -","- C84 H96 N16 O20 -","1","0.5","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","x-ray","1.54184","CuKα","","0.1611","0.1315","","","0.3082","0.3433","","","","","","1.289","","","","has coordinates","283456","2023-05-05","03:18:36",""
"7159129","11.8372","0.0001","23.7847","0.0002","15.4728","0.0001","90","","102.643","0.001","90","","4250.65","0.06","93.15","","93.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 N10 O2 -","- C46 H54 N10 O2 -","- C184 H216 N40 O8 -","4","1","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","x-ray","1.54184","CuKα","","0.0552","0.0483","","","0.1289","0.1345","","","","","","1.029","","","","has coordinates","283456","2023-05-05","03:18:36",""
"7159130","5.4722","0.0005","12.8218","0.0009","8.8354","0.0009","90","","105.364","0.01","90","","597.77","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","1.54184","CuKα","","0.0801","0.0767","","","0.2031","0.2065","","","","","","1.106","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159131","9.7675","0.0001","23.1204","0.0002","13.4373","0.0001","90","","98.672","0.001","90","","2999.83","0.05","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C136 H192 O24 -","8","2","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","","1.54184","CuKα","","0.0403","0.0385","","","0.098","0.0992","","","","","","1.044","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159132","7.5883","0.0004","10.7072","0.0006","18.4766","0.001","83.372","0.005","83.439","0.004","78.335","0.005","1453.99","0.14","100","2","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","2","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","0.71073","MoKα","","0.0488","0.0398","","","0.097","0.1012","","","","","","1.02","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159133","11.9019","0.0002","7.0079","0.0001","17.7102","0.0003","90","","102.749","0.002","90","","1440.74","0.04","102","5","102","5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H96 O12 -","- C68 H96 O12 -","- C68 H96 O12 -","1","0.25","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","1.54184","CuKα","","0.0873","0.0727","","","0.227","0.2859","","","","","","1.306","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159134","8.2032","0.0003","9.4524","0.0004","11.3516","0.0005","70.439","0.004","69.026","0.004","81.96","0.003","774.25","0.06","297.97","0.1","297.97","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","1.54184","CuKα","","0.0419","0.0397","","","0.0999","0.1014","","","","","","1.055","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159135","14.2304","0.0003","8.42504","0.00017","26.0136","0.0005","90","","104.012","0.002","90","","3026.01","0.11","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10.46 H14.15 O2.46 -","- C10.4615 H14.1538 O2.46154 -","- C136 H184 O32 -","13","3.25","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","1.54184","CuKα","","0.1193","0.087","","","0.2097","0.2222","","","","","","1.256","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159136","5.9066","0.0005","11.7075","0.0007","17.8583","0.0017","90","","94.904","0.008","90","","1230.41","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","0.71073","MoKα","","0.0723","0.0498","","","0.132","0.1439","","","","","","1.084","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159137","11.4095","0.0005","11.5799","0.0005","11.8088","0.0005","103.504","0.004","93.744","0.004","100.253","0.004","1483.49","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H48 O6 -","- C34 H48 O6 -","- C68 H96 O12 -","2","1","","Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue","Synthesis of the ABC ring system of kadlongilactones.","Organic & biomolecular chemistry","2023","21","8","1704","1708","10.1039/d2ob01701f","","x-ray","0.71073","MoKα","","0.0463","0.0395","","","0.1046","0.1079","","","","","","1.088","","","","has coordinates","281556","2023-03-04","18:38:51",""
"7159138","9.424","0.004","9.886","0.004","10.482","0.004","69.255","0.012","76.26","0.014","89.585","0.014","883.9","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C40 H38 N2 O6 S2 -","2","1","","Zheng, Jing; Gu, Hong; Chen, Qinfang; Yang, Weiran","Access to thiazoline and spiro[indoline-3,3'-thiophene] scaffolds <i>via</i> a formal [3 + 2] annulation reaction of crotonate-derived sulfur ylides and β-ketothioamides.","Organic & biomolecular chemistry","2023","21","10","2069","2080","10.1039/d3ob00087g","","","0.71073","MoKα","","0.0626","0.054","","","0.1469","0.1548","","","","","","1.031","","","","has coordinates","283432","2023-05-05","03:10:03",""
"7159139","26.464","0.011","9.374","0.004","19.7","0.01","90","","130.263","0.013","90","","3729","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O3 S -","- C21 H20 N2 O3 S -","- C168 H160 N16 O24 S8 -","8","1","","Zheng, Jing; Gu, Hong; Chen, Qinfang; Yang, Weiran","Access to thiazoline and spiro[indoline-3,3'-thiophene] scaffolds <i>via</i> a formal [3 + 2] annulation reaction of crotonate-derived sulfur ylides and β-ketothioamides.","Organic & biomolecular chemistry","2023","21","10","2069","2080","10.1039/d3ob00087g","","","0.71073","MoKα","","0.0939","0.0728","","","0.1944","0.2074","","","","","","1.032","","","","has coordinates,has disorder","283432","2023-05-05","03:10:03",""
"7159140","7.6322","0.0005","14.823","0.0011","15.0281","0.0012","83.056","0.007","82.898","0.006","89.355","0.006","1674.7","0.2","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N S2 -","- C21 H17 N S2 -","- C84 H68 N4 S8 -","4","2","","Chen, Shanping; Li, Zhuoqin; Hu, Kai; Feng, Wei; Mao, Guojiang; Xiao, Fuhong; Deng, Guo-Jun","Three-component selective synthesis of phenothiazines and bis-phenothiazines under metal-free conditions.","Organic & biomolecular chemistry","2023","21","9","1920","1926","10.1039/d3ob00055a","","x-ray","0.71073","MoKα","","0.0819","0.0687","","","0.1862","0.1993","","","","","","1.058","","","","has coordinates","281599","2023-03-04","18:45:25",""
"7159141","6.7853","0.0001","9.8587","0.0001","28.5856","0.0002","90","","90","","90","","1912.21","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O3 -","- C21 H31 N O3 -","- C84 H124 N4 O12 -","4","1","","Tao, Qiaoqiao; Sang, Yining; Han, Tao; Zhou, Hongling; Zhang, Peng; Cai, Xiaofeng","20-<i>nor</i>-Isopimarane and isopimarane diterpenoids produced by <i>Aspergillus</i> sp. WT03.","Organic & biomolecular chemistry","2023","21","9","1895","1902","10.1039/d3ob00005b","","x-ray","1.54184","CuKα","","0.0328","0.0317","","","0.0803","0.0817","","","","","","1.064","","","","has coordinates","281597","2023-03-04","18:45:05",""
"7159142","7.4277","0.0001","10.9119","0.0001","20.6052","0.0002","90","","90","","90","","1670.06","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Tao, Qiaoqiao; Sang, Yining; Han, Tao; Zhou, Hongling; Zhang, Peng; Cai, Xiaofeng","20-<i>nor</i>-Isopimarane and isopimarane diterpenoids produced by <i>Aspergillus</i> sp. WT03.","Organic & biomolecular chemistry","2023","21","9","1895","1902","10.1039/d3ob00005b","","x-ray","1.54184","CuKα","","0.0304","0.0301","","","0.0824","0.0826","","","","","","1.065","","","","has coordinates","281597","2023-03-04","18:45:05",""
"7159143","6.48213","0.00005","15.3945","0.00009","17.15474","0.00011","90","","90","","90","","1711.86","0.02","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Tao, Qiaoqiao; Sang, Yining; Han, Tao; Zhou, Hongling; Zhang, Peng; Cai, Xiaofeng","20-<i>nor</i>-Isopimarane and isopimarane diterpenoids produced by <i>Aspergillus</i> sp. WT03.","Organic & biomolecular chemistry","2023","21","9","1895","1902","10.1039/d3ob00005b","","x-ray","1.54184","CuKα","","0.029","0.0284","","","0.0762","0.0767","","","","","","1.043","","","","has coordinates","281597","2023-03-04","18:45:05",""
"7159144","7.8043","0.0001","7.9255","0.0001","14.7343","0.0001","74.454","0.001","77.638","0.001","88.287","0.001","857.296","0.017","100.55","0.1","100.55","0.1","","","","","","","","4","P -1","-P 1","2","4B","","","- C22 H18 F2 O3 -","- C22 H18 F2 O3 -","- C44 H36 F4 O6 -","2","1","","Di Filippo, Mara; Baumann, Marcus","Carbene-controlled regioselectivity in photochemical cascades.","Organic & biomolecular chemistry","2023","21","14","2930","2934","10.1039/d3ob00122a","","x-ray","1.54184","CuKα","","0.0403","0.0359","","","0.0888","0.0923","","","","","","1.069","","","","has coordinates","283457","2023-05-05","03:18:42",""
"7159145","8.6257","0.0003","10.2667","0.0003","10.6007","0.0003","86.328","0.002","76.801","0.003","87.255","0.003","911.56","0.05","103","2","103","2","","","","","","","","4","P -1","-P 1","2","4J","","","- C23 H21 F O4 -","- C23 H21 F O4 -","- C46 H42 F2 O8 -","2","1","","Di Filippo, Mara; Baumann, Marcus","Carbene-controlled regioselectivity in photochemical cascades.","Organic & biomolecular chemistry","2023","21","14","2930","2934","10.1039/d3ob00122a","","x-ray","1.54184","CuKα","","0.0486","0.0366","","","0.0917","0.0998","","","","","","1.035","","","","has coordinates","283457","2023-05-05","03:18:52",""
"7159146","9.1455","0.0001","9.4692","0.0001","11.2256","0.0001","102.202","0.001","91.572","0.001","100.076","0.001","933.428","0.017","103.8","0.3","103.8","0.3","","","","","","","","3","P -1","-P 1","2","4K","","","- C23 H24 O5 -","- C23 H24 O5 -","- C46 H48 O10 -","2","1","","Di Filippo, Mara; Baumann, Marcus","Carbene-controlled regioselectivity in photochemical cascades.","Organic & biomolecular chemistry","2023","21","14","2930","2934","10.1039/d3ob00122a","","x-ray","1.54184","CuKα","","0.0376","0.0346","","","0.0947","0.0974","","","","","","1.064","","","","has coordinates","283457","2023-05-05","03:18:55",""
"7159147","17.3929","0.0002","15.7397","0.0001","21.0528","0.0002","90","","112.606","0.001","90","","5320.59","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H51 N15 O6 S3 -","- C54 H51 N15 O6 S3 -","- C216 H204 N60 O24 S12 -","4","1","","Dey, Sovan; Das, Arindam; Yadav, Ram Naresh; Boruah, Palash Jyoti; Bakli, Prerana; Baishya, Tania; Sarkar, Koushik; Barman, Anup; Sahu, Ranabir; Maji, Biplab; Paul, Amit Kumar; Hossain, Md Firoj","Visiblelight-induced ternary electron donor-acceptor complex enabled synthesis of 2-(2-hydrazinyl) thiazole derivatives and the assessment of their antioxidant and antidiabetic therapeutic potential.","Organic & biomolecular chemistry","2023","21","8","1771","1779","10.1039/d2ob02308c","","x-ray","1.54184","CuKα","","0.0413","0.0355","","","0.1009","0.1053","","","","","","1.053","","","","has coordinates","281554","2023-03-04","18:38:32",""
"7159148","9.6178","0.0001","12.1204","0.0001","14.8624","0.0001","90","","99.539","0.001","90","","1708.58","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br2 N3 S -","- C17 H13 Br2 N3 S -","- C68 H52 Br8 N12 S4 -","4","1","","Dey, Sovan; Das, Arindam; Yadav, Ram Naresh; Boruah, Palash Jyoti; Bakli, Prerana; Baishya, Tania; Sarkar, Koushik; Barman, Anup; Sahu, Ranabir; Maji, Biplab; Paul, Amit Kumar; Hossain, Md Firoj","Visiblelight-induced ternary electron donor-acceptor complex enabled synthesis of 2-(2-hydrazinyl) thiazole derivatives and the assessment of their antioxidant and antidiabetic therapeutic potential.","Organic & biomolecular chemistry","2023","21","8","1771","1779","10.1039/d2ob02308c","","x-ray","1.54184","CuKα","","0.0355","0.033","","","0.0849","0.0863","","","","","","1.05","","","","has coordinates","281554","2023-03-04","18:38:33",""
"7159149","18.341","0.0002","7.2916","0.0001","25.2961","0.0002","90","","106.696","0.001","90","","3240.36","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-4-(4-chlorophenyl)-2-(2-nitrobenzylidene)hydrazinyl)thiazole","","- C16 H11 Cl N4 O2 S -","- C16 H11 Cl N4 O2 S -","- C128 H88 Cl8 N32 O16 S8 -","8","2","","Dey, Sovan; Das, Arindam; Yadav, Ram Naresh; Boruah, Palash Jyoti; Bakli, Prerana; Baishya, Tania; Sarkar, Koushik; Barman, Anup; Sahu, Ranabir; Maji, Biplab; Paul, Amit Kumar; Hossain, Md Firoj","Visiblelight-induced ternary electron donor-acceptor complex enabled synthesis of 2-(2-hydrazinyl) thiazole derivatives and the assessment of their antioxidant and antidiabetic therapeutic potential.","Organic & biomolecular chemistry","2023","21","8","1771","1779","10.1039/d2ob02308c","","x-ray","1.54184","CuKα","","0.0369","0.0323","","","0.0892","0.0924","","","","","","1.05","","","","has coordinates","281554","2023-03-04","18:38:33",""
"7159150","5.107","0.004","24.81","0.02","9.865","0.008","90","","92.955","0.017","90","","1248.3","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 N O3 S -","- C13 H11 N O3 S -","- C52 H44 N4 O12 S4 -","4","2","","Aich, Shobhon; Nandi, Rajesh; Chatterjee, Nirbhik; Gayen, Krishnanka S.; Pal, Subhasis; Maiti, Dilip K.","Catalytic I<sub>2</sub>-moist DMSO-mediated synthesis of valuable α-amidohydroxyketones and unsymmetrical <i>gem</i>-bisamides from benzimidates.","Organic & biomolecular chemistry","2023","21","12","2524","2530","10.1039/d3ob00165b","","","0.71073","MoKα","","0.1834","0.0829","","","0.1819","0.2395","","","","","","1.028","","","","has coordinates","283480","2023-05-05","03:24:52",""
"7159151","8.2419","0.0015","10.5399","0.0019","11.222","0.002","99.154","0.003","93.011","0.003","102.359","0.003","936.3","0.3","296","1","296","1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O -","- C25 H21 N O -","- C50 H42 N2 O2 -","2","1","","Ma, Jin-Tian; Chen, Ting; Chen, Xiang-Long; Zhou, You; Yu, Zhi-Cheng; Zhuang, Shi-Yi; Wu, Yan-Dong; Xiang, Jia-Chen; Wu, An-Xin","Aniline assisted dimerization of phenylalanines: convenient synthesis of 2-aroyl-3-arylquinoline in an I<sub>2</sub>-DMSO system.","Organic & biomolecular chemistry","2023","21","10","2091","2095","10.1039/d2ob02283d","","","0.71073","MoKα","","0.072","0.0567","","","0.1652","0.187","","","","","","1.04","","","","has coordinates","283435","2023-05-05","03:10:28",""
"7159152","21.0341","0.0005","12.7886","0.0002","26.3878","0.0006","90","","109.626","0.003","90","","6685.9","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H63 Cl3 N2 O10 -","- C73 H63 Cl3 N2 O10 -","- C292 H252 Cl12 N8 O40 -","4","1","","Laha, Banamali; Suresh, Alati; Namboothiri, Irishi N. N.","Regio- and stereoselective synthesis of functionalized tetrahydro-benzochromenes and hexahydrochromenochromenones <i>via</i> [4 + 2] annulation of curcumins with nitrochromenes.","Organic & biomolecular chemistry","2023","21","9","1872","1877","10.1039/d2ob02211g","","x-ray","0.71073","MoKα","","0.0865","0.071","","","0.2077","0.2252","","","","","","1.023","","","","has coordinates","281596","2023-03-04","18:44:57",""
"7159153","10.6287","0.0009","11.9136","0.0007","12.2552","0.0009","90","","113.667","0.01","90","","1421.3","0.2","200","16","200","16","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H26 Br N O5 -","- C34 H26 Br N O5 -","- C68 H52 Br2 N2 O10 -","2","1","","Laha, Banamali; Suresh, Alati; Namboothiri, Irishi N. N.","Regio- and stereoselective synthesis of functionalized tetrahydro-benzochromenes and hexahydrochromenochromenones <i>via</i> [4 + 2] annulation of curcumins with nitrochromenes.","Organic & biomolecular chemistry","2023","21","9","1872","1877","10.1039/d2ob02211g","","x-ray","0.71073","MoKα","","0.1056","0.0474","","","0.0706","0.0886","","","","","","1.002","","","","has coordinates","281596","2023-03-04","18:44:57",""
"7159154","8.5674","0.0006","9.4995","0.0007","9.95","0.0007","85.1","0.006","81.305","0.006","68.735","0.007","745.57","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C38 H28 O8 -","2","1","","Prakash, Meher; Samanta, Sampak","Base-promoted cyclization of <i>ortho</i>-hydroxyacetophenones with <i>in situ</i> generated cyclopropenes: diastereoselective access to spirobenzo[<i>b</i>]oxepines and related precursors.","Organic & biomolecular chemistry","2023","21","9","2001","2014","10.1039/d3ob00077j","","x-ray","0.71073","MoKα","","0.0719","0.0575","","","0.1447","0.1533","","","","","","1.0415","","","","has coordinates","281598","2023-03-04","18:45:19",""
"7159155","11.8421","0.0003","14.4124","0.0005","20.4372","0.0007","90","","101.814","0.003","90","","3414.19","0.19","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C176 H144 O24 -","8","1","","Prakash, Meher; Samanta, Sampak","Base-promoted cyclization of <i>ortho</i>-hydroxyacetophenones with <i>in situ</i> generated cyclopropenes: diastereoselective access to spirobenzo[<i>b</i>]oxepines and related precursors.","Organic & biomolecular chemistry","2023","21","9","2001","2014","10.1039/d3ob00077j","","x-ray","1.54184","CuKα","","0.0876","0.069","","","0.1824","0.2176","","","","","","1.0358","","","","has coordinates","281598","2023-03-04","18:45:19",""
"7159156","9.1585","0.0003","10.7347","0.0004","11.6344","0.0005","93.7241","0.0017","98.7149","0.0018","99.1029","0.0017","1111.73","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C58 H44 N4 O4 -","2","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.1127","0.0654","","","0.1776","0.2109","","","","","","1.057","","","","has coordinates","281595","2023-03-04","18:44:48",""
"7159157","18.7888","0.0012","10.0222","0.0004","12.1293","0.0008","90","","90","","90","","2284","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H22 N2 O3 -","- C29 H22 N2 O3 -","- C116 H88 N8 O12 -","4","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.07","0.0541","","","0.1317","0.1438","","","","","","1.033","","","","has coordinates","281595","2023-03-04","18:44:49",""
"7159158","11.3549","0.0003","10.5712","0.0004","18.7259","0.0006","90","","93.0039","0.0014","90","","2244.67","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O2 -","- C28 H19 Br N2 O2 -","- C112 H76 Br4 N8 O8 -","4","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.0487","0.035","","","0.0812","0.0879","","","","","","1.026","","","","has coordinates","281595","2023-03-04","18:44:49",""
"7159159","8.783","0.004","12.932","0.005","20.255","0.009","90","","90","","90","","2300.6","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 F N O2 -","- C30 H22 F N O2 -","- C120 H88 F4 N4 O8 -","4","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.1638","0.0669","","","0.1538","0.1909","","","","","","0.824","","","","has coordinates","281595","2023-03-04","18:44:49",""
"7159160","7.0317","0.0004","18.8318","0.0012","8.3435","0.0006","90","","99.423","0.002","90","","1089.93","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C56 H40 N4 O4 -","2","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.1154","0.051","","","0.1175","0.1502","","","","","","0.968","","","","has coordinates","281595","2023-03-04","18:44:49",""
"7159161","12.6907","0.0007","16.3431","0.0009","13.3615","0.0009","90","","118.292","0.002","90","","2440.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N2 O3 -","- C30 H24 N2 O3 -","- C120 H96 N8 O12 -","4","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.0805","0.0441","","","0.0994","0.121","","","","","","1.006","","","","has coordinates","281595","2023-03-04","18:44:49",""
"7159162","8.3089","0.0004","16.9378","0.001","22.9234","0.0013","90","","90","","90","","3226.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MZ-11","","","- C32 H43 N5 O4 Si -","- C32 H43 N5 O4 Si -","- C128 H172 N20 O16 Si4 -","4","1","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","","0.71073","MoKα","","0.1274","0.1001","","","0.1894","0.2021","","","","","","1.455","","","","has coordinates","283434","2023-05-05","03:10:21",""
"7159163","9.2221","0.0005","9.3018","0.0006","13.1569","0.0008","72.678","0.003","89.071","0.003","76.638","0.003","1046.59","0.11","150","2","150","2","","","","","","","","5","P 1","P 1","1","Borbasa 725","","","- C46 H45 Cl2 N9 O2 -","- C46 H45 Cl2 N9 O2 -","- C46 H45 Cl2 N9 O2 -","1","1","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","x-ray","0.71073","MoKα","","0.0895","0.0622","","","0.159","0.1868","","","","","","1.042","","","","has coordinates","283434","2023-05-05","03:10:21",""
"7159164","7.2246","0.0003","14.0455","0.0007","24.2928","0.0011","90","","90","","90","","2465.1","0.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Borbasa ERJ750","","","- C27 H30 N8 O2 -","- C27 H30 N8 O2 -","- C108 H120 N32 O8 -","4","1","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","x-ray","0.71073","MoKα","","0.0539","0.0455","","","0.1206","0.1299","","","","","","1.151","","","","has coordinates","283434","2023-05-05","03:10:21",""
"7159165","14.621","0.005","7.59","0.002","25.12","0.007","90","","99.705","0.01","90","","2747.8","1.4","294","2","294","2","","","","","","","","4","P 1 2 1","P 2y","3","ERJ-724","","","- C27 H31 N5 O4 -","- C27 H31 N5 O4 -","- C108 H124 N20 O16 -","4","2","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","x-ray","0.71073","MoKα","","0.1448","0.0804","","","0.1737","0.2046","","","","","","1.088","","","","has coordinates","283434","2023-05-05","03:10:21",""
"7159166","8.3506","0.0002","11.0548","0.0003","35.8931","0.0009","90","","90","","90","","3313.44","0.15","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-butyl (3R,5S)-3-(2-(4-chlorophenyl)-2-oxoethyl)-9-oxo-6,8-diphenyl-1-oxa-4,7,8-triazaspiro[4.4]non-6-ene-4-carboxylate","","- C30 H28 Cl N3 O5 -","- C30 H28 Cl N3 O5 -","- C120 H112 Cl4 N12 O20 -","4","1","","Gil-Ordóñez, Marta; Martín, Laura; Maestro, Alicia; Andrés, José M","Organocatalytic asymmetric synthesis of oxazolidino spiropyrazolinones <i>via N</i>,<i>O</i>-acetalization/aza Michael addition domino reaction between <i>N</i>-Boc pyrazolinone ketimines and γ-hydroxyenones.","Organic & biomolecular chemistry","2023","21","11","2361","2369","10.1039/d2ob02290g","","x-ray","1.54184","CuKα","","0.0599","0.0513","","","0.1406","0.156","","","","","","1.102","","","","has coordinates","283478","2023-05-05","03:24:28",""
"7159167","9.96","0.002","17.857","0.004","21.419","0.004","90","","90","","90","","3809.5","1.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H41 N3 O6 S -","- C41 H41 N3 O6 S -","- C164 H164 N12 O24 S4 -","4","1","","Asmari Bardazard, Kamal; Shahrestani, Naeimeh; Zamani, Amirhosein; Eskandari, Mehdi; Jadidi, Khosrow; Hamzehloueian, Mahshid; Notash, Behrouz","Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study.","Organic & biomolecular chemistry","2023","21","10","2143","2161","10.1039/d2ob02311c","","","0.71073","MoKα","","0.2341","0.0994","","","0.2476","0.2975","","","","","","0.857","","","","has coordinates","283433","2023-05-05","03:10:12",""
"7159168","10.491","0.002","11.952","0.002","29.973","0.006","90","","90","","90","","3758.3","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H43 N3 O5 S -","- C44 H43 N3 O5 S -","- C176 H172 N12 O20 S4 -","4","1","","Asmari Bardazard, Kamal; Shahrestani, Naeimeh; Zamani, Amirhosein; Eskandari, Mehdi; Jadidi, Khosrow; Hamzehloueian, Mahshid; Notash, Behrouz","Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study.","Organic & biomolecular chemistry","2023","21","10","2143","2161","10.1039/d2ob02311c","","","0.71073","MoKα","","0.1096","0.0767","","","0.1918","0.2294","","","","","","1.097","","","","has coordinates","283433","2023-05-05","03:10:12",""
"7159169","7.8568","0.0016","10.363","0.002","30.033","0.006","90","","90","","90","","2445.3","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O5 -","- C29 H24 N2 O5 -","- C116 H96 N8 O20 -","4","1","","Asmari Bardazard, Kamal; Shahrestani, Naeimeh; Zamani, Amirhosein; Eskandari, Mehdi; Jadidi, Khosrow; Hamzehloueian, Mahshid; Notash, Behrouz","Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study.","Organic & biomolecular chemistry","2023","21","10","2143","2161","10.1039/d2ob02311c","","","0.71073","MoKα","","0.1933","0.0761","","","0.1086","0.1365","","","","","","0.849","","","","has coordinates","283433","2023-05-05","03:10:12",""
"7159170","9.4049","0.0009","13.3896","0.0012","12.7634","0.0013","90","","91.507","0.004","90","","1606.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Halnor, Swapnil V.; Dhote, Pawan S.; Ramana, Chepuri V.","Construction of the quinobenzoxazine core <i>via</i> gold-catalyzed dual annulation of azide-tethered alkynones with anthranils.","Organic & biomolecular chemistry","2023","21","10","2127","2137","10.1039/d3ob00098b","","","0.71073","MoKα","","0.0464","0.043","","","0.1175","0.1209","","","","","","1.057","","","","has coordinates","283431","2023-05-05","03:09:56",""
"7159171","6.5182","0.0002","12.3029","0.0005","14.3881","0.0004","90","","90","","90","","1153.82","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-isopropyl-3-(p-tolyl)oxazolidin-2-one","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.","Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","9","1952","1957","10.1039/d2ob02122f","","x-ray","0.71073","MoKα","","0.0403","0.0366","","","0.085","0.0879","","","","","","1.048","","","","has coordinates","281600","2023-03-04","18:45:32",""
"7159172","6.2495","0.0002","12.573","0.0003","15.1106","0.0005","90","","90","","90","","1187.31","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-(tert-butyl)-3-phenyloxazolidin-2-one","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.","Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","9","1952","1957","10.1039/d2ob02122f","","x-ray","1.54184","CuKα","","0.0468","0.0405","","","0.0944","0.0969","","","","","","1.082","","","","has coordinates","281600","2023-03-04","18:45:32",""
"7159173","5.5304","0.0001","8.5314","0.0002","10.1412","0.0002","90","","93.371","0.002","90","","477.655","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3-(4-chlorophenyl)-4-methyloxazolidin-2-one","","- C10 H10 Cl N O2 -","- C10 H10 Cl N O2 -","- C20 H20 Cl2 N2 O4 -","2","1","","Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.","Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","9","1952","1957","10.1039/d2ob02122f","","x-ray","1.54184","CuKα","","0.0199","0.0197","","","0.0521","0.0523","","","","","","1.054","","","","has coordinates","281600","2023-03-04","18:45:32",""
"7159174","9.24","0.0001","15.0951","0.0002","16.2876","0.0002","68.441","0.001","87.775","0.001","85.825","0.001","2107.05","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Cl10 N3 O P Pd -","- C39 H32 Cl10 N3 O P Pd -","- C78 H64 Cl20 N6 O2 P2 Pd2 -","2","1","","Bulygina, Ludmila A.; Khrushcheva, Natalya S.; Nelyubina, Yulia V.; Dorovatovskii, Pavel; Strelkova, Tatiana V.; Alexeev, Michael S.; Mandegani, Zeinab; Nabavizadeh, S. Masoud; Kuznetsov, Nikolai Yu","Bilateral metalloheterocyclic systems based on palladacycle and piperidine-2,4-dione pharmacophores.","Organic & biomolecular chemistry","2023","21","11","2337","2354","10.1039/d3ob00022b","","","0.71073","MoKα","","0.0367","0.0296","","","0.0614","0.0643","","","","","","1.016","","","","has coordinates,has disorder","283472","2023-05-05","03:22:57",""
"7159175","10.923","0.002","11.87","0.002","15.665","0.003","96.22","0.03","101.71","0.03","113.13","0.03","1788.6","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H39 Cl N3 O3 P Pd -","- C42 H39 Cl N3 O3 P Pd -","- C84 H78 Cl2 N6 O6 P2 Pd2 -","2","1","","Bulygina, Ludmila A.; Khrushcheva, Natalya S.; Nelyubina, Yulia V.; Dorovatovskii, Pavel; Strelkova, Tatiana V.; Alexeev, Michael S.; Mandegani, Zeinab; Nabavizadeh, S. Masoud; Kuznetsov, Nikolai Yu","Bilateral metalloheterocyclic systems based on palladacycle and piperidine-2,4-dione pharmacophores.","Organic & biomolecular chemistry","2023","21","11","2337","2354","10.1039/d3ob00022b","","","0.745","synchrotron","","0.045","0.0337","","","0.0791","0.0849","","","","","","1.037","","","","has coordinates","283472","2023-05-05","03:22:57",""
"7159176","35.7466","0.0013","9.275","0.0003","26.6696","0.001","90","","127.87","0.001","90","","6980.2","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H29 Cl N3 O P Pd -","- C37 H29 Cl N3 O P Pd -","- C296 H232 Cl8 N24 O8 P8 Pd8 -","8","1","","Bulygina, Ludmila A.; Khrushcheva, Natalya S.; Nelyubina, Yulia V.; Dorovatovskii, Pavel; Strelkova, Tatiana V.; Alexeev, Michael S.; Mandegani, Zeinab; Nabavizadeh, S. Masoud; Kuznetsov, Nikolai Yu","Bilateral metalloheterocyclic systems based on palladacycle and piperidine-2,4-dione pharmacophores.","Organic & biomolecular chemistry","2023","21","11","2337","2354","10.1039/d3ob00022b","","","0.71073","MoKα","","0.0387","0.0364","","","0.0878","0.0889","","","","","","1.193","","","","has coordinates,has disorder","283472","2023-05-05","03:22:57",""
"7159177","9.7863","0.0009","10.1591","0.0009","12.62","0.0008","83.082","0.006","68.299","0.007","63.337","0.009","1040.23","0.18","249.97","0.1","249.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C46 H40 N4 O6 S2 -","2","1","","Wang, Ting; Wan, Yuyan; Xu, Mingyao; Wang, Yi; Hong, Xu-Jia; Gao, Hui; Zhou, Zhi; Yi, Wei; Zeng, Zhongyi","Regio- and stereospecific <i>cis</i>-hydrophenoxylation of ynamides with acidic phenols.","Organic & biomolecular chemistry","2023","21","15","3073","3078","10.1039/d3ob00082f","","x-ray","0.71073","MoKα","","0.0574","0.0428","","","0.1023","0.1109","","","","","","1.029","","","","has coordinates","283465","2023-05-05","03:21:05",""
"7159178","6.3673","0.0013","16.941","0.003","19.629","0.004","90","","90","","90","","2117.3","0.7","145","2","145","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 F N O2 -","- C25 H30 F N O2 -","- C100 H120 F4 N4 O8 -","4","1","","Manna, Utsab; Roy, Rajdip; Dutta, Abhishek; Roy, Nabanita","Phenylalanine conjugated supramolecular hydrogels developed from the mafenide and flurbiprofen multidrug for biological applications.","Organic & biomolecular chemistry","2023","21","11","2375","2389","10.1039/d2ob02300h","","","0.71073","MoKα","","0.2053","0.1653","","","0.3936","0.4309","","","","","","1.198","","","","has coordinates,has disorder","283479","2023-05-05","03:24:40",""
"7159179","5.588","0.009","8.349","0.013","17.87","0.03","77.93","0.04","87.12","0.04","85.92","0.04","813","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C40 H32 O10 -","2","1","","Chen, Liying; Di, Huiming; Liu, Jian; Zhang, Jinfeng; Wang, Bingfu; Jin, Hui; Zhang, Lixin","Access to functionalized 2-pyrones through cascade reactions of α-halothioesters involving DBU-derived ammonium ylides.","Organic & biomolecular chemistry","2023","21","18","3756","3760","10.1039/d3ob00042g","","","0.71073","MoKα","","0.1139","0.0587","","","0.1303","0.1632","","","","","","1.047","","","","has coordinates","284326","2023-06-05","04:56:38",""
"7159180","23.313","0.013","7.937","0.004","21.274","0.012","90","","90","","90","","3936","4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H19 Cl O4 S -","- C20 H19 Cl O4 S -","- C160 H152 Cl8 O32 S8 -","8","2","","Chen, Liying; Di, Huiming; Liu, Jian; Zhang, Jinfeng; Wang, Bingfu; Jin, Hui; Zhang, Lixin","Access to functionalized 2-pyrones through cascade reactions of α-halothioesters involving DBU-derived ammonium ylides.","Organic & biomolecular chemistry","2023","21","18","3756","3760","10.1039/d3ob00042g","","","0.71073","MoKα","","0.273","0.1163","","","0.179","0.2261","","","","","","1.047","","","","has coordinates","284326","2023-06-05","04:56:38",""
"7159181","13.57868","0.00007","5.12531","0.00003","17.35284","0.00009","90","","97.9746","0.0005","90","","1195.99","0.011","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C54 H66 N6 O10 -","2","1","","Jiang, Yaqin; Chen, Chunmei; Zhu, Hucheng; Li, Qin; Mao, Lina; Liao, Hong; Nan, Yiyang; Wang, Zhiping; Zhou, Hongjian; Zhou, Qun; Zhang, Yonghui","An indole diketopiperazine alkaloid and a bisabolane sesquiterpenoid with unprecedented skeletons from <i>Aspergillus fumigatus</i>.","Organic & biomolecular chemistry","2023","21","10","2236","2242","10.1039/d2ob02220f","","x-ray","1.54184","CuKα","","0.0272","0.0271","","","0.0713","0.0714","","","","","","1.048","","","","has coordinates","283430","2023-05-05","03:09:50",""
"7159182","12.28659","0.00003","13.35886","0.00003","16.12094","0.00004","90","","90","","90","","2646.01","0.011","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O7 -","- C28 H38 O7 -","- C112 H152 O28 -","4","1","","Watanabe, Yoshihiro; Takahashi, Shuhei; Ito, Sho; Tokiwa, Toshiyuki; Noguchi, Yoshihiko; Azami, Haruki; Kojima, Hiroki; Higo, Mayuka; Ban, Sayaka; Nagai, Kenichiro; Hirose, Tomoyasu; Sunazuka, Toshiaki; Yaguchi, Takashi; Nonaka, Kenichi; Iwatsuki, Masato","Hakuhybotrol, a polyketide produced by <i>Hypomyces pseudocorticiicola</i>, characterized with the assistance of 3D ED/MicroED.","Organic & biomolecular chemistry","2023","21","11","2320","2330","10.1039/d2ob02286a","","x-ray","1.54184","CuKα","","0.0256","0.0251","","","0.0654","0.0659","","","","","","1.027","","","","has coordinates","283474","2023-05-05","03:23:19",""
"7159183","12.69","0.13","13.47","0.13","16.8","0.4","90","","90","","90","","2872","8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O7 -","- C28 H38 O7 -","- C112 H152 O28 -","4","1","","Watanabe, Yoshihiro; Takahashi, Shuhei; Ito, Sho; Tokiwa, Toshiyuki; Noguchi, Yoshihiko; Azami, Haruki; Kojima, Hiroki; Higo, Mayuka; Ban, Sayaka; Nagai, Kenichiro; Hirose, Tomoyasu; Sunazuka, Toshiaki; Yaguchi, Takashi; Nonaka, Kenichi; Iwatsuki, Masato","Hakuhybotrol, a polyketide produced by <i>Hypomyces pseudocorticiicola</i>, characterized with the assistance of 3D ED/MicroED.","Organic & biomolecular chemistry","2023","21","11","2320","2330","10.1039/d2ob02286a","","electron","0.0251","200keVelectrons","","0.1938","0.1349","","","0.3044","0.3289","","","","","","1.612","","","","has coordinates","283474","2023-05-05","03:23:28",""
"7159184","9.389","0.0004","11.3607","0.0004","12.5465","0.0005","95.015","0.003","110.78","0.004","99.316","0.003","1219.41","0.09","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 O8 S -","- C27 H26 O8 S -","- C54 H52 O16 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0596","0.0456","","","0.1194","0.1269","","","","","","1.028","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159185","9.0321","0.0003","11.3249","0.0004","13.401","0.0003","104.302","0.002","90.43","0.002","112.768","0.003","1216.59","0.07","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 O9 S -","- C27 H26 O9 S -","- C54 H52 O18 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.051","0.0442","","","0.1211","0.1256","","","","","","1.054","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159186","7.8698","0.0002","8.091","0.0002","18.4031","0.0004","97.31","0.002","90.418","0.002","109.486","0.003","1094.16","0.05","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O8 S -","- C26 H22 O8 S -","- C52 H44 O16 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0457","0.0401","","","0.1012","0.1042","","","","","","1.046","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159187","8.8838","0.0003","10.0122","0.0003","18.2465","0.0007","79.86","0.003","82.812","0.003","68.624","0.003","1484.42","0.09","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 Cl3 O9 S -","- C29 H29 Cl3 O9 S -","- C58 H58 Cl6 O18 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0505","0.0436","","","0.1204","0.1248","","","","","","1.071","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159188","8.8679","0.0002","19.3858","0.0005","15.9313","0.0003","90","","95.21","0.002","90","","2727.46","0.11","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 O11 S -","- C29 H30 O11 S -","- C116 H120 O44 S4 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.053","0.0449","","","0.1152","0.1194","","","","","","1.04","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159189","8.9241","0.0003","19.544","0.0006","14.8371","0.0004","90","","99.093","0.002","90","","2555.26","0.14","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 F O10 S -","- C28 H27 F O10 S -","- C112 H108 F4 O40 S4 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0439","0.0385","","","0.1015","0.1043","","","","","","1.05","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159190","8.4568","0.0002","10.0048","0.0002","18.1713","0.0004","79.068","0.002","81.726","0.002","72.665","0.002","1434.7","0.06","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl3 F O9 S -","- C28 H26 Cl3 F O9 S -","- C56 H52 Cl6 F2 O18 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.0644","0.0592","","","0.1747","0.1797","","","","","","1.063","","","","has coordinates,has disorder","283476","2023-05-05","03:23:58",""
"7159191","8.4581","0.0002","12.4673","0.0003","13.9001","0.0003","114.802","0.002","99.369","0.002","91.662","0.002","1305.05","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 O8 S -","- C27 H26 O8 S -","- C54 H52 O16 S2 -","2","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.049","0.0418","","","0.1173","0.122","","","","","","1.092","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159192","21.9528","0.0008","12.0021","0.0005","12.5898","0.0005","90","","91.55","0.004","90","","3315.9","0.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 O11 S -","- C34 H40 O11 S -","- C136 H160 O44 S4 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi","One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.","Organic & biomolecular chemistry","2023","21","11","2405","2416","10.1039/d3ob00149k","","x-ray","0.71073","MoKα","","0.1074","0.0924","","","0.2411","0.2489","","","","","","1.091","","","","has coordinates","283476","2023-05-05","03:23:58",""
"7159193","12.3628","0.0008","8.7568","0.0005","17.477","0.0012","90","","109.33","0.007","90","","1785.4","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C88 H68 Cl4 N8 O8 -","4","1","","Mai, Jiexiong; Huang, Ziwei; Lv, Shaohuan; Chen, Quan; Chen, Rongrong; Xie, Feng; Wang, Jun; Li, Bin","Visible light-induced cascade <i>N</i>-alkylation/amidation reaction of quinazolin-4(3<i>H</i>)-ones and related N-heterocycles.","Organic & biomolecular chemistry","2023","21","11","2423","2428","10.1039/d2ob02226e","","x-ray","0.71073","MoKα","","0.0474","0.0387","","","0.0875","0.093","","","","","","1.101","","","","has coordinates","283477","2023-05-05","03:24:13",""
"7159194","7.6268","0.0005","9.3115","0.0007","24.2573","0.0018","90","","90","","90","","1722.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Br O3 S -","- C19 H13 Br O3 S -","- C76 H52 Br4 O12 S4 -","4","1","","Tamanna, ?; Sharma, Deepak; Chauhan, Pankaj","Asymmetric synthesis of spirocyclic isobenzofuranones <i>via</i> a squaramide-catalysed sulfa-Michael desymmetrisation reaction.","Organic & biomolecular chemistry","2023","21","12","2570","2574","10.1039/d3ob00126a","","","1.54178","CuKα","","0.0261","0.0252","","","0.0632","0.0641","","","","","","1.076","","","","has coordinates","283489","2023-05-05","03:28:46",""
"7159195","13.934","0.004","7.1249","0.0019","23.124","0.006","90","","102.776","0.008","90","","2238.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 N3 O5 -","- C27 H19 N3 O5 -","- C108 H76 N12 O20 -","4","1","","Ramkumar, Alagumalai; Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Gandhi, Thirumanavelan","Ruthenium(II)-catalyzed oxidative dehydrogenation and hydroarylation of maleimides with phthalazinones - insights into additive-controlled product selectivity.","Organic & biomolecular chemistry","2023","21","13","2695","2699","10.1039/d3ob00297g","","","0.71073","MoKα","","0.0549","0.0459","","","0.1107","0.1178","","","","","","0.943","","","","has coordinates","283447","2023-05-05","03:15:07",""
"7159196","10.4045","0.0009","8.869","0.0008","21.6415","0.0017","90","","102.176","0.002","90","","1952.1","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N3 O3 -","- C24 H17 N3 O3 -","- C96 H68 N12 O12 -","4","1","","Ramkumar, Alagumalai; Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Gandhi, Thirumanavelan","Ruthenium(II)-catalyzed oxidative dehydrogenation and hydroarylation of maleimides with phthalazinones - insights into additive-controlled product selectivity.","Organic & biomolecular chemistry","2023","21","13","2695","2699","10.1039/d3ob00297g","","","0.71073","MoKα","","0.1012","0.0501","","","0.1004","0.1224","","","","","","1.047","","","","has coordinates","283447","2023-05-05","03:15:09",""
"7159197","10.797","0.0005","11.7144","0.0005","17.2757","0.0007","109.155","0.004","106.362","0.004","90.359","0.004","1968.69","0.16","298.01","0.01","298.01","0.01","","","","","","","","5","P -1","-P 1","2","","","","- C45 H43 F N2 O -","- C45 H42 F N2 O -","- C90 H84 F2 N4 O2 -","2","1","","Singh, Gurdeep; Sharma, Sonam; Pandey, Rajat; Rekha, ?; Vijaya Anand, Ramasamy","Construction of heterocycle-fused tetrahydrocarbazoles through a formal [3 + 3]-annulation of 2-indolylmethanols with <i>para</i>-quinone methides.","Organic & biomolecular chemistry","2023","21","12","2493","2498","10.1039/d3ob00124e","","x-ray","0.71073","MoKα","","0.1393","0.0804","","","0.227","0.2817","","","","","","1.042","","","","has coordinates","283486","2023-05-05","03:28:05",""
"7159198","9.2987","0.0004","12.1896","0.0005","17.6436","0.0008","109.223","0.004","90.262","0.004","104.83","0.004","1816.78","0.15","298","0.1","298","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H43 Cl2 N O S -","- C41 H40 N O S -","- C82 H80 N2 O2 S2 -","2","1","","Singh, Gurdeep; Sharma, Sonam; Pandey, Rajat; Rekha, ?; Vijaya Anand, Ramasamy","Construction of heterocycle-fused tetrahydrocarbazoles through a formal [3 + 3]-annulation of 2-indolylmethanols with <i>para</i>-quinone methides.","Organic & biomolecular chemistry","2023","21","12","2493","2498","10.1039/d3ob00124e","","x-ray","0.71073","MoKα","","0.0754","0.0575","","","0.1586","0.1808","","","","","","1.064","","","","has coordinates","283486","2023-05-05","03:28:06",""
"7159199","10.9175","0.0003","10.7799","0.0003","29.2158","0.001","90","","91.629","0.003","90","","3437","0.18","298.01","0.01","298.01","0.01","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 N O2 S -","- C41 H40 N O2 S -","- C164 H160 N4 O8 S4 -","4","1","","Singh, Gurdeep; Sharma, Sonam; Pandey, Rajat; Rekha, ?; Vijaya Anand, Ramasamy","Construction of heterocycle-fused tetrahydrocarbazoles through a formal [3 + 3]-annulation of 2-indolylmethanols with <i>para</i>-quinone methides.","Organic & biomolecular chemistry","2023","21","12","2493","2498","10.1039/d3ob00124e","","x-ray","0.71073","MoKα","","0.1093","0.0656","","","0.18","0.2239","","","","","","1.026","","","","has coordinates","283486","2023-05-05","03:28:06",""
"7159200","6.3864","0.001","10.5866","0.0017","19.684","0.003","90","","90","","90","","1330.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(tert-butyl (S,E)-(6-hydroxy-2-methylhex-4-en-3-yl)carbamate)","(tert-butyl (S,E)-(6-hydroxy-2-methylhex-4-en-3-yl)carbamate)","","- C12 H23 N O3 -","- C12 H23 N O3 -","- C48 H92 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","1.54178","CuKα","","0.0572","0.0416","","","0.0791","0.0868","","","","","","1.062","","","","has coordinates","283485","2023-05-05","03:26:17",""
"7159201","11.178","0.007","21.505","0.013","6.138","0.004","90","","90","","90","","1475.5","1.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(tert-butyl (S,E)-(1-hydroxy-6-methylhept-2-en-4-yl)carbamate)","(tert-butyl (S,E)-(1-hydroxy-6-methylhept-2-en-4-yl)carbamate)","","- C13 H25 N O3 -","- C13 H25 N O3 -","- C52 H100 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1257","0.0942","","","0.2125","0.2317","","","","","","1.021","","","","has coordinates","283485","2023-05-05","03:26:27",""
"7159202","9.447","0.004","7.16","0.003","36.118","0.016","90","","90","","90","","2443","1.8","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","(ethyl (2E,4E)-6-((2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienamido)-6-methylhepta-2,4-dienoate)","(ethyl (2E,4E)-6-((2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienamido)-6-methylhepta-2,4-dienoate)","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C92 H144 N8 O20 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.0956","0.0652","","","0.1504","0.1664","","","","","","1.041","","","","has coordinates","283485","2023-05-05","03:26:38",""
"7159203","9.165","0.002","10.586","0.003","13.936","0.003","90.989","0.008","108.378","0.007","91.637","0.008","1282.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(tert-butyl (E)-(5-hydroxy-2-methylpent-3-en-2-yl)carbamate)","(tert-butyl (E)-(5-hydroxy-2-methylpent-3-en-2-yl)carbamate)","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C44 H84 N4 O12 -","4","2","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1417","0.0941","","","0.1383","0.1561","","","","","","1.152","","","","has coordinates","283485","2023-05-05","03:26:51",""
"7159204","10.171","0.004","11.307","0.004","18.203","0.006","83.781","0.008","78.945","0.008","69.533","0.008","1922.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(ethyl (S,2E,4E,6E)-8-((tert-butoxycarbonyl)amino)-9-methyldeca-2,4,6-trienoate)","(ethyl (S,2E,4E,6E)-8-((tert-butoxycarbonyl)amino)-9-methyldeca-2,4,6-trienoate)","","- C18 H29 N O4 -","- C18 H29 N O4 -","- C72 H116 N4 O16 -","4","2","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.2085","0.0681","","","0.1411","0.202","","","","","","0.919","","","","has coordinates","283485","2023-05-05","03:26:58",""
"7159205","35.93","0.05","5.117","0.008","10.707","0.016","90","","92.39","0.03","90","","1967","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","(ethyl (S,2E,4E)-6-((tert-butoxycarbonyl)amino)-7-phenylhepta-2,4-dienoate)","(ethyl (S,2E,4E)-6-((tert-butoxycarbonyl)amino)-7-phenylhepta-2,4-dienoate)","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C80 H108 N4 O16 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.0863","0.0522","","","0.1352","0.1641","","","","","","0.679","","","","has coordinates","283485","2023-05-05","03:27:01",""
"7159206","6.061","0.002","12.023","0.004","21.699","0.007","90","","90","","90","","1581.2","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(tert-butyl (S,E)-(5-hydroxy-1-phenylpent-3-en-2-yl)carbamate)","(tert-butyl (S,E)-(5-hydroxy-1-phenylpent-3-en-2-yl)carbamate)","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1372","0.0865","","","0.0657","0.0679","","","","","","1.94","","","","has coordinates","283485","2023-05-05","03:27:01",""
"7159207","6.5455","0.0012","9.445","0.002","19.264","0.004","90","","90","","90","","1190.9","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(tert-butyl (S,E)-(5-hydroxypent-3-en-2-yl)carbamate)","(tert-butyl (S,E)-(5-hydroxypent-3-en-2-yl)carbamate)","","- C10 H19 N O3 -","- C10 H19 N O3 -","- C40 H76 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.0412","0.0352","","","0.0781","0.0807","","","","","","0.995","","","","has coordinates","283485","2023-05-05","03:27:03",""
"7159208","9.88","0.003","20.895","0.007","18.293","0.006","90","","105.188","0.01","90","","3645","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ethyl (2E,4E,6E)-8-((tert-butoxycarbonyl)amino)-8-methylnona-2,4,6-trienoate)","(ethyl (2E,4E,6E)-8-((tert-butoxycarbonyl)amino)-8-methylnona-2,4,6-trienoate)","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C136 H216 N8 O32 -","8","2","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.14","0.0619","","","0.1811","0.2553","","","","","","0.726","","","","has coordinates","283485","2023-05-05","03:27:06",""
"7159209","9.1906","0.0018","18.987","0.004","9.7142","0.0016","90","","100.338","0.006","90","","1667.6","0.6","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","(ethyl (2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienoate)","(ethyl (2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienoate)","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C60 H100 N4 O16 -","4","2","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1649","0.0866","","","0.1342","0.1628","","","","","","1.019","","","","has coordinates","283485","2023-05-05","03:27:09",""
"7159210","4.2745","0.0002","16.1974","0.0007","23.4885","0.0011","106.784","0.002","92.454","0.002","95.446","0.002","1545.73","0.12","130","","130","","","","","","","","","6","P -1","-P 1","2","","Copper di-[5-(2-methoxyethoxy)methyl)pyridine-2-thiolate-N-oxide]","","- C18 H24 Cu N2 O6 S2 -","- C18 H24 Cu N2 O6 S2 -","- C54 H72 Cu3 N6 O18 S6 -","3","1.5","","Mishra, Atreyee; Djoko, Karrera Y.; Lee, Yi-Hsuan; Lord, Rianne M.; Kaul, Grace; Akhir, Abdul; Saxena, Deepanshi; Chopra, Sidharth; Walton, James W.","Water-soluble copper pyrithione complexes with cytotoxic and antibacterial activity.","Organic & biomolecular chemistry","2023","21","12","2539","2544","10.1039/d2ob01224c","","x-ray","0.71073","MoKα","","0.0557","0.0399","","","0.0694","0.074","","","","","","1.04","","","","has coordinates","283482","2023-05-05","03:25:34",""
"7159211","7.0036","0.0014","9.714","0.002","16.46","0.003","80.825","0.009","87.6","0.011","76.487","0.014","1074.9","0.4","296","2","296","2","","","","","","","","3","P 1","P 1","1","glucominiotone A","","","- C18 H22 O10 -","- C18 H22 O10 -","- C36 H44 O20 -","2","2","","Yang, Sui-Qun; Song, Qi; Li, Xiao-Ming; Li, Xin; Li, Hong-Lei; Meng, Ling-Hong; Wang, Bin-Gui","Antimicrobial polyketides and sesquiterpene lactones from the deep-sea cold-seep-derived fungus <i>Talaromyces minioluteus</i> CS-113 triggered by the histone deacetylase inhibitor SAHA.","Organic & biomolecular chemistry","2023","21","12","2575","2585","10.1039/d3ob00058c","","","1.54178","CuKα","","0.0645","0.0586","","","0.1723","0.1817","","","","","","1.024","","","","has coordinates","283481","2023-05-05","03:25:08",""
"7159212","6.671","0.0002","16.5087","0.0005","18.4122","0.0005","90","","90","","90","","2027.73","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glucominiotone B","","","- C19 H22 O9 -","- C19 H22 O9 -","- C76 H88 O36 -","4","1","","Yang, Sui-Qun; Song, Qi; Li, Xiao-Ming; Li, Xin; Li, Hong-Lei; Meng, Ling-Hong; Wang, Bin-Gui","Antimicrobial polyketides and sesquiterpene lactones from the deep-sea cold-seep-derived fungus <i>Talaromyces minioluteus</i> CS-113 triggered by the histone deacetylase inhibitor SAHA.","Organic & biomolecular chemistry","2023","21","12","2575","2585","10.1039/d3ob00058c","","","1.54178","CuKα","","0.0584","0.0557","","","0.1428","0.1449","","","","","","1.073","","","","has coordinates","283481","2023-05-05","03:25:18",""
"7159213","10.147","0.0003","12.3817","0.0003","18.7861","0.0005","90","","90","","90","","2360.23","0.11","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","miniluteumide E","1","","- C22 H35 N O8 -","- C22 H35 N O8 -","- C88 H140 N4 O32 -","4","1","","Yang, Sui-Qun; Song, Qi; Li, Xiao-Ming; Li, Xin; Li, Hong-Lei; Meng, Ling-Hong; Wang, Bin-Gui","Antimicrobial polyketides and sesquiterpene lactones from the deep-sea cold-seep-derived fungus <i>Talaromyces minioluteus</i> CS-113 triggered by the histone deacetylase inhibitor SAHA.","Organic & biomolecular chemistry","2023","21","12","2575","2585","10.1039/d3ob00058c","","x-ray","1.54184","CuKα","","0.0497","0.0417","","","0.1004","0.1086","","","","","","1.069","","","","has coordinates","283481","2023-05-05","03:25:19",""
"7159214","11.3845","0.0001","16.8992","0.0001","8.1309","0.0001","90","","92.673","0.001","90","","1562.59","0.03","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1","","- C21 H12 F N S -","- C21 H12 F N S -","- C84 H48 F4 N4 S4 -","4","1","","Gao, Yong; Hua, Ruirui; Yin, Hongquan; Chen, Fu-Xue","Synthesis of thiocyanato-containing phenanthrenes and dihydronaphthalenes <i>via</i> Lewis acid-activated tandem electrophilic thiocyanation/carbocyclization of alkynes.","Organic & biomolecular chemistry","2023","21","11","2417","2422","10.1039/d3ob00001j","","x-ray","1.54184","CuKα","","0.0365","0.0346","","","0.093","0.0945","","","","","","1.052","","","","has coordinates","283475","2023-05-05","03:23:41",""
"7159215","6.36191","0.00004","11.81085","0.00007","18.04153","0.00008","93.4492","0.0004","95.0225","0.0004","103.052","0.0005","1311.07","0.013","100","0.11","100","0.11","","","","","","","","4","P 1","P 1","1","","","","- C54 H88.25 O9.25 Si2 -","- C54 H88.25 O9.25 Si2 -","- C54 H88.25 O9.25 Si2 -","1","1","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0488","0.0476","","","0.1095","0.1105","","","","","","1.029","","","","has coordinates,has disorder","283466","2023-05-05","03:21:25",""
"7159216","29.0654","0.0011","6.1584","0.0001","13.8163","0.0005","90","","129.016","0.006","90","","1921.5","0.19","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0408","0.038","","","0.0973","0.0993","","","","","","1.02","","","","has coordinates","283466","2023-05-05","03:21:27",""
"7159217","6.3839","0.0001","11.7026","0.0002","17.9956","0.0002","92.243","0.001","92.111","0.001","102.967","0.002","1307.69","0.04","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H44 O3 Si -","- C27 H44 O3 Si -","- C54 H88 O6 Si2 -","2","2","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0623","0.0601","","","0.1445","0.1457","","","","","","1.079","","","","has coordinates","283466","2023-05-05","03:21:37",""
"7159218","7.5237","0.0001","22.9939","0.0002","9.7103","0.0001","90","","90.13","0.001","90","","1679.87","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","2","","Offei, Samuel D.; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of menarandroside A from dehydroepiandrosterone.","Organic & biomolecular chemistry","2023","21","15","3172","3176","10.1039/d3ob00054k","","x-ray","1.54184","CuKα","","0.0433","0.0422","","","0.1129","0.1143","","","","","","1.095","","","","has coordinates","283466","2023-05-05","03:21:37",""
"7159219","11.578","0.006","10.373","0.005","13.434","0.006","90","","92.346","0.009","90","","1612.1","1.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Liu, Donghan; Song, Siyu; Chen, Longkun; Zhang, Mingshuai; Liu, Zhuoyuan; Lu, Xihang; Huang, Jiuzhong; Yu, Fuchao","Access to thiionized-, selenolized-, and alkylated 5-alkylidene 3-pyrrolin-2-one derivatives <i>via</i> a regioselective oxidative annulation reaction.","Organic & biomolecular chemistry","2023","21","12","2596","2602","10.1039/d3ob00014a","","","0.71073","MoKα","","0.1652","0.0807","","","0.1832","0.2296","","","","","","0.972","","","","has coordinates","283487","2023-05-05","03:28:20",""
"7159220","11.2145","0.0017","22.855","0.004","9.3203","0.0014","90","","105.549","0.003","90","","2301.4","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 O S -","- C27 H26 N2 O S -","- C108 H104 N8 O4 S4 -","4","1","","Liu, Donghan; Song, Siyu; Chen, Longkun; Zhang, Mingshuai; Liu, Zhuoyuan; Lu, Xihang; Huang, Jiuzhong; Yu, Fuchao","Access to thiionized-, selenolized-, and alkylated 5-alkylidene 3-pyrrolin-2-one derivatives <i>via</i> a regioselective oxidative annulation reaction.","Organic & biomolecular chemistry","2023","21","12","2596","2602","10.1039/d3ob00014a","","","0.71073","MoKα","","0.1013","0.0552","","","0.1101","0.1301","","","","","","1.043","","","","has coordinates","283487","2023-05-05","03:28:20",""
"7159221","32.974","0.007","9.249","0.0018","15.64","0.003","90","","91.554","0.004","90","","4768.1","1.6","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C184 H192 N16 O16 -","8","1","","Liu, Donghan; Song, Siyu; Chen, Longkun; Zhang, Mingshuai; Liu, Zhuoyuan; Lu, Xihang; Huang, Jiuzhong; Yu, Fuchao","Access to thiionized-, selenolized-, and alkylated 5-alkylidene 3-pyrrolin-2-one derivatives <i>via</i> a regioselective oxidative annulation reaction.","Organic & biomolecular chemistry","2023","21","12","2596","2602","10.1039/d3ob00014a","","","0.71073","MoKα","","0.1619","0.0876","","","0.2455","0.2864","","","","","","1.03","","","","has coordinates","283487","2023-05-05","03:28:20",""
"7159222","19.5971","0.0013","7.6234","0.0005","19.6148","0.0013","90","","100.404","0.002","90","","2882.2","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","2","","Banda, Saikumar; Villinger, Alexander; Brasholz, Malte","Synthesis of azepane-fused pyrano[3,2-<i>b</i>]indoles by Lewis acid-catalysed oxa Diels-Alder reactions.","Organic & biomolecular chemistry","2023","21","21","4379","4381","10.1039/d3ob00234a","","","0.71073","MoKα","","0.072","0.0594","","","0.1469","0.1543","","","","","","1.065","","","","has coordinates","284335","2023-06-05","04:57:50",""
"7159223","11.38512","0.00006","9.48447","0.00004","15.80604","0.00008","90","","110.665","0.0006","90","","1596.95","0.015","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","2","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0276","0.0275","","","0.073","0.0731","","","","","","1.04","","","","has coordinates","283448","2023-05-05","03:15:28",""
"7159224","7.48251","0.00007","8.97191","0.00013","13.67021","0.00019","107.801","0.0013","96.7797","0.0009","98.0759","0.001","852.4","0.02","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C42 H40 N4 O8 -","2","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0389","0.0377","","","0.1038","0.1049","","","","","","1.034","","","","has coordinates","283448","2023-05-05","03:15:38",""
"7159225","8.16824","0.00005","16.10854","0.00012","13.62304","0.00008","90","","91.7049","0.0006","90","","1791.7","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0368","0.0359","","","0.0922","0.0929","","","","","","1.048","","","","has coordinates","283448","2023-05-05","03:15:41",""
"7159226","11.68226","0.00012","9.54123","0.00006","15.99352","0.00016","90","","110.869","0.0011","90","","1665.73","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","2","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0548","0.0548","","","0.1411","0.1412","","","","","","1.067","","","","has coordinates","283448","2023-05-05","03:15:50",""
"7159227","22.38682","0.00016","12.13681","0.00009","13.54889","0.00007","90","","93.0248","0.0006","90","","3676.17","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H25 N2 O3.5 -","- C21.5 H25 N2 O3.5 -","- C172 H200 N16 O28 -","8","2","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0749","0.0718","","","0.2347","0.238","","","","","","1.187","","","","has coordinates","283448","2023-05-05","03:16:00",""
"7159228","8.48626","0.00008","24.4487","0.0002","12.18602","0.00009","90","","102.129","0.0008","90","","2471.89","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N4 O3 -","- C28 H34 N4 O3 -","- C112 H136 N16 O12 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0416","0.0399","","","0.1035","0.1048","","","","","","1.076","","","","has coordinates","283448","2023-05-05","03:16:13",""
"7159229","18.1847","0.0002","9.88774","0.00011","27.3603","0.0004","90","","106.553","0.0013","90","","4715.65","0.11","99.98","0.1","99.98","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C200 H192 N32 O16 -","8","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0577","0.0563","","","0.1405","0.1413","","","","","","1.092","","","","has coordinates","283448","2023-05-05","03:16:24",""
"7159230","28.2772","0.001","11.1135","0.0009","7.9823","0.0003","90","","90.234","0.004","90","","2508.5","0.2","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26 H26 N4 O5 -","- C24 H20 N4 O4 -","- C96 H80 N16 O16 -","4","1","","Fares, Mohamed; Wu, Xin; McNaughton, Daniel A.; Gilchrist, Alexander M.; Lewis, William; Keller, Paul A.; Arias-Betancur, Alain; Fontova, Pere; Pérez-Tomás, Ricardo; Gale, Philip A.","A potent fluorescent transmembrane HCl transporter perturbs cellular pH and promotes cancer cell death.","Organic & biomolecular chemistry","2023","21","12","2509","2515","10.1039/d3ob00128h","","x-ray","1.54184","CuKα","K-L~2,3~","0.1531","0.0661","","","0.1579","0.2088","","","","","","0.931","","","","has coordinates,has disorder","283488","2023-05-05","03:28:28",""
"7159231","19.32005","0.00012","5.34244","0.00002","11.81711","0.00004","90","","98.3058","0.0004","90","","1206.92","0.01","173","0.1","173","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H26 N10 O14 -","- C18 H26 N10 O14 -","- C36 H52 N20 O28 -","2","0.5","","Takemura, Hirohide; Choi, Jae-Hoon; Fushimi, Keiji; Narikawa, Rei; Wu, Jing; Kondo, Mitsuru; Nelson, David C.; Suzuki, Tomohiro; Ouchi, Hitoshi; Inai, Makoto; Hirai, Hirofumi; Kawagishi, Hirokazu","Role of hypoxanthine-guanine phosphoribosyltransferase in the metabolism of fairy chemicals in rice.","Organic & biomolecular chemistry","2023","21","12","2556","2561","10.1039/d3ob00026e","","x-ray","1.54184","CuKα","","0.0288","0.0288","","","0.0784","0.0784","","","","","","1.064","","","","has coordinates","283484","2023-05-05","03:25:57",""
"7159232","6.6858","0.0004","26.274","0.0017","11.3518","0.0007","90","","102.219","0.003","90","","1948.9","0.2","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H52 N4 O6 -","- C29 H52 N4 O6 -","- C58 H104 N8 O12 -","2","1","","Singh, Hanuman; Pragya, Pragya; Mittal, Aditya; Haridas, V.","Pseudopeptosomes: non-lipidated vesicular assemblies from bispidine-appended pseudopeptides.","Organic & biomolecular chemistry","2023","21","17","3557","3566","10.1039/d3ob00201b","","","0.71073","MoKα","","0.1138","0.0505","","","0.1282","0.1644","","","","","","0.9893","","","","has coordinates","283438","2023-05-05","03:11:34",""
"7159233","13.65","0.013","9.887","0.01","15.827","0.016","90","","112.53","0.03","90","","1973","3","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H52 N6 O7 -","- C39 H52 N6 O7 -","- C78 H104 N12 O14 -","2","1","","Singh, Hanuman; Pragya, Pragya; Mittal, Aditya; Haridas, V.","Pseudopeptosomes: non-lipidated vesicular assemblies from bispidine-appended pseudopeptides.","Organic & biomolecular chemistry","2023","21","17","3557","3566","10.1039/d3ob00201b","","","0.71073","MoKα","","0.1539","0.0736","","","0.1508","0.1957","","","","","","1.0396","","","","has coordinates","283438","2023-05-05","03:11:34",""
"7159234","29.297","0.006","8.32","0.0017","18.92","0.004","90","","115.25","0.03","90","","4171.1","1.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N2 O8 -","- C24 H18 N2 O8 -","- C192 H144 N16 O64 -","8","1","","Shahedi, Mansour; Omidi, Niloofar; Habibi, Zohreh; Yousefi, Maryam; Brask, Jesper; Notash, Behrouz; Mohammadi, Mehdi","Biocatalytic stereoselective synthesis of pyrrolidine-2,3-diones containing all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","13","2742","2747","10.1039/d2ob02294j","","","0.71073","MoKα","","0.1129","0.0647","","","0.1332","0.1501","","","","","","1.025","","","","has coordinates","283449","2023-05-05","03:16:36",""
"7159235","19.6578","0.001","7.7477","0.0003","20.2282","0.0009","90","","108.834","0.006","90","","2915.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 N5 O -","- C16 H11 N5 O -","- C128 H88 N40 O8 -","8","1","","Neethu, K. M.; Nag, Kritika; Dar, Arif Hassan; Bajaj, Ashima; Gopal, S. Arya; Gowri, Vijayendran; Nagpure, Mithilesh; Sartaliya, Shaifali; Sharma, Raina; Solanki, Arun Kumar; Ehesan Ali, Md; Muthukrishnan, Azhagumuthu; Jayamurugan, Govindasamy","A study of [2 + 2] cycloaddition-retroelectrocyclization in water: observation of substrate-driven transient-nanoreactor-induced new reactivity.","Organic & biomolecular chemistry","2023","21","14","2922","2929","10.1039/d3ob00053b","","x-ray","0.71073","MoKα","","0.0648","0.0474","","","0.1208","0.1321","","","","","","1.056","","","","has coordinates","283459","2023-05-05","03:19:14",""
"7159236","11.586","0.001","9.123","0.001","15.33","0.001","90","","91.12","0.01","90","","1620.1","0.2","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cl2 N4 -","- C18 H14 Cl2 N4 -","- C72 H56 Cl8 N16 -","4","0.5","","Gugulothu, Kishan; Jatoth, Ramanna; Edukondalu, Peramalla; Vanga, Anusha; Matta, Raghavender; Shiva Kumar, K.","Synthesis of fused bis-indazoles/indazoles <i>via</i> a one-pot sequential strategy.","Organic & biomolecular chemistry","2023","21","13","2816","2821","10.1039/d3ob00121k","","","0.71073","MoKα","","0.0418","0.0371","","","0.1282","0.137","","","","","","0.989","","","","has coordinates","283453","2023-05-05","03:17:54",""
"7159237","17.887","0.003","10.805","0.001","15.51","0.001","90","","113.27","0.01","90","","2753.8","0.6","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N4 -","- C17 H14 N4 -","- C136 H112 N32 -","8","2","","Gugulothu, Kishan; Jatoth, Ramanna; Edukondalu, Peramalla; Vanga, Anusha; Matta, Raghavender; Shiva Kumar, K.","Synthesis of fused bis-indazoles/indazoles <i>via</i> a one-pot sequential strategy.","Organic & biomolecular chemistry","2023","21","13","2816","2821","10.1039/d3ob00121k","","","0.71073","MoKα","","0.0975","0.0529","","","0.1423","0.1811","","","","","","1.005","","","","has coordinates","283453","2023-05-05","03:17:57",""
"7159238","12.637","0.001","14.143","0.001","9.403","0.001","90","","122.24","0.01","90","","1421.4","0.3","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N4 -","- C18 H16 N4 -","- C72 H64 N16 -","4","0.5","","Gugulothu, Kishan; Jatoth, Ramanna; Edukondalu, Peramalla; Vanga, Anusha; Matta, Raghavender; Shiva Kumar, K.","Synthesis of fused bis-indazoles/indazoles <i>via</i> a one-pot sequential strategy.","Organic & biomolecular chemistry","2023","21","13","2816","2821","10.1039/d3ob00121k","","","0.71073","MoKα","","0.0628","0.0428","","","0.1237","0.1441","","","","","","0.965","","","","has coordinates","283453","2023-05-05","03:18:09",""
"7159239","9.9448","0.0006","10.8509","0.0006","12.3306","0.0007","92.569","0.002","104.348","0.002","96.07","0.002","1278.38","0.13","297","2","297","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 Cl O4 -","- C29 H29 Cl O4 -","- C58 H58 Cl2 O8 -","2","1","","Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa","Addition of sulfonylphthalides to <i>para</i>-quinone methides: Selective 1,6-additions and oxidative annulations.","Organic & biomolecular chemistry","2023","21","12","2504","2508","10.1039/d2ob02134j","","","0.71073","MoKα","","0.0707","0.0533","","","0.1215","0.1355","","","","","","1.027","","","","has coordinates","283483","2023-05-05","03:25:44",""
"7159240","9.895","0.002","10.862","0.002","12.428","0.003","92.652","0.006","104.732","0.006","95.795","0.006","1281.6","0.5","299","2","299","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O4 -","- C30 H32 O4 -","- C60 H64 O8 -","2","1","","Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa","Addition of sulfonylphthalides to <i>para</i>-quinone methides: Selective 1,6-additions and oxidative annulations.","Organic & biomolecular chemistry","2023","21","12","2504","2508","10.1039/d2ob02134j","","","0.71073","MoKα","","0.0953","0.0686","","","0.1388","0.1579","","","","","","1.103","","","","has coordinates","283483","2023-05-05","03:25:44",""
"7159241","11.4676","0.0018","23.735","0.004","24.998","0.003","90","","92.236","0.003","90","","6798.9","1.8","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl O5 S -","- C284 H292 Cl8 O44 S8 -","- C284 H292 Cl8 O44 S8 -","1","0.25","","Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa","Addition of sulfonylphthalides to <i>para</i>-quinone methides: Selective 1,6-additions and oxidative annulations.","Organic & biomolecular chemistry","2023","21","12","2504","2508","10.1039/d2ob02134j","","","0.71073","MoKα","","0.0813","0.0546","","","0.1433","0.164","","","","","","1.016","","","","has coordinates","283483","2023-05-05","03:25:44",""
"7159242","9.2573","0.0002","17.7086","0.0004","17.8309","0.0004","90","","90","","90","","2923.09","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 N O2 P -","- C34 H34 N O2 P -","- C136 H136 N4 O8 P4 -","4","1","","Mino, Takashi; Takaya, Kaho; Koki, Kaito; Akimoto, Natsume; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Axially chiral <i>N</i>-alkyl-<i>N</i>-cinnamoyl amide type P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2023","21","13","2775","2778","10.1039/d3ob00224a","","","1.54178","CuKα","","0.0432","0.0418","","","0.1079","0.1117","","","","","","0.822","","","","has coordinates","283452","2023-05-05","03:17:37",""
"7159243","7.0037","0.0005","8.0678","0.0004","16.6349","0.001","96.374","0.005","91.813","0.006","107.232","0.006","890.14","0.1","100","0.17","100","0.17","","","","","","","","5","P -1","-P 1","2","","ethyl 4-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate","","- C20 H17 F N2 O4 -","- C20 H17 F N2 O4 -","- C40 H34 F2 N4 O8 -","2","1","","Galenko, Ekaterina E.; Zanakhov, Timur O.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Metal carbonyl mediated rearrangement of 5-(2-oxoalkyl)-1,2,4-oxadiazoles: synthesis of fully substituted pyrimidines.","Organic & biomolecular chemistry","2023","21","14","2990","3001","10.1039/d3ob00148b","","x-ray","1.54184","CuKα","","0.0628","0.0525","","","0.1404","0.1527","","","","","","1.053","","","","has coordinates,has disorder","283458","2023-05-05","03:19:07",""
"7159244","16.0365","0.0003","7.7481","0.0001","20.9647","0.0004","90","","107.459","0.002","90","","2484.91","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 2-phenyl-4-(phenyl(pyridin-2-yl)amino)-6-(p-tolyl)pyrimidine-5-carboxylate","","- C31 H26 N4 O2 -","- C31 H26 N4 O2 -","- C124 H104 N16 O8 -","4","1","","Galenko, Ekaterina E.; Zanakhov, Timur O.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Metal carbonyl mediated rearrangement of 5-(2-oxoalkyl)-1,2,4-oxadiazoles: synthesis of fully substituted pyrimidines.","Organic & biomolecular chemistry","2023","21","14","2990","3001","10.1039/d3ob00148b","","x-ray","1.54184","CuKα","","0.0568","0.0485","","","0.1155","0.12","","","","","","1.041","","","","has coordinates","283458","2023-05-05","03:19:07",""
"7159245","7.6114","0.0004","15.1521","0.0007","21.9238","0.0011","90","","90","","90","","2528.4","0.2","200","1","200","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C112 H104 Cl8 N16 O16 -","8","1","","Beghennou, Anissa; Gontard, Geoffrey; Dossmann, Héloïse; Passador, Kévin; Thorimbert, Serge; Corcé, Vincent; Botuha, Candice","1,6-Naphthyridin-7(6<i>H</i>)-ones: synthesis and optical properties.","Organic & biomolecular chemistry","2023","21","14","2976","2982","10.1039/d3ob00081h","","","1.54178","CuKα","","0.0353","0.0311","","","0.085","0.0881","","","","","","1.049","","","","has coordinates","283454","2023-05-05","03:18:17",""
"7159246","9.711","0.0001","8.912","0.0001","20.7791","0.0002","90","","99.215","0.001","90","","1775.11","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((2,5-dioxo-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino)benzoic acid","","- C19 H18 N2 O5 S -","- C19 H18 N2 O5 S -","- C76 H72 N8 O20 S4 -","4","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Ganusenko, Daniil D.; Kurenkov, Igor A.; Leontiev, Alexander V.; Aksenov, Alexander V.","Synthesis of 2-carboxyaniline-substituted maleimides from 2'-nitrochalcones.","Organic & biomolecular chemistry","2023","21","15","3156","3166","10.1039/d3ob00197k","","x-ray","1.54184","synchrotron","","0.0403","0.0393","","","0.1051","0.1059","","","","","","1.039","","","","has coordinates","283462","2023-05-05","03:19:57",""
"7159247","9.8033","0.0006","19.8092","0.0009","9.7119","0.0007","90","","114.003","0.008","90","","1722.9","0.2","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O4 S -","- C18 H26 O4 S -","- C72 H104 O16 S4 -","4","1","","Lu, Wen-Hua; Yang, Dan; Wang, Guo-Qin; Wang, Ting; Zhou, Yuan-Xia; Jing, Lin-Hai","Photocatalytic synthesis of alkyl-alkyl sulfones <i>via</i> direct C(sp<sup>3</sup>)-H bond functionalization.","Organic & biomolecular chemistry","2023","21","13","2822","2827","10.1039/d3ob00276d","","x-ray","0.71073","MoKα","","0.0633","0.0461","","","0.1097","0.1239","","","","","","1.047","","","","has coordinates","283446","2023-05-05","03:14:53",""
"7159248","4.7826","0.0009","16.631","0.003","19.594","0.002","90","","90.09","0.01","90","","1558.5","0.4","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N4 O -","- C16 H14 Cl2 N4 O -","- C64 H56 Cl8 N16 O4 -","4","1","","Lu, Changtong; Histand, Gary; Lin, Dongen","Visible light-induced direct alkylation of the purine C<sub>8</sub>-H bond with ethers.","Organic & biomolecular chemistry","2023","21","15","3167","3171","10.1039/d3ob00147d","","x-ray","1.54184","CuKα","","0.0853","0.0796","","","0.2037","0.2175","","","","","","1.029","","","","has coordinates,has disorder","283467","2023-05-05","03:21:44",""
"7159249","27.34","0.004","5.3646","0.0006","10.6018","0.0013","90","","94.192","0.012","90","","1550.8","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Zhang, Zhang; Wang, Ying-Chun; Tang, Hai-Tao; Pan, Ying-Ming; Meng, Xiu-Jin","Electrocatalytic ring-opening dihydroalkoxylation of <i>N</i>-aryl maleimides with alcohols under metal- and oxidant-free conditions.","Organic & biomolecular chemistry","2023","21","15","3177","3182","10.1039/d3ob00178d","","x-ray","1.54184","CuKα","","0.1369","0.1125","","","0.2955","0.3212","","","","","","1.217","","","","has coordinates","283463","2023-05-05","03:20:18",""
"7159250","10.24","0.007","8.487","0.005","13.274","0.009","90","","107.29","0.04","90","","1101.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cu2 N4 O10 -","- C14 H28 Cu2 N4 O10 -","- C28 H56 Cu4 N8 O20 -","2","0.5","","Saikia, Rakhee; Das, Sanghamitra; Almin, Arzu; Mahanta, Abhijit; Sarma, Bipul; Thakur, Ashim J.; Bora, Utpal","<i>N</i>,<i>N</i>'-Dimethylurea as an efficient ligand for the synthesis of pharma-relevant motifs through Chan-Lam cross-coupling strategy.","Organic & biomolecular chemistry","2023","21","15","3143","3155","10.1039/d3ob00176h","","","0.71073","MoKα","","0.0814","0.0453","","","0.0811","0.0878","","","","","","0.852","","","","has coordinates","283464","2023-05-05","03:20:33",""
"7159251","15.9417","0.0014","7.4061","0.0008","12.3726","0.0014","90","","107.42","0.011","90","","1393.8","0.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O Se -","- C16 H15 N O Se -","- C64 H60 N4 O4 Se4 -","4","1","","Li, Bin; Hu, Mingli; Ge, Jun; Xu, Wei; Wu, Jinghan; Tong, Yao; Zhao, Zhengyi; Liu, Xiuxiu; He, Ling","Regioselective C-H chalcogenylation and halogenation of arenes and alkenes under metal-free conditions.","Organic & biomolecular chemistry","2023","21","14","2910","2916","10.1039/d3ob00150d","","x-ray","0.71073","MoKα","","0.0937","0.0472","","","0.0877","0.1057","","","","","","1.013","","","","has coordinates","283455","2023-05-05","03:18:24",""
"7159252","7.588","0.004","13.617","0.008","14.984","0.009","67.863","0.017","80.098","0.017","77.161","0.016","1391.6","1.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Br N2 O2 -","- C15 H15 Br N2 O2 -","- C60 H60 Br4 N8 O8 -","4","2","","Roy, Naveen J.; Pujari, Parappa L.; Talukdar, Pinaki","Bimodal structural tuning of pyrrole-2-carboxamide-based transmembrane ion transport systems.","Organic & biomolecular chemistry","2023","21","16","3323","3329","10.1039/d3ob00269a","","","0.71073","MoKα","","0.1174","0.0509","","","0.1003","0.1196","","","","","","0.963","","","","has coordinates","283441","2023-05-05","03:13:37",""
"7159253","7.5114","0.0014","23.535","0.004","18.064","0.003","90","","90.01","0.01","90","","3193.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Br Cl N3 O2 -","- C31 H51 Br Cl N3 O2 -","- C124 H204 Br4 Cl4 N12 O8 -","4","1","","Roy, Naveen J.; Pujari, Parappa L.; Talukdar, Pinaki","Bimodal structural tuning of pyrrole-2-carboxamide-based transmembrane ion transport systems.","Organic & biomolecular chemistry","2023","21","16","3323","3329","10.1039/d3ob00269a","","","0.71073","MoKα","","0.1339","0.0842","","","0.1778","0.2097","","","","","","1.082","","","","has coordinates,has disorder","283441","2023-05-05","03:13:47",""
"7159254","18.0917","0.0006","12.0597","0.0005","35.4251","0.001","90","","91.256","0.003","90","","7727.2","0.5","123","1","123","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C37.5 H33 Cl7 N2 O6 -","- C37.5 H27 Cl7 N2 O6 -","- C300 H216 Cl56 N16 O48 -","8","1","","Sierra, Sonia; López, Rosa; Gómez-Bengoa, Enrique; Falvello, Larry R.; Urriolabeitia, Esteban P.","Synthesis of 1,2-diaminotruxinic δ-cyclobutanes by BF<sub>3</sub>-controlled [2 + 2]-photocycloaddition of 5(4<i>H</i>)-oxazolones and stereoselective expansion of δ-cyclobutanes to give highly substituted pyrrolidine-2,5-dicarboxylates.","Organic & biomolecular chemistry","2023","21","15","3203","3213","10.1039/d3ob00284e","","x-ray","0.71073","MoKα","","0.0841","0.0485","","","0.0971","0.1121","","","","","","1.017","","","","has coordinates,has disorder","283470","2023-05-05","03:22:07",""
"7159255","9.6404","0.0008","10.1481","0.0009","17.4357","0.0015","96.554","0.001","96.045","0.001","105.312","0.001","1618","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H30 Cl2 F2 N2 O6 -","- C34 H28 F2 N2 O6 -","- C68 H56 F4 N4 O12 -","2","1","","Sierra, Sonia; López, Rosa; Gómez-Bengoa, Enrique; Falvello, Larry R.; Urriolabeitia, Esteban P.","Synthesis of 1,2-diaminotruxinic δ-cyclobutanes by BF<sub>3</sub>-controlled [2 + 2]-photocycloaddition of 5(4<i>H</i>)-oxazolones and stereoselective expansion of δ-cyclobutanes to give highly substituted pyrrolidine-2,5-dicarboxylates.","Organic & biomolecular chemistry","2023","21","15","3203","3213","10.1039/d3ob00284e","","","0.71073","MoKα","","0.1289","0.0851","","","0.2397","0.2648","","","","","","1.023","","","","has coordinates","283470","2023-05-05","03:22:17",""
"7159256","9.4722","0.0013","10.4254","0.0015","18.483","0.003","99.183","0.002","93.99","0.002","108.186","0.002","1697.9","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H27 Cl3 F4 N2 O6 -","- C35 H26 Cl2.998 F4 N2 O6 -","- C70 H52 Cl5.996 F8 N4 O12 -","2","1","","Sierra, Sonia; López, Rosa; Gómez-Bengoa, Enrique; Falvello, Larry R.; Urriolabeitia, Esteban P.","Synthesis of 1,2-diaminotruxinic δ-cyclobutanes by BF<sub>3</sub>-controlled [2 + 2]-photocycloaddition of 5(4<i>H</i>)-oxazolones and stereoselective expansion of δ-cyclobutanes to give highly substituted pyrrolidine-2,5-dicarboxylates.","Organic & biomolecular chemistry","2023","21","15","3203","3213","10.1039/d3ob00284e","","","0.71073","MoKα","","0.0825","0.0453","","","0.1005","0.116","","","","","","1.011","","","","has coordinates,has disorder","283470","2023-05-05","03:22:19",""
"7159257","5.37551","0.00009","7.85484","0.00012","56.3649","0.0009","90","","90","","90","","2379.94","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H62 O10 P2 -","- C50 H62 O10 P2 -","- C100 H124 O20 P4 -","2","0.5","","Huang, Zhuo; Liu, Xu-Teng; Cui, Ranran; Zhang, Qing-Wei","Nickel-catalysed enantioselective reaction of secondary phosphine oxides and activated vinylcyclopropanes.","Organic & biomolecular chemistry","2023","21","15","3096","3100","10.1039/d3ob00389b","","x-ray","1.54184","CuKα","","0.0988","0.0953","","","0.2373","0.2409","","","","","","1.094","","","","has coordinates","283469","2023-05-05","03:21:55",""
"7159258","16.8319","0.0012","15.3118","0.0013","6.5989","0.0006","90","","90","","90","","1700.7","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H18 F3 N S -","- C19 H18 F3 N S -","- C76 H72 F12 N4 S4 -","4","1","","Zhang, Xinyu; Zhang, Jinli; Chen, Jie; Zhou, Banghua; Zhang, Jian; Chen, Shunhong; Wu, Jian; Jiang, Yaojia","Modular synthesis of fluorinated 2<i>H</i>-thiophenes <i>via</i> [4 + 1] cyclization of enaminothiones.","Organic & biomolecular chemistry","2023","21","16","3345","3349","10.1039/d3ob00222e","","","0.71073","","","0.0982","0.0741","","","0.1558","0.1722","","","","","","1.174","","","","has coordinates","283444","2023-05-05","03:14:32",""
"7159259","13.785","0.005","8.252","0.003","12.807","0.005","90","","96.271","0.007","90","","1448.1","0.9","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O2 -","- C21 H14 O2 -","- C84 H56 O8 -","4","1","","Geng, Meiqi; Kuang, Jinqiang; Miao, Maozhong; Ma, Yongmin","Cu(II)-catalyzed domino construction of spironaphthalenones by dearomatization of β-naphthols and using <i>N</i>,<i>N</i>-dimethylaminoethanol as a C1 synthon.","Organic & biomolecular chemistry","2023","21","15","3101","3104","10.1039/d3ob00296a","","","0.71073","MoKα","","0.1519","0.0549","","","0.112","0.1493","","","","","","0.947","","","","has coordinates","283468","2023-05-05","03:21:49",""
"7159260","12.0118","0.0001","12.1812","0.0001","13.6128","0.0001","90","","90","","90","","1991.8","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 -","- C26 H26 N2 -","- C104 H104 N8 -","4","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0277","0.027","","","0.0701","0.0716","","","","","","1.074","","","","has coordinates","283439","2023-05-05","03:12:05",""
"7159261","8.4743","0.0001","10.547","0.0001","12.4447","0.0001","90","","98.883","0.001","90","","1098.95","0.019","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 -","- C28 H30 N2 -","- C56 H60 N4 -","2","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0258","0.0255","","","0.066","0.0662","","","","","","1.059","","","","has coordinates","283439","2023-05-05","03:12:17",""
"7159262","22.6368","0.0005","7.9095","0.0001","15.4739","0.0003","90","","98.224","0.002","90","","2742.05","0.09","100.02","0.13","100.02","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 B F4 N2 -","- C34 H31 B0.9999 F3.9996 N2 -","- C136 H124 B3.9996 F15.9984 N8 -","4","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.11","0.1039","","","0.3147","0.3205","","","","","","1.093","","","","has coordinates,has disorder","283439","2023-05-05","03:12:21",""
"7159263","10.9012","0.0001","11.666","0.0001","23.8047","0.0002","90","","95.836","0.001","90","","3011.63","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C152 H152 N24 -","8","2","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0612","0.0603","","","0.1299","0.1305","","","","","","1.286","","","","has coordinates,has disorder","283439","2023-05-05","03:12:38",""
"7159264","7.79528","0.00012","15.428","0.0003","21.7637","0.0006","78.203","0.0019","89.1878","0.0017","76.9905","0.0014","2494.98","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 B F4 N2 -","- C28 H31 B F4 N2 -","- C112 H124 B4 F16 N8 -","4","2","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","","1.54184","CuKα","","0.0555","0.0488","","","0.1391","0.1428","","","","","","1.069","","","","has coordinates,has disorder","283439","2023-05-05","03:12:41",""
"7159265","7.856","0.0001","18.388","0.0002","8.8363","0.0001","90","","98.51","0.001","90","","1262.4","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H30 N2 -","- C34 H30 N2 -","- C68 H60 N4 -","2","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0314","0.0307","","","0.08","0.0808","","","","","","1.021","","","","has coordinates","283439","2023-05-05","03:12:54",""
"7159266","12.9821","0.0001","14.7182","0.0001","14.696","0.0001","90","","114.641","0.001","90","","2552.31","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 -","- C34 H30 N2 -","- C136 H120 N8 -","4","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0366","0.0343","","","0.0872","0.089","","","","","","1.027","","","","has coordinates","283439","2023-05-05","03:13:03",""
"7159267","7.8664","0.0001","22.4348","0.0004","22.691","0.0003","99.363","0.001","95.434","0.001","95.906","0.001","3904.79","0.1","100.02","0.13","100.02","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 B F4 N2 -","- C26 H27 B F4.001 N2 -","- C156 H162 B6 F24.006 N12 -","6","3","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.067","0.0573","","","0.1523","0.161","","","","","","1.022","","","","has coordinates,has disorder","283439","2023-05-05","03:13:08",""
"7159268","7.4375","0.0001","14.8172","0.0002","21.9398","0.0003","90","","90","","90","","2417.83","0.06","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H19 F2 N O -","- C30 H20 F2 N2 O -","- C120 H80 F8 N8 O4 -","4","1","","Beriša, Arben; Gredičak, Matija","Chiral phosphoric acid-catalyzed Friedel-Crafts reaction of 2,5-disubstituted and 2-monosubstituted pyrroles with isoindolinone-derived ketimines.","Organic & biomolecular chemistry","2023","21","16","3381","3387","10.1039/d3ob00326d","","","1.54184","CuKα","","0.0348","0.0324","","","0.0882","0.0902","","","","","","1.051","","","","has coordinates","283442","2023-05-05","03:13:58",""
"7159269","9.8161","0.0005","17.3216","0.001","16.6079","0.001","90","","92.516","0.002","90","","2821.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 O3 S -","- C32 H34 N2 O3 S -","- C128 H136 N8 O12 S4 -","4","1","","Zhang, Tao; Ji, Danqing; Sun, Jiangtao","Catalytic aminomethylative etherification of <i>N</i>-allenamides with <i>N</i>,<i>O</i>-acetals enabled by Lewis/Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","16","3340","3344","10.1039/d3ob00363a","","","0.71073","MoKα","","0.0498","0.0374","","","0.0877","0.0944","","","","","","1.015","","","","has coordinates","283443","2023-05-05","03:14:11",""
"7159270","9.6485","0.0003","13.5819","0.0004","22.0979","0.0006","90","","90","","90","","2895.82","0.15","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Br N2 O3 S -","- C32 H33 Br N2 O3 S -","- C128 H132 Br4 N8 O12 S4 -","4","1","","Zhang, Tao; Ji, Danqing; Sun, Jiangtao","Catalytic aminomethylative etherification of <i>N</i>-allenamides with <i>N</i>,<i>O</i>-acetals enabled by Lewis/Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","16","3340","3344","10.1039/d3ob00363a","","","1.34139","GaKα","","0.0273","0.0262","","","0.0684","0.0694","","","","","","1.045","","","","has coordinates","283443","2023-05-05","03:14:13",""
"7159271","17.7089","0.0001","14.164","0.0001","6.7592","0.0001","90","","98.5","0.001","90","","1676.78","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N6 O -","- C19 H18 N6 O -","- C76 H72 N24 O4 -","4","1","","Ng, Jia Hui; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","3,4-Diaminopyrazolo[3,4-<i>d</i>]pyrimidines: a new three-component microwave-assisted synthesis and anti-leukemic properties.","Organic & biomolecular chemistry","2023","21","16","3432","3446","10.1039/d3ob00350g","","","1.54184","CuKα","","0.038","0.0355","","","0.09","0.0924","","","","","","1.049","","","","has coordinates","283440","2023-05-05","03:13:18",""
"7159272","7.6452","0.0001","20.3952","0.0003","10.8627","0.0001","90","","90.594","0.001","90","","1693.68","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl F N6 O -","- C18 H16 Cl F N6 O -","- C72 H64 Cl4 F4 N24 O4 -","4","1","","Ng, Jia Hui; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","3,4-Diaminopyrazolo[3,4-<i>d</i>]pyrimidines: a new three-component microwave-assisted synthesis and anti-leukemic properties.","Organic & biomolecular chemistry","2023","21","16","3432","3446","10.1039/d3ob00350g","","","1.54184","CuKα","","0.0379","0.0341","","","0.0879","0.0908","","","","","","1.054","","","","has coordinates","283440","2023-05-05","03:13:18",""
"7159273","13.1511","0.0001","20.8896","0.0002","7.0074","0.0001","90","","103.52","0.001","90","","1871.73","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl N6 O2 -","- C19 H19 Cl N6 O2 -","- C76 H76 Cl4 N24 O8 -","4","1","","Ng, Jia Hui; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","3,4-Diaminopyrazolo[3,4-<i>d</i>]pyrimidines: a new three-component microwave-assisted synthesis and anti-leukemic properties.","Organic & biomolecular chemistry","2023","21","16","3432","3446","10.1039/d3ob00350g","","","1.54184","CuKα","","0.0345","0.0329","","","0.091","0.0923","","","","","","1.07","","","","has coordinates","283440","2023-05-05","03:13:18",""
"7159274","19.6065","0.0004","5.4112","0.0001","18.4634","0.0003","90","","114.742","0.002","90","","1779.05","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N6 -","- C20 H20 N6 -","- C80 H80 N24 -","4","1","","Ng, Jia Hui; Lim, Felicia Phei Lin; Tiekink, Edward R. T.; Dolzhenko, Anton V.","3,4-Diaminopyrazolo[3,4-<i>d</i>]pyrimidines: a new three-component microwave-assisted synthesis and anti-leukemic properties.","Organic & biomolecular chemistry","2023","21","16","3432","3446","10.1039/d3ob00350g","","","1.54184","CuKα","","0.041","0.0367","","","0.0933","0.0968","","","","","","1.038","","","","has coordinates","283440","2023-05-05","03:13:18",""
"7159275","4.9665","0.0001","11.8329","0.0002","27.6027","0.0005","90","","90","","90","","1622.16","0.05","100","","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","MN-12R","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Falkenburg, Ruben; Notheis, Maximilian J.; Schnakenburg, Gregor; von Krbek, Larissa K. S.","Twelve-membered ring photoswitches with excellent <i>Z</i> → <i>E</i> conversion under ambient light.","Organic & biomolecular chemistry","2023","21","24","4993","4998","10.1039/d3ob00413a","","","1.54186","CuKα","","0.0251","0.0249","","","0.0641","0.0643","","","","","","1.05","","","","has coordinates","284953","2023-07-05","10:48:09",""
"7159276","26.2945","0.0005","3.86139","0.00006","25.3106","0.0004","90","","94.4637","0.0017","90","","2562.07","0.08","99.95","0.1","99.95","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 F N O2 -","- C17 H14 F N O2 -","- C136 H112 F8 N8 O16 -","8","1","","Shakenov, Aldiyar; Gnyawali, Krishna Prasad; Yi, Chae S.","Concise synthesis of 2,3-disubstituted quinoline derivatives <i>via</i> ruthenium-catalyzed three-component deaminative coupling reaction of anilines, aldehydes and amines.","Organic & biomolecular chemistry","2023","21","17","3582","3587","10.1039/d3ob00348e","","x-ray","1.54184","CuKα","","0.0367","0.033","","","0.087","0.0912","","","","","","1.036","","","","has coordinates","283437","2023-05-05","03:10:57",""
"7159277","14.9864","0.0005","4.8723","0.00014","18.6483","0.0006","90","","102.739","0.003","90","","1328.15","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Shakenov, Aldiyar; Gnyawali, Krishna Prasad; Yi, Chae S.","Concise synthesis of 2,3-disubstituted quinoline derivatives <i>via</i> ruthenium-catalyzed three-component deaminative coupling reaction of anilines, aldehydes and amines.","Organic & biomolecular chemistry","2023","21","17","3582","3587","10.1039/d3ob00348e","","x-ray","0.71073","MoKα","","0.0615","0.0464","","","0.1137","0.1255","","","","","","1.033","","","","has coordinates","283437","2023-05-05","03:11:00",""
"7159278","6.031","0.0012","9.2468","0.0018","28.59","0.006","90","","90","","90","","1594.4","0.6","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O6 S2 -","- C12 H21 N O6 S2 -","- C48 H84 N4 O24 S8 -","4","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-<i>allo</i>-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","","0.71073","MoKα","","0.0381","0.0371","","","0.0939","0.095","","","","","","1.088","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159279","8.5031","0.0001","11.0312","0.0001","11.5319","0.0001","90","","90","","90","","1081.69","0.019","170","0.1","170","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-<i>allo</i>-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","1.54178","CuKα","","0.0292","0.028","","","0.0754","0.0766","","","","","","1.083","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159280","6.3656","0.00004","17.75841","0.00012","9.71022","0.00007","90","","90.3845","0.0006","90","","1097.65","0.013","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Cl N O3 -","- C9 H16 Cl N O3 -","- C36 H64 Cl4 N4 O12 -","4","2","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-<i>allo</i>-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","1.54184","CuKα","","0.0293","0.0273","","","0.071","0.0722","","","","","","1.059","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159281","6.0362","0.0001","11.5263","0.0003","12.3169","0.0003","90","","90","","90","","856.95","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C24 H56 Cl4 N4 O16 -","4","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-<i>allo</i>-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","0.71073","MoKα","","0.0204","0.0199","","","0.0514","0.0515","","","","","","1.08","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159282","11.5597","0.0001","10.5831","0.0001","13.6952","0.0001","90","","108.399","0.001","90","","1589.79","0.03","169.99","0.13","169.99","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H41 N O6 Si -","- C33 H41 N O6 Si -","- C66 H82 N2 O12 Si2 -","2","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-<i>allo</i>-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","1.54184","CuKα","","0.0323","0.0296","","","0.0748","0.0786","","","","","","1.044","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159283","15.7306","0.0009","14.9839","0.0008","7.2686","0.0005","90","","111.748","0.008","90","","1591.31","0.19","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-(3-methyl-4-nitroso-5-phenyl-1H-pyrazol-1-yl)quinoxalin-2-ol","","- C18 H13 N5 O2 -","- C18 H13 N5 O2 -","- C72 H52 N20 O8 -","4","1","","Bobrov, Pavel S.; Kirik, Sergei D.; Peterson, Ivan V.; Suboch, Georgii A.","Regioselective synthesis of novel nitroso-pyrazolylquinoxalines <i>via</i> HOAc-mediated cyclocondensation of 2-hydroxyimino-1,3-diketones with hydrazinylquinoxalines.","Organic & biomolecular chemistry","2023","21","17","3604","3614","10.1039/d3ob00356f","powder diffraction","","1.54184","CuKα","","","","","","","","","7.6","2.02","","","","","","","has coordinates","283436","2023-05-05","03:10:49",""
"7159284","10.001","0.0017","17.669","0.003","9.0754","0.0016","90","","98.913","0.017","90","","1584.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sensitive Hydrazine Detection and Quantification with a Fluorescent Benzothiadiazole Probe: Selective Cellular and Multicellular Imaging.","","- C20 H14 N2 O2 S -","- C20 H14 N2 O2 S -","- C80 H56 N8 O8 S4 -","4","1","","Santos, Camila O.; Passos, Saulo T. A.; Sorto, Jenny E. P.; Machado, Daniel F. S.; Correa, Jose R.; da Silva Júnior, Eufrânio N; Rodrigues, Marcelo O.; Neto, Brenno A. D.","Sensitive hydrazine detection and quantification with a fluorescent benzothiadiazole sensor: selective lipid droplets and <i>in vivo</i> imaging.","Organic & biomolecular chemistry","2023","21","22","4606","4619","10.1039/d3ob00007a","","x-ray","0.71073","MoKα","","0.2507","0.1071","","","0.3109","0.3918","","","","","","1.054","","","","has coordinates","284964","2023-07-05","10:53:00",""
"7159285","6.2002","0.0009","9.3687","0.0012","15.799","0.002","101.093","0.004","99.079","0.004","105.428","0.004","846.7","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H16 F5 N O4 -","- C16 H16 F5 N O4 -","- C32 H32 F10 N2 O8 -","2","2","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.0455","0.0326","","","0.0631","0.0673","","","","","","1.023","","","","has coordinates","284327","2023-06-05","04:56:51",""
"7159286","10.469","0.006","9.455","0.006","11.567","0.006","90","","110.556","0.014","90","","1072.1","1.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 F5 N O4 -","- C22 H20 F5 N O4 -","- C44 H40 F10 N2 O8 -","2","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.1674","0.0687","","","0.1476","0.2072","","","","","","0.893","","","","has coordinates","284327","2023-06-05","04:56:56",""
"7159287","6.216","0.003","5.362","0.003","28.415","0.013","90","","95.424","0.012","90","","942.8","0.8","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.1436","0.0899","","","0.211","0.2324","","","","","","1.085","","","","has coordinates","284327","2023-06-05","04:56:56",""
"7159288","6.2063","0.0011","13.323","0.003","16.945","0.003","90","","91.668","0.006","90","","1400.5","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.0667","0.0416","","","0.0915","0.1036","","","","","","1.022","","","","has coordinates","284327","2023-06-05","04:56:56",""
"7159289","6.191","0.0007","14.7184","0.0016","22.774","0.003","90","","90","","90","","2075.2","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","1.54178","CuKα","","0.055","0.0408","","","0.0922","0.0993","","","","","","1.037","","","","has coordinates","284327","2023-06-05","04:56:56",""
"7159290","6.146","0.003","14.129","0.007","16.674","0.008","90","","99.499","0.014","90","","1428.1","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","0.71073","MoKα","","0.1915","0.0723","","","0.1772","0.271","","","","","","0.79","","","","has coordinates","284327","2023-06-05","04:56:56",""
"7159291","5.6288","0.0006","8.6039","0.0006","13.5334","0.001","101.322","0.006","97.846","0.007","91.464","0.007","635.72","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Br N O4 -","- C13 H12 Br N O4 -","- C26 H24 Br2 N2 O8 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0596","0.0527","","0.1485","0.1396","0.1485","","","","","","0.9995","","","","has coordinates","284309","2023-06-05","04:51:14",""
"7159292","7.6792","0.0003","7.7206","0.0003","18.8453","0.0008","93.826","0.004","92.511","0.004","114.147","0.004","1014.16","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 N O4 Si -","- C19 H27 N O4 Si -","- C38 H54 N2 O8 Si2 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0502","0.041","","0.1102","0.1012","0.1102","","","","","","1.0017","","","","has coordinates","284309","2023-06-05","04:51:14",""
"7159293","5.5806","0.0001","13.5108","0.0002","15.3647","0.0003","90","","99.2499","0.0017","90","","1143.41","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F N O3 -","- C13 H12 F N O3 -","- C52 H48 F4 N4 O12 -","4","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0488","0.0454","","0.1238","0.1185","0.1238","","","","","","1.004","","","","has coordinates","284309","2023-06-05","04:51:14",""
"7159294","7.5827","0.0002","14.7561","0.0004","17.4215","0.0004","90","","101.342","0.002","90","","1911.24","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 F N O4 Si -","- C19 H26 F N O4 Si -","- C76 H104 F4 N4 O16 Si4 -","4","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","0.6889","Synchrotron","","0.1155","0.0967","","0.2386","0.2278","0.1797","","","","","","0.9946","","","","has coordinates","284309","2023-06-05","04:51:14",""
"7159295","7.607","0.0003","7.9569","0.0003","18.7476","0.0006","92.034","0.003","92.705","0.003","115.382","0.004","1022.12","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 F N O4 Si -","- C19 H26 F N O4 Si -","- C38 H52 F2 N2 O8 Si2 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0435","0.0399","","0.115","0.1109","0.115","","","","","","1.0023","","","","has coordinates","284309","2023-06-05","04:51:14",""
"7159296","7.6071","0.0002","8.3244","0.0003","18.1081","0.0006","92.806","0.003","91.7","0.003","107.611","0.003","1090.44","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N2 O6 Si -","- C19 H26 N2 O6 Si -","- C38 H52 N4 O12 Si2 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0354","0.0315","","0.0855","0.0815","0.0855","","","","","","0.9943","","","","has coordinates","284309","2023-06-05","04:51:14",""
"7159297","11.7216","0.001","7.9879","0.0006","13.3513","0.0014","90","","113.311","0.012","90","","1148.1","0.2","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N O6 Si -","- C21 H29 N O6 Si -","- C42 H58 N2 O12 Si2 -","2","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0594","0.0436","","0.1173","0.1001","0.1173","","","","","","1.0019","","","","has coordinates,has disorder","284309","2023-06-05","04:51:14",""
"7159298","8.2581","0.0001","15.3881","0.0001","31.9391","0.0002","90","","90","","90","","4058.71","0.06","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H26 N2 O6 Si -","- C19 H26 N2 O6 Si -","- C152 H208 N16 O48 Si8 -","8","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0375","0.0334","","0.0932","0.0881","0.0932","","","","","","0.9967","","","","has coordinates","284309","2023-06-05","04:51:15",""
"7159299","10.4727","0.0001","8.76","0.0001","28.8275","0.0003","90","","94.2357","0.0009","90","","2637.44","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H33 N O6 Si -","- C27 H33 N O6 Si -","- C108 H132 N4 O24 Si4 -","4","2","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.032","0.0308","","0.0832","0.0816","0.0832","","","","","","1.0042","","","","has coordinates","284309","2023-06-05","04:51:15",""
"7159300","12.9946","0.0005","9.2309","0.0003","15.3935","0.0006","90","","92.249","0.004","90","","1845.06","0.12","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C96 H64 N16 O8 -","8","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0658","0.062","","0.1776","0.1721","0.1776","","","","","","1.0062","","","","has coordinates","284309","2023-06-05","04:51:15",""
"7159301","11.4163","0.0002","12.6752","0.0002","8.4365","0.0002","90","","90","","90","","1220.79","0.04","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0302","0.0294","","0.0774","0.076","0.0774","","","","","","1.0046","","","","has coordinates","284309","2023-06-05","04:51:15",""
"7159302","12.1705","0.0009","16.4186","0.001","17.4433","0.001","90","","90","","90","","3485.6","0.4","160","2","160","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C160 H192 O40 -","8","1","","Canko, Aleksander; Athanassopoulou, Georgia D.; Psycharis, Vassilis; Raptopoulou, Catherine P.; Herniman, Julie M.; Mouchtouris, Vasileios; Foscolos, Angeliki Sofia; Couladouros, Elias A.; Vidali, Veroniki P.","First total synthesis of type II abyssomicins: (±)-abyssomicin 2 and (±)-neoabyssomicin B.","Organic & biomolecular chemistry","2023","21","18","3761","3765","10.1039/d3ob00476g","","","0.71073","MoKα","","0.0941","0.0528","","","0.1308","0.1577","","","","","","0.912","","","","has coordinates","284330","2023-06-05","04:57:14",""
"7159303","5.4791","0.0001","14.148","0.0004","27.7407","0.0008","90","","90","","90","","2150.41","0.1","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4b-pCl","","- C20 H18 Br2 Cl2 N2 O4 -","- C20 H18 Br2 Cl2 N2 O4 -","- C80 H72 Br8 Cl8 N8 O16 -","4","1","","Nishiyori, Ryuichi; Mori, Taiki; Shirakawa, Seiji","Catalytic asymmetric CO<sub>2</sub> utilization reaction for the enantioselective synthesis of chiral 2-oxazolidinones.","Organic & biomolecular chemistry","2023","21","19","4002","4006","10.1039/d3ob00555k","","x-ray","1.54184","CuKα","","0.0276","0.0264","","","0.0684","0.0693","","","","","","1.036","","","","has coordinates","284314","2023-06-05","04:52:11",""
"7159304","12.3801","0.0002","5.46613","0.00014","18.0363","0.0004","90","","93.6831","0.0018","90","","1218.02","0.05","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","4d-OCF3","","- C11 H9 Br F3 N O3 -","- C11 H9 Br F3 N O3 -","- C44 H36 Br4 F12 N4 O12 -","4","1","","Nishiyori, Ryuichi; Mori, Taiki; Shirakawa, Seiji","Catalytic asymmetric CO<sub>2</sub> utilization reaction for the enantioselective synthesis of chiral 2-oxazolidinones.","Organic & biomolecular chemistry","2023","21","19","4002","4006","10.1039/d3ob00555k","","x-ray","1.54184","CuKα","","0.0259","0.025","","","0.0613","0.062","","","","","","1.047","","","","has coordinates","284314","2023-06-05","04:52:12",""
"7159305","8.7205","0.0014","13.737","0.003","11.3839","0.0019","90","","100.158","0.016","90","","1342.3","0.4","293.9","0.7","293.9","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Nam, Seonghyeon; Lee, Sunhee; Kim, Woojin; Kim, Ikyon","Divergent synthesis of two types of indolizines from pyridine-2-acetonitrile, (hetero)arylglyoxal, and TMSCN.","Organic & biomolecular chemistry","2023","21","18","3881","3895","10.1039/d3ob00471f","","x-ray","0.71073","MoKα","","0.1816","0.0778","","","0.1788","0.2429","","","","","","1.009","","","","has coordinates","284328","2023-06-05","04:57:02",""
"7159306","12.1137","0.0008","9.2789","0.0007","21.5088","0.0015","90","","90","","90","","2417.6","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C120 H80 N16 O8 -","8","1","","Nam, Seonghyeon; Lee, Sunhee; Kim, Woojin; Kim, Ikyon","Divergent synthesis of two types of indolizines from pyridine-2-acetonitrile, (hetero)arylglyoxal, and TMSCN.","Organic & biomolecular chemistry","2023","21","18","3881","3895","10.1039/d3ob00471f","","","0.71073","MoKα","","0.0705","0.0468","","","0.1025","0.1205","","","","","","1.074","","","","has coordinates","284328","2023-06-05","04:57:03",""
"7159307","8.3581","0.0007","15.8178","0.0011","24.7199","0.0017","90","","90","","90","","3268.1","0.4","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 N2 S -","- C20 H16 N2 S -","- C160 H128 N16 S8 -","8","1","","Liu, Yi; Gao, Wei; Yuan, Sitian; Ni, Mengjia; Hao, Tianxin; Zeng, Cuiying; Xu, Xinyi; Fu, Yang; Peng, Yiyuan; Ding, Qiuping","One-pot synthesis of 11-sulfenyl dibenzodiazepines <i>via</i> tandem sulfenylation/cyclization of <i>o</i>-isocyanodiaryl amines and diaryl disulfides.","Organic & biomolecular chemistry","2023","21","20","4257","4263","10.1039/d3ob00220a","","x-ray","0.71073","MoKα","","0.0881","0.0529","","","0.1131","0.1286","","","","","","1.08","","","","has coordinates","284317","2023-06-05","04:52:35",""
"7159308","9.4108","0.0006","7.4249","0.0005","23.574","0.0016","90","","98.961","0.001","90","","1627.11","0.19","120.15","","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C76 H80 Cl4 N4 O8 -","4","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.04","0.0333","","","0.0761","0.0802","","","","","","1.058","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159309","8.269","0.0002","11.3776","0.0003","12.621","0.0003","65.347","0.001","81.305","0.002","82.114","0.002","1063.13","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O7 -","- C23 H25 N O7 -","- C46 H50 N2 O14 -","2","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0477","0.0384","","","0.0852","0.0981","","","","","","1.094","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159310","7.6481","0.0004","14.5397","0.0009","16.0367","0.0008","90","","97.315","0.002","90","","1768.78","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0826","0.0511","","","0.0985","0.1129","","","","","","1.033","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159311","16.0364","0.0003","7.7955","0.0002","29.9446","0.0005","90","","104.065","0.001","90","","3631.2","0.13","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0503","0.0408","","","0.0973","0.105","","","","","","1.019","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159312","8.3557","0.0002","12.0543","0.0003","12.7272","0.0003","90","","98.353","0.001","90","","1268.31","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0502","0.0401","","","0.0917","0.0978","","","","","","1.045","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159313","9.3222","0.0002","9.735","0.0002","20.5787","0.0004","90","","100.068","0.001","90","","1838.79","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0438","0.0403","","","0.1039","0.1066","","","","","","1.046","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159314","8.2903","0.0002","11.3338","0.0003","12.6044","0.0003","65.404","0.001","81.038","0.001","82.37","0.001","1060.66","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl N O7 -","- C22 H22 Cl N O7 -","- C44 H44 Cl2 N2 O14 -","2","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0414","0.0346","","","0.0838","0.0878","","","","","","1.031","","","","has coordinates","284325","2023-06-05","04:56:25",""
"7159315","18.0942","0.0006","12.8516","0.0004","20.5407","0.0007","90","","93.074","0.002","90","","4769.6","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 N O7 -","- C28 H27 N O7 -","- C224 H216 N8 O56 -","8","1","","Lukoyanov, Alexander A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Aksenova, Svetlana A.; Sukhorukov, Alexey Yu","Nitronate-aryne cycloaddition as a concise route to stereochemically complex fused benzisoxazolines and amino alcohols.","Organic & biomolecular chemistry","2023","21","18","3871","3880","10.1039/d3ob00235g","","","0.71073","MoKα","","0.0779","0.0491","","","0.1055","0.1239","","","","","","1.027","","","","has coordinates,has disorder","284325","2023-06-05","04:56:25",""
"7159316","7.3053","0.0003","12.1351","0.0004","18.2588","0.0009","90","","92.115","0.004","90","","1617.55","0.12","113.7","0.14","113.7","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","1","","Cao, Yang; Liu, Xiaoyu; Wang, Zhe; Wang, Yuan; Jiao, Xiaozhen; Xie, Ping","Convenient synthesis of perhydrobenz[<i>e</i>]indene triketone, a key intermediate for the total synthesis of stelletins.","Organic & biomolecular chemistry","2023","21","18","3850","3857","10.1039/d3ob00319a","","x-ray","0.71073","MoKα","","0.0612","0.0465","","","0.1033","0.1129","","","","","","1.037","","","","has coordinates","284329","2023-06-05","04:57:08",""
"7159317","4.8265","0.0007","11.8034","0.0018","16.146","0.002","74.98","0.012","85.102","0.012","79.447","0.012","872.7","0.2","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H40 N8 O12 -","- C32 H40 N8 O12 -","- C32 H40 N8 O12 -","1","1","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues <i>via</i> organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","1.54178","CuKα","","0.1726","0.1206","","","0.2821","0.3346","","","","","","1.376","","","","has coordinates","284324","2023-06-05","04:54:35",""
"7159318","8.6926","0.0004","10.2171","0.0005","10.4436","0.0005","73.2229","0.0017","86.5859","0.0018","65.2493","0.0015","804.46","0.07","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H46 N4 O3 -","- C38 H46 N4 O3 -","- C38 H46 N4 O3 -","1","1","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues <i>via</i> organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","0.71073","MoKα","","0.0649","0.0466","","","0.092","0.1051","","","","","","1.077","","","","has coordinates","284324","2023-06-05","04:55:33",""
"7159319","7.2485","0.0002","10.0179","0.0003","22.3054","0.0007","90","","90","","90","","1619.7","0.08","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C76 H84 Cl4 N8 O4 -","4","1","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues <i>via</i> organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","0.71073","MoKα","","0.0519","0.042","","","0.089","0.0975","","","","","","1.122","","","","has coordinates","284324","2023-06-05","04:55:41",""
"7159320","8.6495","0.0004","10.1461","0.0005","10.4409","0.0005","72.9361","0.0019","86.3302","0.0018","65.6886","0.0017","796.57","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N2 O1.5 -","- C19 H23 N2 O1.5 -","- C38 H46 N4 O3 -","2","2","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues <i>via</i> organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","1.54178","CuKα","","0.0401","0.0393","","","0.1019","0.1031","","","","","","1.021","","","","has coordinates","284324","2023-06-05","04:55:55",""
"7159321","7.0003","0.0005","7.5875","0.0003","9.1343","0.0007","90","","106.874","0.007","90","","464.28","0.05","102","4","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-6d","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Ojo, O. Stephen; Hughes, David L.; Richards, Christopher J.","An expedient copper-catalysed asymmetric synthesis of γ-lactones and γ-lactams. Application to the synthesis of lucidulactone A.","Organic & biomolecular chemistry","2023","21","19","4144","4149","10.1039/d3ob00563a","","x-ray","1.54184","CuKα","","0.042","0.0418","","","0.1152","0.1154","","","","","","1.071","","","","has coordinates,has disorder","284311","2023-06-05","04:51:36",""
"7159322","7.1914","0.0004","10.5484","0.0005","24.6032","0.0013","90","","91.051","0.004","90","","1866.03","0.17","100","0.11","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H28 O5 Si -","- C18 H28 O5 Si -","- C72 H112 O20 Si4 -","4","2","","Ojo, O. Stephen; Hughes, David L.; Richards, Christopher J.","An expedient copper-catalysed asymmetric synthesis of γ-lactones and γ-lactams. Application to the synthesis of lucidulactone A.","Organic & biomolecular chemistry","2023","21","19","4144","4149","10.1039/d3ob00563a","","x-ray","0.71073","MoKα","","0.0667","0.0481","","","0.0988","0.1049","","","","","","1.012","","","","has coordinates","284311","2023-06-05","04:51:36",""
"7159323","11.3098","0.0007","12.4371","0.0015","12.7916","0.0013","113.736","0.011","104.197","0.007","95.841","0.007","1555.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H78 N8 Zn2 -","- C73 H70 N8 Zn2 -","- C73 H70 N8 Zn2 -","1","0.5","","Harinath, Adimulam; Karmakar, Himadri; Kisan, Devadkar Ajitaro; Nayek, Hari Pada; Panda, Tarun K.","NHC-Zn alkyl catalyzed cross-dehydrocoupling of amines and silanes.","Organic & biomolecular chemistry","2023","21","20","4237","4244","10.1039/d3ob00453h","","","1.54184","CuKα","","0.0918","0.0687","","","0.1934","0.2183","","","","","","0.926","","","","has coordinates","284318","2023-06-05","04:52:42",""
"7159324","6.8198","0.0002","11.6463","0.0004","12.6683","0.0005","90","","99.955","0.003","90","","991.04","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N Si -","- C25 H23 N Si -","- C50 H46 N2 Si2 -","2","1","","Harinath, Adimulam; Karmakar, Himadri; Kisan, Devadkar Ajitaro; Nayek, Hari Pada; Panda, Tarun K.","NHC-Zn alkyl catalyzed cross-dehydrocoupling of amines and silanes.","Organic & biomolecular chemistry","2023","21","20","4237","4244","10.1039/d3ob00453h","","","1.54184","CuKα","","0.0547","0.0532","","","0.1464","0.1483","","","","","","1.1","","","","has coordinates","284318","2023-06-05","04:52:42",""
"7159325","7.1923","0.0014","9.941","0.002","15.929","0.003","107.89","0.03","92.67","0.03","90.21","0.03","1082.5","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Nazeri, Mohammad Taghi; Ahmadi, Masoomeh; Ghasemi, Maryam; Shaabani, Ahmad; Notash, Behrouz","The new synthesis of pyrrole-fused dibenzo[<i>b</i>,<i>f</i>][1,4]oxazepine/thiazepines by the pseudo-Joullié-Ugi reaction <i>via</i> an unexpected route with high chemoselectivity.","Organic & biomolecular chemistry","2023","21","19","4095","4108","10.1039/d3ob00250k","","","0.71073","MoKα","","0.0941","0.0594","","","0.1398","0.1547","","","","","","0.959","","","","has coordinates","284313","2023-06-05","04:51:58",""
"7159326","12.6563","0.0006","9.6499","0.0004","14.6371","0.0007","90","","104.392","0.005","90","","1731.56","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","1","","Wang, Yufeng; Li, Qiang; Song, Xiaopei; Wang, Jing; Yin, Xiangcong; Li, Shuai-Shuai; Wang, Liang","Chemoselective and diastereoselective construction of 4-alkylidene-tetrahydroquinoline <i>via</i> a redox-neutral vinylogous cascade [1,7]-hydride transfer/6-<i>endo-trig</i> cyclization strategy.","Organic & biomolecular chemistry","2023","21","19","4007","4012","10.1039/d3ob00223c","","","1.54184","CuKα","","0.069","0.0518","","","0.1287","0.1457","","","","","","1.044","","","","has coordinates","284312","2023-06-05","04:51:42",""
"7159327","7.6654","0.0006","23.1002","0.0014","12.1164","0.0009","90","","98.245","0.002","90","","2123.3","0.3","152","","152","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N3 O2 S -","- C25 H21 N3 O2 S -","- C100 H84 N12 O8 S4 -","4","1","","Huang, Chaoman; Jin, Zefeng; Zhang, Bei; Zhou, Yuanyuan; Lin, Huiting; Kang, Honglan; Shen, Guodong; Lv, Xin","One-pot synthesis of 4-(imidazol-1-yl)indole derivatives through a sequential dearomatization and Ag-catalyzed cyclization/Cs<sub>2</sub>CO<sub>3</sub>-mediated addition/aromatization reaction.","Organic & biomolecular chemistry","2023","21","20","4245","4256","10.1039/d3ob00316g","","","0.71073","MoKα","","0.0728","0.0467","","","0.1118","0.1315","","","","","","0.968","","","","has coordinates","284315","2023-06-05","04:52:20",""
"7159328","9.3963","0.0007","9.7124","0.0009","12.0714","0.001","90","","90","","90","","1101.64","0.16","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","benzo[c]tetrazolo[2,3-a]cinnoline-2-thione","benzo[c]tetrazolo[2,3-a]cinnolinium-2-thiolate","","- C13 H8 N4 S -","- C13 H8 N4 S -","- C52 H32 N16 S4 -","4","1","","Nakata, Mirai; Hirashita, Tsunehisa; Konishi, Yoshikazu; Araki, Shuki","Synthesis of stable class 5 mesoionic benzo[<i>c</i>]tetrazolo[2,3-<i>a</i>]cinnolinium thiolate, dicyanomethylide, and amides.","Organic & biomolecular chemistry","2023","21","20","4282","4289","10.1039/d3ob00362k","","","0.71075","MoKα","","","0.0374","","","","0.0653","","","","","","0.887","","","","has coordinates","284319","2023-06-05","04:52:47",""
"7159329","8.03311","0.0001","24.9979","0.0003","8.69995","0.0001","90","","99.4412","0.0012","90","","1723.38","0.04","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ray","","- C23 H16 F O2 -","- C23 H17 F O2 -","- C92 H68 F4 O8 -","4","1","","Ray, Subhasish; Yadav, Anup Kumar; Singh, Saurabh; Ansari, Monish Arbaz; Singh, Maya Shankar","Electronically-controlled diastereoselective synthesis of spirocycles <i>via</i> [4 + 2] cycloaddition of 2-arylidene-1-indenones with benzyne.","Organic & biomolecular chemistry","2023","21","20","4195","4199","10.1039/d3ob00417a","","","1.54184","CuKα","","0.0498","0.0462","","","0.1183","0.1221","","","","","","1.09","","","","has coordinates","284321","2023-06-05","04:53:06",""
"7159330","12.38262","0.00019","11.76838","0.00019","14.2059","0.0002","90","","94.2755","0.0014","90","","2064.37","0.05","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 O -","- C29 H22 O -","- C116 H88 O4 -","4","1","","Ray, Subhasish; Yadav, Anup Kumar; Singh, Saurabh; Ansari, Monish Arbaz; Singh, Maya Shankar","Electronically-controlled diastereoselective synthesis of spirocycles <i>via</i> [4 + 2] cycloaddition of 2-arylidene-1-indenones with benzyne.","Organic & biomolecular chemistry","2023","21","20","4195","4199","10.1039/d3ob00417a","","","1.54184","CuKα","","0.0427","0.0362","","","0.0924","0.097","","","","","","1.0321","","","","has coordinates","284321","2023-06-05","04:53:06",""
"7159331","12.4978","0.0004","12.7398","0.0004","26.8939","0.0008","89.765","0.002","78.137","0.002","89.937","0.002","4190.5","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H37 B31 F6 N2 S3 -","- C21 H37 B31 F6 N2 S3 -","- C84 H148 B124 F24 N8 S12 -","4","2","","Zaitsev, Andrei V.; Kiselev, Sergey S.; Smol'yakov, Alexander F.; Fedorov, Yury V.; Kononova, Elena G.; Borisov, Yurii A.; Ol'shevskaya, Valentina A.","BODIPY derivatives modified with carborane clusters: synthesis, characterization and DFT studies.","Organic & biomolecular chemistry","2023","21","19","4084","4094","10.1039/d3ob00255a","","","0.71073","MoKα","","0.1306","0.122","","","0.2832","0.287","","","","","","1.208","","","","has coordinates,has disorder","284310","2023-06-05","04:51:29",""
"7159332","12.5301","0.0003","40.7622","0.0009","12.8513","0.0003","90","","90.024","0.001","90","","6563.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 B21 F7 N2 S2 -","- C19 H26 B21 F7 N2 S2 -","- C152 H208 B168 F56 N16 S16 -","8","2","","Zaitsev, Andrei V.; Kiselev, Sergey S.; Smol'yakov, Alexander F.; Fedorov, Yury V.; Kononova, Elena G.; Borisov, Yurii A.; Ol'shevskaya, Valentina A.","BODIPY derivatives modified with carborane clusters: synthesis, characterization and DFT studies.","Organic & biomolecular chemistry","2023","21","19","4084","4094","10.1039/d3ob00255a","","","0.71073","MoKα","","0.1285","0.1256","","","0.2916","0.2928","","","","","","1.227","","","","has coordinates","284310","2023-06-05","04:51:30",""
"7159333","8.95724","0.00019","9.43219","0.00018","22.4623","0.0004","90","","90","","90","","1897.76","0.06","169.99","0.1","169.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0442","0.0388","","","0.1006","0.103","","","","","","1.094","","","","has coordinates","284320","2023-06-05","04:52:55",""
"7159334","7.75334","0.00011","12.14604","0.00019","19.62","0.0003","90","","90","","90","","1847.66","0.05","199.99","0.1","199.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0417","0.0406","","","0.1002","0.1012","","","","","","1.089","","","","has coordinates","284320","2023-06-05","04:52:55",""
"7159335","9.35263","0.00013","15.2684","0.0002","9.55302","0.00017","90","","90.5004","0.0015","90","","1364.12","0.04","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H40 O6 -","- C30 H40 O6 -","- C60 H80 O12 -","2","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0389","0.0378","","","0.0955","0.0972","","","","","","1.059","","","","has coordinates","284320","2023-06-05","04:52:55",""
"7159336","12.6389","0.0002","11.9203","0.0002","12.9914","0.0003","90","","108.143","0.002","90","","1859.97","0.06","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0442","0.04","","","0.102","0.1055","","","","","","1.028","","","","has coordinates","284320","2023-06-05","04:52:55",""
"7159337","8.929","0.003","9.985","0.003","10.178","0.003","101.361","0.006","92.022","0.007","108.738","0.007","837.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 F3 N2 O S -","- C19 H13 F3 N2 O S -","- C38 H26 F6 N4 O2 S2 -","2","1","","Wang, Wei; Qin, Zhaoliang; Zhang, Xinhui; Zhao, Wanxiang; Yang, Wen","Catalyst-free C(sp<sup>3</sup>)-H functionalization of methyl azaarenes with heteroaromatic trifluoromethyl ketone hydrates: ""all-water"" synthesis of α-trifluoromethyl tertiary alcohols.","Organic & biomolecular chemistry","2023","21","20","4304","4308","10.1039/d3ob00566f","","","0.71073","MoKα","","0.1064","0.0932","","","0.2208","0.231","","","","","","1.058","","","","has coordinates","284316","2023-06-05","04:52:26",""
"7159338","12.3698","0.0005","17.4754","0.0008","12.4146","0.0005","90","","117.668","0.002","90","","2376.76","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 Br O3 -","- C31 H21 Br O3 -","- C124 H84 Br4 O12 -","4","1","","Deng, Yi-Hang; Zhang, Chuan-Bao; Sun, Jun-Jie; Xu, Wen-Li; Fu, Ji-Ya","A regioselective [3 + 2] cycloaddition reaction of 2-benzylidene-1-indenones with functional olefins to access indanone-fused 2D/3D skeletons.","Organic & biomolecular chemistry","2023","21","21","4388","4392","10.1039/d3ob00559c","","","1.54178","CuKα","","0.1129","0.0816","","","0.202","0.2545","","","","","","1.2","","","","has coordinates","284332","2023-06-05","04:57:28",""
"7159339","22.4516","0.0005","22.4516","0.0005","7.6085","0.0002","90","","90","","90","","3835.25","0.16","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","hd_fjy21","","","- C25 H19 Cl O2 -","- C25 H19 Cl O2 -","- C200 H152 Cl8 O16 -","8","1","","Deng, Yi-Hang; Zhang, Chuan-Bao; Sun, Jun-Jie; Xu, Wen-Li; Fu, Ji-Ya","A regioselective [3 + 2] cycloaddition reaction of 2-benzylidene-1-indenones with functional olefins to access indanone-fused 2D/3D skeletons.","Organic & biomolecular chemistry","2023","21","21","4388","4392","10.1039/d3ob00559c","","","1.54178","CuKα","","0.0773","0.0466","","","0.079","0.088","","","","","","1.047","","","","has coordinates","284332","2023-06-05","04:57:28",""
"7159340","16.128","0.006","5.8764","0.0019","26.359","0.009","90","","90","","90","","2498.2","1.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C104 H104 N8 O16 S8 -","8","2","","He, Ying; Wang, Qing; Yin, Hongquan; Chen, Fu-Xue","Copper(I)-catalyzed electrophilic thiocyanation/dearomatization/spirocyclization of benzofurans to synthesize benzannulated spiroketals.","Organic & biomolecular chemistry","2023","21","20","4216","4219","10.1039/d3ob00438d","","","0.71073","MoKα","","0.2397","0.1322","","","0.2315","0.2698","","","","","","0.996","","","","has coordinates","284323","2023-06-05","04:53:21",""
"7159341","11.094","0.01","12.199","0.012","22.35","0.02","90","","90","","90","","3025","5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H17 B N2 O Si -","- C15 H17 B N2 O Si -","- C120 H136 B8 N16 O8 Si8 -","8","1","","Tomota, Kazuki; Izumi, Yuki; Nakanishi, Kazuki; Nakamoto, Masaaki; Yoshida, Hiroto","Efficient one-pot synthesis of dan-substituted organo- and silyl-boron compounds.","Organic & biomolecular chemistry","2023","21","26","5347","5350","10.1039/d3ob00613a","","","0.71073","MoKα","","0.0697","0.042","","","0.0982","0.1121","","","","","","1.024","","","","has coordinates","285516","2023-08-05","09:31:52",""
"7159342","11.814","0.01","7.317","0.007","24.063","0.019","90","","100.468","0.012","90","","2045","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 F N O3 -","- C26 H18 F N O3 -","- C104 H72 F4 N4 O12 -","4","1","","Banda, Bhanu Prasad; Medishetti, Nagaraju; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","One-pot domino synthesis of five- and six-membered fused dihydropyridines promoted by PPh<sub>3</sub>-NBS in aqueous medium.","Organic & biomolecular chemistry","2023","21","21","4434","4439","10.1039/d3ob00472d","","","0.71073","MoKα","","0.1528","0.066","","","0.1366","0.1729","","","","","","1.017","","","","has coordinates","284334","2023-06-05","04:57:41",""
"7159343","10.1865","0.0002","11.3004","0.0002","19.1635","0.0004","90","","103.307","0.002","90","","2146.71","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 F2 N3 -","- C27 H19 F2 N3 -","- C108 H76 F8 N12 -","4","1","","Guo, Honghong; Lin, Jianying; Liu, Qiang; Li, Xing","Construction of 1,2-dihydro-1,3,5-triazines <i>via</i> reactions involving amidines.","Organic & biomolecular chemistry","2023","21","20","4269","4275","10.1039/d3ob00283g","","x-ray","1.54184","CuKα","","0.0638","0.0578","","","0.1521","0.1584","","","","","","1.097","","","","has coordinates","284322","2023-06-05","04:53:14",""
"7159344","9.5634","0.0005","33.8247","0.0015","12.595","0.0007","90","","111.385","0.006","90","","3793.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 N6 -","- C46 H42 N6 -","- C184 H168 N24 -","4","1","","Guo, Honghong; Lin, Jianying; Liu, Qiang; Li, Xing","Construction of 1,2-dihydro-1,3,5-triazines <i>via</i> reactions involving amidines.","Organic & biomolecular chemistry","2023","21","20","4269","4275","10.1039/d3ob00283g","","","0.71073","MoKα","","0.1085","0.0702","","","0.1913","0.2194","","","","","","1.049","","","","has coordinates","284322","2023-06-05","04:53:14",""
"7159345","10.2906","0.0008","10.4146","0.0008","10.5305","0.0007","115.04","0.003","94.445","0.003","99.671","0.003","993.93","0.13","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C50 H62 N2 O4 -","2","1","","Harvey, Freya M.; Heidecker, Alexandra H.; Merten, Christian; Bach, Thorsten","Diastereoselective, Lewis acid-mediated Diels-Alder reactions of allenoic acid derivatives and 1,3-cyclopentadienes.","Organic & biomolecular chemistry","2023","21","21","4422","4428","10.1039/d3ob00598d","","x-ray","0.71073","MoKα","","0.0527","0.048","","","0.1224","0.1274","","","","","","1.075","","","","has coordinates","284337","2023-06-05","04:58:17",""
"7159346","10.1902","0.00011","11.29931","0.00013","21.3624","0.0003","90","","90","","90","","2459.71","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br N2 O4 -","- C27 H23 Br N2 O4 -","- C108 H92 Br4 N8 O16 -","4","1","","Li, Kuiliang; Gao, Siyu; Zha, Zhenggen; Wang, Zhiyong","Construction of chiral <i>N</i>,<i>O</i>-hemiaminals <i>via</i> a copper-catalyzed enantioselective Michael/<i>N</i>-hemiacetalization cascade reaction.","Organic & biomolecular chemistry","2023","21","21","4404","4408","10.1039/d3ob00542a","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0816","0.082","","","","","","1.074","","","","has coordinates","284333","2023-06-05","04:57:34",""
"7159347","8.4782","0.0013","14.044","0.002","14.818","0.002","90","","90","","90","","1764.3","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br2 N O2 -","- C18 H17 Br2 N O2 -","- C72 H68 Br8 N4 O8 -","4","1","","Zhang, Huaxin; Xiong, Yongge; Bai, Jiang; Yang, Ruchun; Song, Xian-Rong; Xiao, Qiang","Synthesis of <i>gem</i>-dibromo 1,3-oxazines by NBS-mediated electrophilic cyclization of propargylic amides.","Organic & biomolecular chemistry","2023","21","22","4578","4582","10.1039/d3ob00623a","","","0.71073","MoKα","","0.0424","0.0302","","","0.0599","0.0629","","","","","","0.919","","","","has coordinates","284961","2023-07-05","10:51:35",""
"7159348","12.2907","0.0004","9.6187","0.0002","29.8472","0.0007","90","","97.427","0.002","90","","3498.95","0.16","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 Cl N6 O2 -","- C39 H39 Cl N6 O2 -","- C156 H156 Cl4 N24 O8 -","4","1","","Gond, Sarita; Yadav, Pranjalee; Singh, Aayoosh; Garai, Somenath; Shekher, Anusmita; Gupta, Subash Chandra; Singh, Vinod P.","A colorimetric and 'OFF-ON' fluorometric chemosensor based on a rhodamine-pyrazole derivative for the detection of Al<sup>3+</sup>, Fe<sup>3+</sup>and Cr<sup>3+</sup>metal ions, and its intracellular application.","Organic & biomolecular chemistry","2023","21","21","4482","4490","10.1039/d3ob00434a","","","0.71073","MoKα","","0.1082","0.0732","","","0.2133","0.2474","","","","","","1.063","","","","has coordinates,has disorder","284331","2023-06-05","04:57:21",""
"7159349","9.1365","0.0002","21.846","0.0004","10.2421","0.0002","90","","116.044","0.001","90","","1836.7","0.07","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Zhang, Tao; Ni, Yifeng; Sun, Jiangtao","Copper-catalyzed reaction of benzoxazinanones with sulfilimines: access to 2-ethynyl-benzoimidazoles <i>via</i> an abnormal skeletal rearrangement.","Organic & biomolecular chemistry","2023","21","22","4583","4586","10.1039/d3ob00569k","","","1.34139","GaKα","","0.0389","0.0351","","","0.0922","0.0948","","","","","","1.05","","","","has coordinates","284966","2023-07-05","10:54:22",""
"7159350","9.1583","0.0002","21.877","0.0003","10.2542","0.0002","90","","114.233","0.002","90","","1873.46","0.07","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N3 O4 S -","- C21 H15 N3 O4 S -","- C84 H60 N12 O16 S4 -","4","1","","Zhang, Tao; Ni, Yifeng; Sun, Jiangtao","Copper-catalyzed reaction of benzoxazinanones with sulfilimines: access to 2-ethynyl-benzoimidazoles <i>via</i> an abnormal skeletal rearrangement.","Organic & biomolecular chemistry","2023","21","22","4583","4586","10.1039/d3ob00569k","","","1.54184","CuKα","","0.04","0.038","","","0.1045","0.106","","","","","","1.054","","","","has coordinates","284966","2023-07-05","10:54:22",""
"7159351","15.1655","0.0005","10.6137","0.0004","30.1233","0.001","90","","100.943","0.0017","90","","4760.5","0.3","180","","180","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 O12 S4 -","- C45.0008 H58.0018 O12.0002 S4.0002 -","- C180.003 H232.007 O48.0008 S16.0008 -","4","1","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","1.54178","CuKα","","0.0575","0.0482","","0.1345","0.1269","0.1345","","","","","","0.9864","","","","has coordinates,has disorder","284965","2023-07-05","10:53:36",""
"7159352","12.4947","0.0005","12.7653","0.0006","19.6418","0.0008","92.4959","0.0017","90.0704","0.0016","112.64","0.0015","2888.1","0.2","180","","180","","","","101","","","","","5","P -1","-P 1","2","","","","- C51.88 H70.34 Cl3.47 O12.16 S4 -","- C51.882 H70.337 Cl3.472 O12.163 S4 -","- C103.764 H140.674 Cl6.944 O24.326 S8 -","2","1","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","0.71073","MoKα","","0.0716","0.0569","","0.1685","0.1435","0.1685","","","","","","0.9965","","","","has coordinates,has disorder","284965","2023-07-05","10:53:47",""
"7159353","13.7722","0.0005","14.5337","0.0005","25.6391","0.0009","79.646","0.002","88.001","0.002","78.359","0.002","4944.5","0.3","180","","180","","","","101","","","","","4","P -1","-P 1","2","","","","- C47.18 H62.72 O12.18 S4 -","- C47.1805 H62.722 O12.1805 S4 -","- C188.722 H250.888 O48.722 S16 -","4","2","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","1.54178","CuKα","","0.0841","0.0748","","0.1911","0.1832","0.1911","","","","","","0.9947","","","","has coordinates,has disorder","284965","2023-07-05","10:53:52",""
"7159354","14.1073","0.0002","17.6934","0.0005","19.5984","0.0004","70.921","0.002","89.762","0.0014","83.5928","0.0017","4591.56","0.18","95","","95","","","","101","","","","","4","P -1","-P 1","2","","","","- C43 H52 O12 S4 -","- C43 H52 O12 S4 -","- C172 H208 O48 S16 -","4","2","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","1.54184","CuKα","","0.0588","0.0507","","0.136","0.1286","0.136","","","","","","1.001","","","","has coordinates,has disorder","284965","2023-07-05","10:54:05",""
"7159355","11.7275","0.0007","35.321","0.002","12.2803","0.0006","90","","101.324","0.0019","90","","4987.8","0.5","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C49 H64 O10 S4 -","- C49.003 H64.009 O10 S4 -","- C196.012 H256.036 O40 S16 -","4","1","","Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P","Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups.","Organic & biomolecular chemistry","2023","21","22","4620","4630","10.1039/d3ob00530e","","","0.71073","MoKα","","0.0512","0.0413","","0.104","0.0981","0.104","","","","","","1.03","","","","has coordinates,has disorder","284965","2023-07-05","10:54:10",""
"7159356","6.4411","0.0008","30.63","0.004","8.013","0.0009","90","","101.461","0.006","90","","1549.4","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","2","","Mortensen, Kim T.; Wong, Denedy S. Y.; King, Thomas A.; Sore, Hannah F.; Spring, David R.","Synthesis of sp<sup>3</sup>-rich heterocyclic frameworks by a divergent synthesis strategy.","Organic & biomolecular chemistry","2023","21","22","4591","4595","10.1039/d3ob00351e","","","1.54178","CuKα","","0.1657","0.0748","","","0.1326","0.1673","","","","","","1.006","","","","has coordinates","284962","2023-07-05","10:52:03",""
"7159357","11.1319","0.0006","12.1324","0.0006","12.4463","0.0006","68.619","0.002","81.912","0.002","65.651","0.002","1425.95","0.13","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 F3 N5 O6 S -","- C24 H32 F3 N5 O6 S -","- C48 H64 F6 N10 O12 S2 -","2","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.1261","0.0715","","","0.1884","0.2266","","","","","","1.04","","","","has coordinates","284963","2023-07-05","10:52:38",""
"7159358","8.2123","0.0004","8.7897","0.0003","30.3416","0.0012","90","","90","","90","","2190.17","0.16","193","","193","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 -","- C12 H15 N3 -","- C96 H120 N24 -","8","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.0975","0.0684","","","0.1396","0.1531","","","","","","1.154","","","","has coordinates","284963","2023-07-05","10:52:40",""
"7159359","11.3145","0.0015","4.9401","0.0006","33.363","0.004","90","","92.022","0.004","90","","1863.7","0.4","192.9","","192.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F3 N2 O -","- C21 H23 F3 N2 O -","- C84 H92 F12 N8 O4 -","4","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.1407","0.067","","","0.1408","0.1758","","","","","","1.028","","","","has coordinates","284963","2023-07-05","10:52:40",""
"7159360","13.566","0.0003","13.566","0.0003","18.1175","0.0006","90","","90","","90","","3334.28","0.15","113.15","","113.15","","","","","","","","","5","I -4","I -4","82","","(1S,2R,2'R,4R)-2'-((4-(trifluoromethyl)phenyl)amino)spiro[bicyclo[2.2.1]heptane-2,1'-cyclohexan]-3-one","","- C19 H22 F3 N O -","- C19 H22 F3 N O -","- C152 H176 F24 N8 O8 -","8","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.0405","0.0368","","","0.083","0.0859","","","","","","1.037","","","","has coordinates","284963","2023-07-05","10:52:40",""
"7159361","15.245","0.004","18.74","0.005","8.084","0.002","90","","100.44","0.007","90","","2271.3","1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H17 N O2 S2 -","- C31 H17 N O2 S2 -","- C124 H68 N4 O8 S8 -","4","0.5","","Ammon, Erich; Heine, Paul; Cordero, Miguel Andre Argüello; Lochbrunner, Stefan; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Dibenzoacridines: synthesis by alkyne-carbonyl-metathesis and properties.","Organic & biomolecular chemistry","2023","21","21","4504","4517","10.1039/d3ob00407d","","","0.71073","MoKα","","0.0667","0.046","","","0.113","0.1265","","","","","","1.025","","","","has coordinates","284336","2023-06-05","04:57:58",""
"7159362","7.2154","0.0011","12.0896","0.0017","27.443","0.004","90","","96.196","0.004","90","","2379.9","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H21 N O2 -","- C35 H21 N O2 -","- C140 H84 N4 O8 -","4","1","","Ammon, Erich; Heine, Paul; Cordero, Miguel Andre Argüello; Lochbrunner, Stefan; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Dibenzoacridines: synthesis by alkyne-carbonyl-metathesis and properties.","Organic & biomolecular chemistry","2023","21","21","4504","4517","10.1039/d3ob00407d","","","0.71073","MoKα","","0.0816","0.0518","","","0.1252","0.1449","","","","","","1.015","","","","has coordinates","284336","2023-06-05","04:58:08",""
"7159363","10.0642","0.0007","7.3128","0.0005","23.5961","0.0016","90","","97.735","0.002","90","","1720.8","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Das, Jonali; Gogoi, Abhijit; Borah, Biraj Jyoti; Das, Sajal Kumar","An epoxide-opening cyclization/double Smiles rearrangement cascade approach to <i>N</i>-aryl-1,4-benzoxazines and <i>N</i>-arylindolines.","Organic & biomolecular chemistry","2023","21","23","4755","4759","10.1039/d3ob00440f","","","0.71073","MoKα","","0.0412","0.0343","","","0.0833","0.0868","","","","","","0.989","","","","has coordinates","284970","2023-07-05","10:56:16",""
"7159364","10.1807","0.0003","21.2316","0.0005","16.3707","0.0004","90","","104.958","0.003","90","","3418.67","0.16","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 F6 N4 -","- C16 H10 F6 N4 -","- C128 H80 F48 N32 -","8","1","","Lin, Bo; Yao, Yunfei; Wu, Minze; Qin, Lu; Chen, Shouxiong; You, Yi; Weng, Zhiqiang","Synthesis of 2-trifluoromethyl benzimidazoles, benzoxazoles, and benzothiazoles <i>via</i> condensation of diamines or amino(thio)phenols with CF<sub>3</sub>CN.","Organic & biomolecular chemistry","2023","21","23","4788","4793","10.1039/d3ob00517h","","x-ray","1.54184","CuKα","","0.1253","0.0998","","","0.2869","0.3057","","","","","","1.07","","","","has coordinates,has disorder","284971","2023-07-05","10:57:01",""
"7159365","29.3359","0.0004","9.2413","0.0001","38.2126","0.0006","90","","90.052","0.001","90","","10359.5","0.2","293","2","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H8 Br F3 N4 -","- C8 H8 Br F3 N4 -","- C256 H256 Br32 F96 N128 -","32","8","","Lin, Bo; Yao, Yunfei; Wu, Minze; Qin, Lu; Chen, Shouxiong; You, Yi; Weng, Zhiqiang","Synthesis of 2-trifluoromethyl benzimidazoles, benzoxazoles, and benzothiazoles <i>via</i> condensation of diamines or amino(thio)phenols with CF<sub>3</sub>CN.","Organic & biomolecular chemistry","2023","21","23","4788","4793","10.1039/d3ob00517h","","","1.54178","CuKα","","0.1346","0.1209","","","0.344","0.3618","","","","","","1.414","","","","has coordinates","284971","2023-07-05","10:57:16",""
"7159366","6.5034","0.0009","20.107","0.003","9.4107","0.0013","90","","108.768","0.006","90","","1165.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Samuel Rajan, Ida Angel Priya; Rajendran, Saravanakumar","Amidic resonance not a barrier for transamidation of <i>N</i>-pivaloyl activated amides: catalyst, base and additive free conditions.","Organic & biomolecular chemistry","2023","21","23","4760","4765","10.1039/d3ob00418j","","","0.71073","MoKα","","0.06","0.0451","","","0.1087","0.1162","","","","","","1.068","","","","has coordinates","284969","2023-07-05","10:55:41",""
"7159367","8.6369","0.0001","15.1727","0.0002","13.7486","0.0002","90","","92.342","0.001","90","","1800.18","0.04","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","(1R,2R)-N,N?-Bis(salicylidene)-1,2-cyclohexanediaminoiron(III) chloride","","- C20 H20 Cl Fe N2 O2 -","- C20 H20 Cl Fe N2 O2 -","- C80 H80 Cl4 Fe4 N8 O8 -","4","2","","Hansen, Nicolai S. B.; Monda, Fabrizio; Bro, Frederik Simonsen; Liu, Xiyue; Ahlquist, Mårten S G; Madsen, Robert","Development and mechanistic investigation of the dehydrogenation of alcohols with an iron(III) salen catalyst.","Organic & biomolecular chemistry","2023","21","23","4794","4800","10.1039/d3ob00466j","","x-ray","1.54184","CuKα","","0.0279","0.0266","","","0.0682","0.0691","","","","","","1.037","","","","has coordinates","284973","2023-07-05","10:58:18",""
"7159368","8.6002","0.0016","15.401","0.003","10.5083","0.0019","90","","92.277","0.005","90","","1390.7","0.5","298.15","","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 N O P -","- C34 H32 N O P -","- C68 H64 N2 O2 P2 -","2","1","","Su, Qin; Hou, Chuan-Jin; Wei, De-Quan; Qin, Hao; Liang, Ding-Hua; Hu, Xiang-Ping","New P,N<sub>sp3</sub> ligands for palladium-catalyzed asymmetric allylic substitutions.","Organic & biomolecular chemistry","2023","21","23","4874","4880","10.1039/d3ob00519d","","","1.54178","CuKα","","0.0291","0.0289","","","0.0788","0.079","","","","","","1.039","","","","has coordinates","284972","2023-07-05","10:57:47",""
"7159369","12.798","0.0002","18.4962","0.0003","8.688","0.0001","90","","91.838","0.0014","90","","2055.52","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 F N O6 -","- C22 H22 F N O6 -","- C88 H88 F4 N4 O24 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0436","0.0381","","0.1043","0.0977","0.1043","","","","","","0.9978","","","","has coordinates","284974","2023-07-05","10:59:32",""
"7159370","8.2739","0.0004","10.4856","0.0006","13.0102","0.0007","85.539","0.004","72.759","0.005","69.075","0.005","1006.41","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F N O6 -","- C22 H22 F N O6 -","- C44 H44 F2 N2 O12 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0606","0.0427","","0.1125","0.0987","0.1121","","","","","","0.9969","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159371","7.7501","0.0002","11.9848","0.0003","13.8497","0.0003","99.82","0.002","100.855","0.002","94.018","0.002","1237.92","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 F2 N2 O4 -","- C28 H28 F2 N2 O4 -","- C56 H56 F4 N4 O8 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0361","0.0336","","0.0911","0.0886","0.0911","","","","","","1.0021","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159372","18.3885","0.0004","8.1423","0.0001","19.1867","0.0005","90","","117.342","0.003","90","","2551.78","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O4 -","- C30 H34 N2 O4 -","- C120 H136 N8 O16 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0528","0.0464","","0.1352","0.1312","0.123","","","","","","1.0137","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159373","10.8376","0.0004","16.1029","0.0005","14.4057","0.0005","90","","106.348","0.004","90","","2412.39","0.15","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0581","0.0438","","0.1175","0.1043","0.1167","","","","","","1.0052","","","","has coordinates,has disorder","284974","2023-07-05","10:59:35",""
"7159374","9.4512","0.0001","11.0365","0.0002","28.8706","0.0004","90","","93.6424","0.0014","90","","3005.36","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 N2 O7 -","- C33 H36 N2 O7 -","- C132 H144 N8 O28 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0417","0.0347","","0.0927","0.0854","0.0927","","","","","","1.0011","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159375","9.7028","0.0003","10.3166","0.0002","17.6915","0.0004","78.751","0.002","76.109","0.002","69.254","0.002","1595.8","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H40 N2 O9 -","- C35 H40 N2 O9 -","- C70 H80 N4 O18 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0351","0.0321","","0.0842","0.0811","0.0836","","","","","","0.9937","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159376","20.3461","0.0007","7.4845","0.0002","20.4659","0.0007","90","","108.544","0.004","90","","2954.74","0.18","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N2 O4 -","- C36 H34 N2 O4 -","- C144 H136 N8 O16 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0737","0.0544","","0.1504","0.1329","0.1504","","","","","","1.0153","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159377","9.9393","0.0002","12.8109","0.0007","13.7065","0.0006","72.892","0.004","83.254","0.003","82.124","0.003","1646.81","0.13","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H42 N2 O7 -","- C36 H42 N2 O7 -","- C72 H84 N4 O14 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0465","0.0422","","0.1117","0.1068","0.1117","","","","","","1.0023","","","","has coordinates,has disorder","284974","2023-07-05","10:59:35",""
"7159378","10.1492","0.0004","11.6174","0.0006","11.7103","0.0005","80.333","0.004","72.281","0.004","86.447","0.004","1296.47","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cl2 N2 O4 -","- C28 H28 Cl2 N2 O4 -","- C56 H56 Cl4 N4 O8 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0367","0.0336","","0.089","0.0858","0.089","","","","","","0.9936","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159379","11.9604","0.0001","10.7261","0.0001","23.5537","0.0002","90","","95.4393","0.0007","90","","3008.06","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 F2 N2 O7 -","- C33 H34 F2 N2 O7 -","- C132 H136 F8 N8 O28 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0451","0.043","","0.1179","0.1149","0.1179","","","","","","1.0022","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159380","10.268","0.0004","11.6652","0.0004","11.8384","0.0004","80.247","0.003","71.111","0.003","86.325","0.003","1322.17","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Br2 N2 O4 -","- C28 H28 Br2 N2 O4 -","- C56 H56 Br4 N4 O8 -","2","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0274","0.0251","","0.0665","0.0644","0.0665","","","","","","1.0078","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159381","9.7168","0.0001","11.1041","0.0001","28.6225","0.0003","90","","92.0001","0.001","90","","3086.38","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 F2 N2 O7 -","- C33 H34 F2 N2 O7 -","- C132 H136 F8 N8 O28 -","4","1","","Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","23","4801","4809","10.1039/d3ob00594a","","","1.54184","CuKα","","0.0437","0.0374","","0.1018","0.095","0.1018","","","","","","1.0056","","","","has coordinates","284974","2023-07-05","10:59:35",""
"7159382","8.2381","0.0002","9.8787","0.0003","25.0484","0.0006","90.026","0.002","92.03","0.002","91.303","0.002","2036.67","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O9 S2 -","- C18 H18 N2 O9 S2 -","- C72 H72 N8 O36 S8 -","4","2","","Wade, Peter A.; Tandon, Ruchi; Carroll, Patrick J.","Cyclic β-hydroxy-α-nitrosulfone isomers readily interconvert <i>via</i> open-chain aldehyde forms.","Organic & biomolecular chemistry","2023","21","24","5033","5039","10.1039/d3ob00349c","","x-ray","1.54184","CuKα","","0.0579","0.0554","","","0.1538","0.1561","","","","","","1.063","","","","has coordinates","284956","2023-07-05","10:48:34",""
"7159383","5.6195","0.0005","18.5139","0.0015","12.9119","0.001","90","","99.887","0.003","90","","1323.39","0.19","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 N2 -","- C16 H11 F3 N2 -","- C64 H44 F12 N8 -","4","1","","Zhang, Nan; Ma, Hai; Cheung, Chi Wai; Zhang, Fa-Guang; Jasiński, Marcin; Ma, Jun-An; Nie, Jing","Regioselective [3 + 2] cycloaddition of di/trifluoromethylated hydrazonoyl chlorides with fluorinated nitroalkenes: a facile access to 3-di/trifluoroalkyl-5-fluoropyrazoles.","Organic & biomolecular chemistry","2023","21","24","5040","5045","10.1039/d3ob00644a","","x-ray","0.71073","MoKα","","0.0819","0.0465","","","0.0961","0.1091","","","","","","1.027","","","","has coordinates","284957","2023-07-05","10:48:42",""
"7159384","28.851","0.0017","15.3005","0.0009","12.0037","0.0007","90","","96.747","0.002","90","","5262.2","0.5","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C65 H63 F N3 O6 Rh -","- C61 H55 F N3 O4 Rh -","- C244 H220 F4 N12 O16 Rh4 -","4","1","","Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.","Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","24","5014","5020","10.1039/d3ob00735a","","","1.54178","CuKα","","0.0583","0.0506","","","0.1296","0.134","","","","","","1.043","","","","has coordinates","284960","2023-07-05","10:50:42",""
"7159385","6.7321","0.0002","9.8995","0.0003","41.9029","0.0012","90","","90","","90","","2792.59","0.14","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O7 -","- C32 H40 O7 -","- C128 H160 O28 -","4","1","","Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.","Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","24","5014","5020","10.1039/d3ob00735a","","","1.54178","CuKα","","0.0622","0.0505","","","0.1025","0.1059","","","","","","1.199","","","","has coordinates","284960","2023-07-05","10:50:47",""
"7159386","6.4651","0.0002","9.9755","0.0003","41.8034","0.0012","90","","90","","90","","2696.01","0.14","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O7 -","- C31 H38 O7 -","- C124 H152 O28 -","4","1","","Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.","Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","24","5014","5020","10.1039/d3ob00735a","","","1.54178","CuKα","","0.03","0.0285","","","0.0694","0.0704","","","","","","1.09","","","","has coordinates","284960","2023-07-05","10:50:51",""
"7159387","14.5478","0.0012","9.6153","0.0008","10.2086","0.0009","90","","101.992","0.004","90","","1396.8","0.2","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F3 N3 O -","- C16 H10 F3 N3 O -","- C64 H40 F12 N12 O4 -","4","1","","Chi, Rong; Wu, Jia-Xue; Li, Da-Cheng; Dou, Jian-Min; Wang, Huai-Wei","Rh<sup>III</sup>-promoted directed C-H N-heteroarylation of 2-pyridones.","Organic & biomolecular chemistry","2023","21","25","5288","5296","10.1039/d3ob00578j","","","0.71073","MoKα","","0.1186","0.077","","","0.2114","0.2344","","","","","","1.101","","","","has coordinates","284968","2023-07-05","10:55:06",""
"7159388","10.2811","0.0005","14.3963","0.0006","10.3695","0.0004","90","","116.722","0.001","90","","1370.87","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 F3 N2 O2 S -","- C13 H13 F3 N2 O2 S -","- C52 H52 F12 N8 O8 S4 -","4","1","","Prasad, Madavi S.; Bharani, Sankar; Sivaprakash, Murugesan; Vadivelu, Prabha; Kumar, Durairajan Siva Sundara; Chowhan, L. Raju","<i>N</i>-2,2,2-Trifluoroethylisatin ketimine as a 1,2-dipolarophile for [3 + 2]-addition to access optically pure spirothiazolidine oxindoles.","Organic & biomolecular chemistry","2023","21","24","4972","4976","10.1039/d3ob00685a","","","0.71073","MoKα","","0.0605","0.046","","","0.113","0.125","","","","","","1.039","","","","has coordinates","284954","2023-07-05","10:48:19",""
"7159389","5.5623","0.0011","18.321","0.003","9.2234","0.0017","90","","91.534","0.016","90","","939.6","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 F3 N O -","- C10 H8 F3 N O -","- C40 H32 F12 N4 O4 -","4","2","","Wang, Nana; Du, Youlong; Mei, Haibo; Escorihuela, Jorge; Han, Jianlin","A Cu-promoted reaction of β-keto trifluoromethyl amines enabling stereoselective synthesis of trifluoromethylated aziridines.","Organic & biomolecular chemistry","2023","21","24","4988","4992","10.1039/d3ob00714f","","x-ray","0.71073","MoKα","","0.1106","0.0903","","","0.2458","0.2699","","","","","","1.053","","","","has coordinates","284955","2023-07-05","10:48:26",""
"7159390","14.636","0.003","9.854","0.002","16.905","0.003","90","","96.34","0.03","90","","2423.2","0.8","290","","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N2 O5 S -","- C27 H24 N2 O5 S -","- C108 H96 N8 O20 S4 -","4","1","","Yavari, Issa; Mohsenzadeh, Ramin; Ravaghi, Parisa; Safaei, Maryam","Synthesis of pyrrolidin-2-ylidenes and pyrrol-2-ylidenes <i>via</i> 1,3-dipolar cycloaddition of H-bond-assisted azomethine ylides to nitrostyrenes.","Organic & biomolecular chemistry","2023","21","25","5265","5273","10.1039/d3ob00725a","","x-ray","0.71073","MoKα","","0.0627","0.0591","","","0.1577","0.1609","","","","","","1.16","","","","has coordinates","284967","2023-07-05","10:54:56",""
"7159391","8.5856","0.0001","12.1115","0.0001","21.1498","0.0001","90","","90","","90","","2199.25","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N3 O6 S -","- C22 H21 N3 O6 S -","- C88 H84 N12 O24 S4 -","4","1","","Lin, Xing; Zhang, Dajun; Li, Jing; Zhang, Lei","Catalyst- and solvent-free regioselective ring opening of aziridines with amines: application in the gram-scale synthesis of the α,β-diamino propionic derivative, aspergillomarasmine A.","Organic & biomolecular chemistry","2023","21","24","4977","4981","10.1039/d3ob00722g","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0682","0.0683","","","","","","1.041","","","","has coordinates","284958","2023-07-05","10:49:00",""
"7159392","10.3479","0.0003","10.5057","0.0003","11.7663","0.0003","93.409","0.002","114.609","0.003","95.175","0.002","1151.55","0.06","299.07","","299.07","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O5 S -","- C24 H25 N O5 S -","- C48 H50 N2 O10 S2 -","2","1","","Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.","(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.","Organic & biomolecular chemistry","2023","21","24","5021","5032","10.1039/d3ob00597f","","x-ray","0.71073","MoKα","","0.1099","0.0656","","","0.1731","0.2083","","","","","","1.041","","","","has coordinates","284959","2023-07-05","10:49:30",""
"7159393","11.7617","0.0004","21.8252","0.0008","9.9033","0.0003","90","","107.445","0.004","90","","2425.26","0.15","300.7","","300.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N O6 -","- C27 H29 N O6 -","- C108 H116 N4 O24 -","4","1","","Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.","(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.","Organic & biomolecular chemistry","2023","21","24","5021","5032","10.1039/d3ob00597f","","x-ray","0.71073","MoKα","","0.1003","0.0546","","","0.1344","0.1573","","","","","","1.053","","","","has coordinates","284959","2023-07-05","10:49:34",""
"7159394","8.239","0.0002","8.5305","0.0002","12.8575","0.0003","72.914","0.002","83.275","0.002","75.314","0.002","834.67","0.04","297.1","","297.1","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C42 H36 O8 -","2","1","","Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.","(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.","Organic & biomolecular chemistry","2023","21","24","5021","5032","10.1039/d3ob00597f","","x-ray","0.71073","MoKα","","0.0538","0.0416","","","0.1079","0.117","","","","","","1.053","","","","has coordinates","284959","2023-07-05","10:49:45",""
"7159395","10.5236","0.0003","11.4554","0.0005","12.9859","0.0004","100.268","0.003","113.577","0.003","98.024","0.003","1372.68","0.1","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N2 O3 -","- C36 H28 N2 O3 -","- C72 H56 N4 O6 -","2","1","","Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.","(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.","Organic & biomolecular chemistry","2023","21","24","5021","5032","10.1039/d3ob00597f","","x-ray","0.71073","MoKα","","0.276","0.1228","","","0.2528","0.4444","","","","","","1.042","","","","has coordinates","284959","2023-07-05","10:50:11",""
"7159396","5.7583","0.0002","10.0636","0.0004","12.6561","0.0005","66.988","0.001","86.953","0.001","87.639","0.001","673.93","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl6 F4 N2 O2 -","- C22 H22 Cl6 F4 N2 O2 -","- C22 H22 Cl6 F4 N2 O2 -","1","0.5","","Žabka, Matej; Clayden, Jonathan","Conformational preference in difluoroacetamide oligomers: probing the potential for foldamers with C-H⋯O hydrogen bonds.","Organic & biomolecular chemistry","2023","21","29","5939","5943","10.1039/d3ob00811h","","x-ray","0.71073","MoKα","","0.033","0.03","","","0.0676","0.0693","","","","","","1.032","","","","has coordinates","285496","2023-08-05","09:28:16",""
"7159397","11.1141","0.0004","14.4848","0.0006","20.8204","0.0008","90","","90","","90","","3351.8","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C160 H168 N8 O24 -","8","1","","Tian, Guang; Jin, Wei-Li; Qin, Chuanguang; Wang, Jie","Convenient synthesis of <i>N</i>-alkyl-3,1-benzoxazin-2-ones from carbamate protected anthranil aldehydes and ketones <i>via</i> one-step alkylation/alkoxy rearrangement.","Organic & biomolecular chemistry","2023","21","28","5757","5761","10.1039/d3ob00812f","","","0.71073","MoKα","","0.0631","0.0401","","","0.088","0.1033","","","","","","1.043","","","","has coordinates","285507","2023-08-05","09:30:09",""
"7159398","16.649","0.0011","6.3815","0.0005","18.6164","0.0012","90","","95.783","0.002","90","","1967.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Xu, Shiji; Wang, Qiang; Sun, Jing; Han, Ying; Hu, Weiming; Wang, Lei; Yan, Chao-Guo","Pd/Cu-catalyzed cascade Heck-type reactions of alkenyl halides with terminal alkynes toward substituted pyrrolidine analogues.","Organic & biomolecular chemistry","2023","21","28","5742","5746","10.1039/d3ob00740e","","","0.71073","MoKα","","0.0827","0.0479","","","0.1058","0.1214","","","","","","1.04","","","","has coordinates","285506","2023-08-05","09:29:55",""
"7159399","10.3448","0.0006","12.6474","0.0007","13.0332","0.0008","61.943","0.002","71.66","0.002","74.099","0.002","1412.12","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 Cl O3 S2 -","- C32 H35 Cl O3 S2 -","- C64 H70 Cl2 O6 S4 -","2","1","","Singh, Surya Pratap; Arora, Shivani; Bhardwaj, Prashant Kumar; Singh, Anand","Annulation of quinone methides with 2-benzylidene dithiolanes: synthesis of spirochroman dithiolanes.","Organic & biomolecular chemistry","2023","21","24","4962","4966","10.1039/d3ob00583f","","","0.71073","MoKα","","0.0774","0.0542","","","0.1037","0.1166","","","","","","1.108","","","","has coordinates","284651","2023-06-29","13:18:14",""
"7159400","8.2209","0.0003","8.5666","0.0003","13.7435","0.0005","81.561","0.001","75.998","0.001","63.768","0.001","841.53","0.05","103","","103","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C42 H34 N2 O8 -","2","1","","Sarkar, Anindita; Saha, Moumita; Das, Asish R.","Ru(II) catalyzed chelation assisted C(sp<sup>2</sup>)-H bond functionalization along with concomitant (4 + 2) annulation.","Organic & biomolecular chemistry","2023","21","27","5567","5586","10.1039/d3ob00828b","","","1.54178","CuKα","","0.0528","0.0517","","","0.1378","0.1389","","","","","","1.059","","","","has coordinates","285511","2023-08-05","09:31:06",""
"7159401","8.8223","0.0007","11.0053","0.0008","11.6572","0.0008","111.556","0.003","101.505","0.003","99.774","0.003","994.15","0.13","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C46 H44 N4 O4 S2 -","2","1","","Sarkar, Anindita; Saha, Moumita; Das, Asish R.","Ru(II) catalyzed chelation assisted C(sp<sup>2</sup>)-H bond functionalization along with concomitant (4 + 2) annulation.","Organic & biomolecular chemistry","2023","21","27","5567","5586","10.1039/d3ob00828b","","","1.54178","CuKα","","0.0733","0.0685","","","0.1927","0.2001","","","","","","1.088","","","","has coordinates","285511","2023-08-05","09:31:06",""
"7159402","18.0446","0.0006","11.8808","0.0004","11.2129","0.0004","90","","94.5198","0.0012","90","","2396.39","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H21 F N4 -","- C34 H21 F N4 -","- C136 H84 F4 N16 -","4","0.5","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0394","0.0377","","","0.1028","0.105","","","","","","1.012","","","","has coordinates","284653","2023-06-29","13:21:59",""
"7159403","4.1687","0.0002","12.4116","0.0007","15.8272","0.0009","68.5349","0.0018","85.512","0.002","81.5452","0.0019","753.56","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Br F N2 -","- C20 H12 Br F N2 -","- C40 H24 Br2 F2 N4 -","2","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0312","0.0298","","","0.0811","0.0825","","","","","","1.079","","","","has coordinates","284653","2023-06-29","13:22:03",""
"7159404","7.3882","0.0002","9.8687","0.0003","21.9346","0.0006","93.6965","0.0006","93.9425","0.0006","101.977","0.0006","1555.69","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Br F N2 -","- C20 H12 Br F N2 -","- C80 H48 Br4 F4 N8 -","4","2","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0283","0.0271","","","0.0751","0.0758","","","","","","1.046","","","","has coordinates","284653","2023-06-29","13:22:15",""
"7159405","16.4004","0.001","4.9641","0.0003","19.8649","0.0012","90","","107.562","0.0018","90","","1541.88","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Bromo-5-fluoro-2,4-diphenylquinazoline","","- C20 H12 Br F N2 -","- C20 H12 Br F N2 -","- C80 H48 Br4 F4 N8 -","4","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0421","0.0412","","","0.1008","0.1013","","","","","","1.195","","","","has coordinates,has disorder","284653","2023-06-29","13:22:31",""
"7159406","11.6106","0.0002","13.7588","0.0003","17.4536","0.0004","109.387","0.0008","98.5209","0.0008","93.7331","0.0008","2581.46","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H37 F2 N7 -","- C61 H37 F2 N7 -","- C122 H74 F4 N14 -","2","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0459","0.0426","","","0.1093","0.1128","","","","","","1.003","","","","has coordinates","284653","2023-06-29","13:22:33",""
"7159407","16.0104","0.0004","11.8607","0.0003","18.9342","0.0005","90","","102.641","0.0009","90","","3508.35","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H28 F3 N5 -","- C47 H28 F3 N5 -","- C188 H112 F12 N20 -","4","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0428","0.0392","","","0.1093","0.1154","","","","","","1.054","","","","has coordinates","284653","2023-06-29","13:22:37",""
"7159408","13.4479","0.0004","14.709","0.0004","23.9088","0.0007","90","","93.8572","0.0013","90","","4718.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9'-(2,4-diphenylquinazolin-5-yl)-9'H-9,3':6',9''-tercarbazole","","- C56 H35 N5 -","- C56 H35 N5 -","- C224 H140 N20 -","4","1","","Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit","<i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.","Organic & biomolecular chemistry","2023","21","25","5297","5304","10.1039/d3ob00741c","","","1.54178","CuKα","","0.0608","0.0558","","","0.1716","0.1771","","","","","","1.054","","","","has coordinates","284653","2023-06-29","13:22:52",""
"7159409","25.755","0.003","6.9641","0.0008","8.7584","0.001","90","","94.153","0.004","90","","1566.8","0.3","273.15","","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H12 F3 N O2 S -","- C17 H12 F3 N O2 S -","- C68 H48 F12 N4 O8 S4 -","4","1","","Wang, Wei; Qin, Zhaoliang; Tan, Ze; Yang, Wen","Organocatalytic enantioselective cross-aldol reaction of aryl ketones with heteroaromatic trifluoromethyl ketone hydrates for the synthesis of α-trifluoromethyl tertiary alcohols.","Organic & biomolecular chemistry","2023","21","25","5234","5239","10.1039/d3ob00619k","","","0.71073","MoKα","","0.0279","0.0275","","","0.0699","0.0702","","","","","","1.077","","","","has coordinates","284654","2023-06-29","13:24:06",""
"7159410","13.3009","0.0003","11.1099","0.0003","19.7682","0.0005","90","","93.282","0.002","90","","2916.39","0.13","258","","258","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 N O4 S -","- C34 H31 N O4 S -","- C136 H124 N4 O16 S4 -","4","1","","Sahoo, Aradhana; Dutta, Shubham; Sahoo, Akhila K.","Two-component symmetrical diarylation of ynamides","Organic & Biomolecular Chemistry","2023","21","28","5737","5741","10.1039/D3OB00793F","","x-ray","0.71073","MoKα","","0.1104","0.0568","","","0.1325","0.166","","","","","","1.02","","","","has coordinates","285505","2023-08-05","09:29:49",""
"7159411","15.0723","0.0004","9.1985","0.0003","16.7522","0.0004","90","","92.202","0.002","90","","2320.85","0.11","297.92","","297.92","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 F6 N O4 -","- C25 H17 F6 N O4 -","- C100 H68 F24 N4 O16 -","4","1","","Sahoo, Aradhana; Dutta, Shubham; Sahoo, Akhila K.","Two-component symmetrical diarylation of ynamides","Organic & Biomolecular Chemistry","2023","21","28","5737","5741","10.1039/D3OB00793F","","x-ray","0.71073","MoKα","","0.1091","0.0876","","","0.2657","0.2919","","","","","","1.114","","","","has coordinates","285505","2023-08-05","09:29:49",""
"7159412","8.6585","0.001","6.8558","0.0008","12.0392","0.0014","90","","103.052","0.004","90","","696.2","0.14","149.77","","149.77","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Šlachtová, Veronika; Casaretto, Nicolas; Brulíková, Lucie; Six, Yvan","Bicyclic <i>N</i>-dihalocyclopropylamide derivatives as precursors of nitrogen-containing fused polycyclic systems.","Organic & biomolecular chemistry","2023","21","31","6325","6341","10.1039/d3ob00643c","","","0.71073","MoKα","","0.0631","0.0491","","","0.1262","0.1352","","","","","","1.037","","","","has coordinates,has disorder","286192","2023-09-05","20:23:12",""
"7159413","6.7519","0.0006","15.0413","0.0013","24.732","0.002","90","","90","","90","","2511.7","0.4","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cl N2 O -","- C14 H13 Cl N2 O -","- C112 H104 Cl8 N16 O8 -","8","1","","Vaskevych, Alla I.; Savinchuk, Nataliia O.; Vaskevych, Ruslan I.; Shishkina, Svitlana V.; Vovk, Mykhailo V.","Pd-catalyzed oxidative amination of 2-alkenylquinazolin-4(3H)-ones: synthesis of methylene and vinyl derivatives of pyrrolo(pyrido)[2,1-b]quinazolinones","Organic & Biomolecular Chemistry","2023","21","28","5866","5872","10.1039/D3OB00834G","","","0.71073","MoKα","","0.0622","0.0466","","","0.105","0.1169","","","","","","1.087","","","","has coordinates","285508","2023-08-05","09:30:15",""
"7159414","20.0518","0.0004","10.0983","0.0002","10.6704","0.0003","90","","104.628","0.001","90","","2090.6","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-benzylidene-4-(4-methoxyphenyl)-3-(4-(trifluoromethyl)benzyl)oxazolidin-2-one","","- C25 H20 F3 N O3 -","- C25 H20 F3 N O3 -","- C100 H80 F12 N4 O12 -","4","1","","Egashira, Mayumi; Chen, Hsiu-Hui","Highly efficient fixation of carbon dioxide into 2-oxazolidinones under mild conditions by using a reusable ionic liquid/CuI catalyst system.","Organic & biomolecular chemistry","2023","21","26","5377","5381","10.1039/d3ob00698k","","","0.71073","MoKα","","0.0875","0.0571","","","0.1411","0.1651","","","","","","1.03","","","","has coordinates,has disorder","285517","2023-08-05","09:31:59",""
"7159415","11.6847","0.0003","13.9633","0.0003","23.2986","0.0006","90","","90","","90","","3801.33","0.16","213","","213","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O6 -","- C23 H17 N O6 -","- C184 H136 N8 O48 -","8","1","","Huang, Tingzhong; Shao, Ying; Tang, Shengbiao; Sun, Jiangtao","Gold-catalyzed tandem reaction of <i>o</i>-alkynylphenols with diazo compounds: access to 2,3-disubstituted benzofurans.","Organic & biomolecular chemistry","2023","21","28","5752","5756","10.1039/d3ob00893b","","","1.34139","GaKα","","0.0525","0.0433","","","0.1405","0.1499","","","","","","1.192","","","","has coordinates","285509","2023-08-05","09:30:24",""
"7159416","9.4331","0.0002","11.3391","0.0002","17.036","0.0003","90","","96.516","0.001","90","","1810.45","0.06","214","","214","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O6 -","- C23 H17 N O6 -","- C92 H68 N4 O24 -","4","1","","Huang, Tingzhong; Shao, Ying; Tang, Shengbiao; Sun, Jiangtao","Gold-catalyzed tandem reaction of <i>o</i>-alkynylphenols with diazo compounds: access to 2,3-disubstituted benzofurans.","Organic & biomolecular chemistry","2023","21","28","5752","5756","10.1039/d3ob00893b","","","1.34139","GaKα","","0.0543","0.0401","","","0.0988","0.1064","","","","","","1.062","","","","has coordinates","285509","2023-08-05","09:30:31",""
"7159417","6.1674","0.0001","28.3059","0.0004","7.817","0.0001","90","","111.001","0.002","90","","1274","0.04","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H38 N2 O7 -","- C27 H38 N2 O7 -","- C54 H76 N4 O14 -","2","1","","Xiao, Wen; Wang, Su-Jing; Yu, Ming-Zhu; Zhang, Xue-Jie; Xiang, Zheng","Chemoenzymatic synthesis of (+)-isoagatholactone, (+)-spongian-16-one, and 3-deoxychavalone A <i>via</i> biocatalytic polyene cyclization.","Organic & biomolecular chemistry","2023","21","27","5527","5531","10.1039/d3ob00206c","","","1.54184","CuKα","","0.0408","0.039","","","0.1066","0.1111","","","","","","1.056","","","","has coordinates","285515","2023-08-05","09:31:28",""
"7159418","19.2","0.002","5.3821","0.0005","32.153","0.004","90","","98.636","0.009","90","","3284.9","0.6","293","2","293","2","","","","","","","","4","I 1 2 1","I 2y","5","","1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-(R)-5-benzyloxyazepan-2-one","","- C34 H34 N O7 -","- C34 H34 N O7 -","- C136 H136 N4 O28 -","4","1","","Kurup, Harikrishnan M.; Kvach, Maksim V.; Harjes, Stefan; Jameson, Geoffrey B.; Harjes, Elena; Filichev, Vyacheslav V.","Seven-membered ring nucleobases as inhibitors of human cytidine deaminase and APOBEC3A.","Organic & biomolecular chemistry","2023","21","24","5117","5128","10.1039/d3ob00392b","","","1.54187","CuKα","","0.1303","0.0693","","","0.1842","0.2434","","","","","","0.914","","","","has coordinates","284661","2023-06-29","13:36:57",""
"7159419","33.3058","0.0016","5.5217","0.0003","17.9538","0.0008","90","","106.418","0.002","90","","3167.2","0.3","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-(S)-5-benzyloxyazepan-2-one","","- C34 H37 N O7 -","- C34 H37 N O7 -","- C136 H148 N4 O28 -","4","1","","Kurup, Harikrishnan M.; Kvach, Maksim V.; Harjes, Stefan; Jameson, Geoffrey B.; Harjes, Elena; Filichev, Vyacheslav V.","Seven-membered ring nucleobases as inhibitors of human cytidine deaminase and APOBEC3A.","Organic & biomolecular chemistry","2023","21","24","5117","5128","10.1039/d3ob00392b","","","1.54178","CuKα","","0.0582","0.0536","","","0.1439","0.1481","","","","","","1.078","","","","has coordinates","284661","2023-06-29","13:37:26",""
"7159420","5.8957","0.0008","19.877","0.003","20.288","0.003","90","","90","","90","","2377.5","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 S2 -","- C22 H25 N O2 S2 -","- C88 H100 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.1253","0.1133","","","0.2653","0.2722","","","","","","1.136","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159421","6.0206","0.0004","18.0652","0.0012","9.4916","0.0007","90","","100.221","0.003","90","","1015.96","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 N O2 S2 -","- C20 H29 N O2 S2 -","- C40 H58 N2 O4 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0355","0.0318","","","0.0769","0.0804","","","","","","1.047","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159422","11.215","0.0012","29.247","0.003","5.8198","0.0007","90","","90","","90","","1908.9","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S2 -","- C18 H23 N O2 S2 -","- C72 H92 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0857","0.0788","","","0.1756","0.1787","","","","","","1.172","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159423","6.0077","0.0003","15.196","0.0007","19.967","0.0012","90","","90","","90","","1822.85","0.17","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O2 S2 -","- C16 H27 N O2 S2 -","- C64 H108 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0494","0.0354","","","0.0772","0.0865","","","","","","1.106","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159424","5.8356","0.0004","19.1473","0.0011","9.4506","0.0007","90","","98.968","0.004","90","","1043.06","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 S2 -","- C22 H25 N O2 S2 -","- C44 H50 N2 O4 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.1072","0.0734","","","0.1251","0.1377","","","","","","1.149","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159425","5.7979","0.0003","11.3878","0.0006","13.236","0.0007","90","","99.733","0.002","90","","861.33","0.08","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H25 N O2 S2 -","- C15 H25 N O2 S2 -","- C30 H50 N2 O4 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0315","0.0292","","","0.0728","0.0743","","","","","","1.092","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159426","27.661","0.002","5.945","0.0004","12.9885","0.0011","90","","100.737","0.004","90","","2098.5","0.3","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H29 N O2 S2 -","- C20 H29 N O2 S2 -","- C80 H116 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0754","0.046","","","0.0976","0.1082","","","","","","0.93","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159427","6.0258","0.0004","17.9919","0.0012","9.501","0.0006","90","","99.556","0.002","90","","1015.76","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 S2 -","- C20 H29 N O3 S2 -","- C40 H58 N2 O6 S4 -","2","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0617","0.0437","","","0.0818","0.0907","","","","","","1.068","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159428","9.7251","0.0003","11.3374","0.0003","14.2512","0.0004","90","","90","","90","","1571.3","0.08","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl2 N O Pd S -","- C12 H19 Cl2 N O Pd S -","- C48 H76 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0184","0.0169","","","0.0392","0.0403","","","","","","1.104","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159429","6.309","0.005","13.919","0.01","20.755","0.014","90","","90","","90","","1823","2","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl2 N O Pd S -","- C18 H17 Cl2 N O Pd S -","- C72 H68 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.1173","0.094","","","0.2358","0.2475","","","","","","1.065","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159430","8.554","0.0004","10.1169","0.0004","16.2154","0.0007","90","","90","","90","","1403.28","0.11","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H21 Cl2 N O Pd S -","- C9 H21 Cl2 N O Pd S -","- C36 H84 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.016","0.0151","","","0.0357","0.0362","","","","","","1.08","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159431","8.1116","0.0005","12.0151","0.0007","14.6744","0.0007","90","","90","","90","","1430.19","0.14","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 Cl2 N O Pd S -","- C11 H17 Cl2 N O Pd S -","- C44 H68 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0301","0.0261","","","0.0472","0.0484","","","","","","1.073","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159432","5.8774","0.0005","12.2061","0.0009","24.8164","0.0016","90","","90","","90","","1780.3","0.2","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Cl2 N O Pd S -","- C16 H21 Cl2 N O Pd S -","- C64 H84 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0482","0.0408","","","0.0951","0.1009","","","","","","1.053","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159433","6.0101","0.0003","14.6331","0.0006","19.1993","0.0008","90","","90","","90","","1688.51","0.13","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H29 N O2 S2 -","- C13 H29 N O2 S2 -","- C52 H116 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0489","0.0352","","","0.0726","0.0804","","","","","","1.103","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159434","14.1201","0.0003","14.1201","0.0003","19.4225","0.0006","90","","90","","120","","3353.6","0.14","193","2","193","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H25 N O3 S2 -","- C18 H25 N O3 S2 -","- C108 H150 N6 O18 S12 -","6","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0754","0.0631","","","0.1643","0.1736","","","","","","1.039","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159435","12.6204","0.0008","6.6213","0.0003","22.7235","0.0014","90","","95.562","0.003","90","","1889.91","0.19","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl2 N O Pd S -","- C18 H17 Cl2 N O Pd S -","- C72 H68 Cl8 N4 O4 Pd4 S4 -","4","2","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0713","0.0594","","","0.1306","0.135","","","","","","1.09","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159436","6.148","0.002","13.389","0.004","20.42","0.006","90","","90","","90","","1680.9","0.9","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Cl2 N O Pd S -","- C14 H15 Cl2 N O Pd S -","- C56 H60 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0836","0.0578","","","0.1222","0.1292","","","","","","1.091","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159437","23.66","0.002","6.1601","0.0006","14.0178","0.0013","90","","112.573","0.002","90","","1886.5","0.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H19 N5 O6 -","- C19 H19 N5 O6 -","- C76 H76 N20 O24 -","4","1","","Fuchi, Yasufumi; Watanabe, Kouki; Shoji, Misa; Ito, Yuta; Hari, Yoshiyuki","Synthesis of purine derivatives of Me-TaNA and properties of Me-TaNA-modified oligonucleotides.","Organic & biomolecular chemistry","2023","21","25","5203","5213","10.1039/d3ob00745f","","","0.71073","MoKa","","0.0367","0.0365","","","0.0972","0.0974","","","","","","1.029","","","","has coordinates","284663","2023-06-29","13:47:27",""
"7159438","8.1476","0.0005","9.0775","0.0006","27.2326","0.0017","90","","90","","90","","2014.1","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 I2 O3 -","- C23 H16 I2 O3 -","- C92 H64 I8 O12 -","4","1","","Kumari, Akanksha; Jain, Anshul; Shukla, Khyati; Patra, Ranjan; Rana, Nirmal K.","A reusable polymer anchored pyridine mediated formal [4 + 1] annulation reaction for the diastereoselective synthesis of 2,3-dihydrobenzofurans.","Organic & biomolecular chemistry","2023","21","27","5542","5546","10.1039/d3ob00804e","","","0.71073","MoKα","","0.0216","0.019","","","0.0389","0.0403","","","","","","1.056","","","","has coordinates","285510","2023-08-05","09:30:59",""
"7159439","22.3743","0.0007","5.3342","0.0002","13.0665","0.0004","90","","90","","90","","1559.47","0.09","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Kumari, Akanksha; Jain, Anshul; Shukla, Khyati; Patra, Ranjan; Rana, Nirmal K.","A reusable polymer anchored pyridine mediated formal [4 + 1] annulation reaction for the diastereoselective synthesis of 2,3-dihydrobenzofurans.","Organic & biomolecular chemistry","2023","21","27","5542","5546","10.1039/d3ob00804e","","","0.71073","MoKα","","0.052","0.0433","","","0.1005","0.105","","","","","","1.048","","","","has coordinates","285510","2023-08-05","09:31:00",""
"7159440","16.5618","0.0013","9.8374","0.0005","13.4401","0.001","90","","109.596","0.009","90","","2062.9","0.3","293","10","293","10","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 B N2 O3 -","- C25 H21 B N2 O3 -","- C100 H84 B4 N8 O12 -","4","1","","Li, Lin; Ouyang, Hao; Long, Zhiqing; Zhang, Qinpeng; Jiang, Yunqi; Cai, Meng; Xiong, Shenglun; Peng, Sangshan; Xu, Guangyu; He, Qing","A triphenylamine-based fluorescent probe with phenylboronic acid for highly selective detection of Hg<sup>2+</sup> and CH<sub>3</sub>Hg<sup>+</sup> in groundwater.","Organic & biomolecular chemistry","2023","21","27","5560","5566","10.1039/d3ob00183k","","x-ray","1.54184","CuKα","","0.0817","0.0714","","","0.188","0.1939","","","","","","1.113","","","","has coordinates","285513","2023-08-05","09:31:17",""
"7159441","12.3643","0.0004","7.5268","0.0004","31.4217","0.0012","90","","90","","90","","2924.2","0.2","296.71","","296.71","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C40 H26 O4 -","- C40 H26 O4 -","- C160 H104 O16 -","4","1","","Gugulothu, Kishan; Jatoth, Ramanna; Gudipati, Ramakrishna; Rajitha, Nampally; Dandela, Rambabu; Shiva Kumar, K.","Pd-catalyzed homo-coupling of benzofurans: one-pot synthesis of diverse 3,3'-bisbenzofurans.","Organic & biomolecular chemistry","2023","21","27","5587","5591","10.1039/d3ob00658a","","x-ray","0.71073","MoKα","","0.2374","0.1349","","","0.3198","0.4051","","","","","","1.154","","","","has coordinates","285514","2023-08-05","09:31:23",""
"7159442","8.3025","0.0012","9.7428","0.0013","10.8769","0.0013","71.098","0.012","81.271","0.011","71.101","0.012","786.4","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Saejong, Peerawat; Rojas, Juan J.; Denis, Camille; White, Andrew J. P.; Voisin-Chiret, Anne Sophie; Choi, Chulho; Bull, James A.","Synthesis of oxetane and azetidine ethers as ester isosteres by Brønsted acid catalysed alkylation of alcohols with 3-aryl-oxetanols and 3-aryl-azetidinols.","Organic & biomolecular chemistry","2023","21","27","5553","5559","10.1039/d3ob00731f","","","1.54184","CuKα","","0.0897","0.05","","","0.1105","0.1385","","","","","","1.035","","","","has coordinates","285512","2023-08-05","09:31:12",""
"7159443","10.7892","0.0005","17.3283","0.0006","8.0868","0.0003","90","","110.601","0.004","90","","1415.22","0.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","1","","Saejong, Peerawat; Rojas, Juan J.; Denis, Camille; White, Andrew J. P.; Voisin-Chiret, Anne Sophie; Choi, Chulho; Bull, James A.","Synthesis of oxetane and azetidine ethers as ester isosteres by Brønsted acid catalysed alkylation of alcohols with 3-aryl-oxetanols and 3-aryl-azetidinols.","Organic & biomolecular chemistry","2023","21","27","5553","5559","10.1039/d3ob00731f","","","0.71073","MoKα","","0.0592","0.0429","","","0.0944","0.103","","","","","","1.048","","","","has coordinates","285512","2023-08-05","09:31:12",""
"7159444","7.817","0.003","12.371","0.005","19.295","0.007","90","","90","","90","","1865.9","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Li, Jiani; Feng, Jing; Chen, Tao; Xu, Ze-Feng; Li, Chuan-Ying","Synthesis of 3-aminoquinolines from α-imino rhodium carbenes and 2-aminobenzaldehydes.","Organic & biomolecular chemistry","2023","21","29","5935","5938","10.1039/d3ob00843f","","","0.71073","MoKα","","0.0438","0.0373","","","0.0937","0.0981","","","","","","1.031","","","","has coordinates","285499","2023-08-05","09:28:38",""
"7159445","16.9533","0.0015","7.7548","0.0006","17.8906","0.0015","90","","110.685","0.002","90","","2200.4","0.3","293","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N2 O S4 -","- C20 H26 N2 O S4 -","- C80 H104 N8 O4 S16 -","4","1","","Mondal, Manas; Saha, Debajyoti; Saha, Amit","Metal-free trifunctionalization of phenylacetylenes: an efficient one-pot two-step synthesis of <i>gem</i>-bis(dithiocarbamates).","Organic & biomolecular chemistry","2023","21","29","5924","5928","10.1039/d3ob00712j","","","0.71073","MoKα","","0.1889","0.1652","","","0.2717","0.28","","","","","","1.562","","","","has coordinates","285500","2023-08-05","09:28:44",""
"7159446","10.9325","0.0005","16.9864","0.0007","9.6085","0.0005","90","","108.177","0.005","90","","1695.29","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","SKP-02","","- C21 H15 Br N2 -","- C21 H15 Br N2 -","- C84 H60 Br4 N8 -","4","1","","Parida, Sushanta Kumar; Joshi, Saurav; Murarka, Sandip","Copper-catalyzed tandem cyclization/arylation of α,β-alkynic hydrazones with diaryliodonium salts: synthesis of <i>N</i>-arylpyrazoles.","Organic & biomolecular chemistry","2023","21","28","5784","5789","10.1039/d3ob00899a","","x-ray","0.71073","MoKα","","0.0437","0.0321","","","0.0986","0.1067","","","","","","0.828","","","","has coordinates","285504","2023-08-05","09:29:41",""
"7159447","9.5218","0.0011","10.047","0.0012","18.931","0.003","90","","90","","90","","1811","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O3 -","- C20 H16 Br N O3 -","- C80 H64 Br4 N4 O12 -","4","1","","Nagesh, Kommu; Manda, Jagadish; Sridhar, B.; Subba Reddy, B. V.","Rh(III)-catalyzed [3 + 2] spiroannulation of 2,3-dihydro-1,4-benzoxazines with 4-hydroxy-2-alkynoates through <i>ortho</i>-C-H bond functionalization.","Organic & biomolecular chemistry","2023","21","30","6169","6173","10.1039/d3ob00786c","","","0.71073","MoKα","","0.0338","0.028","","","0.0707","0.0726","","","","","","1.054","","","","has coordinates","285520","2023-08-05","09:32:47",""
"7159448","8.5755","0.0004","9.8662","0.0005","11.7817","0.0006","94.918","0.001","108.527","0.001","90.485","0.001","941.01","0.08","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C44 H38 N6 O6 -","2","1","","Yang, Dezhi; Zhu, Meng; Wang, Taimin; He, Yixuan; Xie, Lang; Zhang, Jiayong; Cheng, Bin","Catalyst-free inverse-electron-demand aza-Diels-Alder reaction of 4,4-dicyano-2-methylenebut-3-enoates and 1,3,5-triazinanes: access to polysubstituted tetrahydropyridines.","Organic & biomolecular chemistry","2023","21","26","5413","5418","10.1039/d3ob00511a","","x-ray","1.34138","GaKα","","0.0727","0.0337","","","0.0987","0.1024","","","","","","1.097","","","","has coordinates","285010","2023-07-06","00:43:40",""
"7159449","9.7031","0.0007","10.4099","0.0007","17.796","0.001","90","","95.421","0.002","90","","1789.5","0.2","100","0.2","100","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Yang, Dezhi; Zhu, Meng; Wang, Taimin; He, Yixuan; Xie, Lang; Zhang, Jiayong; Cheng, Bin","Catalyst-free inverse-electron-demand aza-Diels-Alder reaction of 4,4-dicyano-2-methylenebut-3-enoates and 1,3,5-triazinanes: access to polysubstituted tetrahydropyridines.","Organic & biomolecular chemistry","2023","21","26","5413","5418","10.1039/d3ob00511a","","x-ray","0.71073","MoKα","","0.0303","0.0286","","","0.0728","0.074","","","","","","1.048","","","","has coordinates","285010","2023-07-06","00:43:41",""
"7159450","17.893","0.001","7.7491","0.0004","13.6613","0.0007","90","","90.97","0.005","90","","1893.93","0.17","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C14 H9 O -","- C14 H9 O -","- C112 H72 O8 -","8","1","","Qi, Rui; Bai, Tianwen; Tang, Shuwang; Hou, Ming; Zhang, Zhide; Xie, Wenlin; Deng, Yangling; Zhou, Hongwei; Qiu, Guanyinsheng","Solvent-promoted photochemical carbonylation of benzylic C-H bonds under iron catalysis.","Organic & biomolecular chemistry","2023","21","26","5382","5386","10.1039/d3ob00328k","","x-ray","1.54184","CuKα","","0.0759","0.067","","","0.1604","0.1731","","","","","","1.085","","","","has coordinates","285011","2023-07-06","00:45:01",""
"7159451","11.748","0.013","7.359","0.005","21.472","0.014","90","","94.5","0.03","90","","1851","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 F2 N -","- C24 H17 F2 N -","- C96 H68 F8 N4 -","4","1","","Chatterjee, Rana; Bhukta, Swadhapriya; Angajala, Kishore Kumar; Dandela, Rambabu","Copper catalysed oxidative cascade deamination/cyclization of vinyl azide and benzylamine for the synthesis of 2,4,6-triarylpyridines.","Organic & biomolecular chemistry","2023","21","26","5419","5423","10.1039/d3ob00625e","","","0.71073","MoKα","","0.1073","0.0588","","","0.1487","0.2056","","","","","","0.927","","","","has coordinates","285012","2023-07-06","00:45:24",""
"7159452","17.6839","0.0009","11.2101","0.0006","15.0773","0.0007","90","","106.593","0.002","90","","2864.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O4 S -","- C31 H34 O4 S -","- C124 H136 O16 S4 -","4","1","","Subbi Reddy, Manyam; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Design and development of intramolecular doubly vinylogous Michael addition to access 3-aryl substituted 2-alkenyl-benzofurans and -indoles.","Organic & biomolecular chemistry","2023","21","26","5387","5397","10.1039/d3ob00861d","","","0.71073","MoKα","","0.1352","0.0571","","","0.1314","0.172","","","","","","1.02","","","","has coordinates","285013","2023-07-06","00:46:01",""
"7159453","10.294","0.002","19.579","0.004","17.114","0.003","90","","99.109","0.008","90","","3405.8","1.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 N O5 S2 -","- C37 H39 N O5 S2 -","- C148 H156 N4 O20 S8 -","4","1","","Subbi Reddy, Manyam; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Design and development of intramolecular doubly vinylogous Michael addition to access 3-aryl substituted 2-alkenyl-benzofurans and -indoles.","Organic & biomolecular chemistry","2023","21","26","5387","5397","10.1039/d3ob00861d","","","0.71073","MoKα","","0.1265","0.0523","","","0.105","0.1392","","","","","","1.005","","","","has coordinates,has disorder","285013","2023-07-06","00:46:01",""
"7159454","13.7698","0.0007","14.193","0.0005","12.6454","0.0006","90","","108.45","0.005","90","","2344.3","0.2","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 B F2 N2 -","- C29 H29 B F2 N2 -","- C116 H116 B4 F8 N8 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.073","0.0483","","","0.1118","0.1209","","","","","","1.04","","","","has coordinates,has disorder","285014","2023-07-06","00:47:01",""
"7159455","20.9381","0.0005","9.9194","0.0003","11.6477","0.0003","90","","100.414","0.002","90","","2379.3","0.11","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 B F2 N2 -","- C29 H29 B F2 N2 -","- C116 H116 B4 F8 N8 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.0501","0.0423","","","0.1194","0.1238","","","","","","1.06","","","","has coordinates,has disorder","285014","2023-07-06","00:47:02",""
"7159456","7.4073","0.0002","12.8859","0.0003","15.5809","0.0003","90","","95.475","0.002","90","","1480.41","0.06","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F2 N2 -","- C20 H13 B F2 N2 -","- C80 H52 B4 F8 N8 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.0444","0.0425","","","0.1204","0.1219","","","","","","1.035","","","","has coordinates","285014","2023-07-06","00:47:02",""
"7159457","16.1855","0.0003","11.2431","0.0002","11.9494","0.0002","90","","109.172","0.002","90","","2053.89","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 B F2 N3 -","- C24 H26 B F2 N3 -","- C96 H104 B4 F8 N12 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.0412","0.0397","","","0.1101","0.111","","","","","","1.045","","","","has coordinates","285014","2023-07-06","00:47:02",""
"7159458","17.7244","0.0008","10.0495","0.0003","12.6371","0.0005","90","","110.399","0.005","90","","2109.78","0.16","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 B F2 N3 -","- C24 H26 B F2 N3 -","- C96 H104 B4 F8 N12 -","4","1","","Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke","A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.","Organic & biomolecular chemistry","2023","21","26","5398","5405","10.1039/d3ob00795b","","x-ray","0.71073","MoKα","","0.0699","0.0482","","","0.1183","0.1282","","","","","","1.041","","","","has coordinates,has disorder","285014","2023-07-06","00:47:02",""
"7159459","7.2137","0.0005","6.6371","0.0005","20.4802","0.0015","90","","95.575","0.002","90","","975.91","0.12","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","1","","Moktan, Sangay; Rotta, Mahendra K. V.; Halder, Suvendu; Pradhan, Priyanka; Kancharla, Pavan K.","<i>ortho</i>-[1-(<i>p</i>-MeOPhenyl)vinyl]benzoate PMPVB as a recyclable auxiliary for C-O and C-S bond formation reactions under Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","29","5929","5934","10.1039/d3ob00839h","","","0.71073","MoKα","","0.0736","0.0681","","","0.1838","0.1882","","","","","","1.133","","","","has coordinates","285501","2023-08-05","09:28:57",""
"7159460","12.5684","0.0018","10.8101","0.0019","13.734","0.003","90","","93.963","0.015","90","","1861.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O3 S -","- C20 H28 O3 S -","- C80 H112 O12 S4 -","4","1","","Moktan, Sangay; Rotta, Mahendra K. V.; Halder, Suvendu; Pradhan, Priyanka; Kancharla, Pavan K.","<i>ortho</i>-[1-(<i>p</i>-MeOPhenyl)vinyl]benzoate PMPVB as a recyclable auxiliary for C-O and C-S bond formation reactions under Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","29","5929","5934","10.1039/d3ob00839h","","","0.71073","MoKα","","0.2251","0.0851","","","0.1566","0.2251","","","","","","0.938","","","","has coordinates","285501","2023-08-05","09:29:01",""
"7159461","10.9191","0.0006","15.44","0.0009","21.1104","0.0012","90","","96.9191","0.0016","90","","3533.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N4 O6 -","- C36 H34 N4 O6 -","- C144 H136 N16 O24 -","4","1","","Huang, Li; Han, Ying; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Tandem ring-opening and formal [3 + 2] cycloaddition of furo[2,3-<i>d</i>]pyrimidine-2,4-diones.","Organic & biomolecular chemistry","2023","21","29","6028","6033","10.1039/d3ob00769c","","","0.71073","MoKα","","0.1679","0.0861","","","0.1978","0.2362","","","","","","1.04","","","","has coordinates","285498","2023-08-05","09:28:32",""
"7159462","11.46","0.002","11.71","0.002","17.019","0.003","93.646","0.006","106.656","0.006","116.853","0.005","1901.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Cl N5 O5 -","- C43 H40 Cl N5 O5 -","- C86 H80 Cl2 N10 O10 -","2","1","","Huang, Li; Han, Ying; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Tandem ring-opening and formal [3 + 2] cycloaddition of furo[2,3-<i>d</i>]pyrimidine-2,4-diones.","Organic & biomolecular chemistry","2023","21","29","6028","6033","10.1039/d3ob00769c","","","0.71073","MoKα","","0.1853","0.0867","","","0.134","0.1684","","","","","","1.049","","","","has coordinates","285498","2023-08-05","09:28:32",""
"7159463","8.5237","0.0014","36.249","0.006","20.786","0.004","90","","95.263","0.005","90","","6395.3","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N4 O6 -","- C36 H34 N4 O6 -","- C288 H272 N32 O48 -","8","2","","Huang, Li; Han, Ying; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Tandem ring-opening and formal [3 + 2] cycloaddition of furo[2,3-<i>d</i>]pyrimidine-2,4-diones.","Organic & biomolecular chemistry","2023","21","29","6028","6033","10.1039/d3ob00769c","","","0.71073","MoKα","","0.1902","0.0751","","","0.1475","0.1886","","","","","","1.013","","","","has coordinates","285498","2023-08-05","09:28:32",""
"7159464","5.8721","0.0002","21.5158","0.0007","12.7252","0.0004","90","","98.689","0.003","90","","1589.29","0.09","293","10","293","10","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Wani, Mohmad Muzafar; Rashid, Auqib; Bhat, Bilal A.","A micelle-mediated approach enables facile access to bridged oxabicyclo[<i>n</i>.3.1]alkene scaffolds.","Organic & biomolecular chemistry","2023","21","30","6151","6159","10.1039/d3ob00918a","","x-ray","0.71073","MoKα","","0.1059","0.0607","","","0.176","0.1994","","","","","","1.078","","","","has coordinates","285521","2023-08-05","09:32:52",""
"7159465","15.423","0.003","4.9337","0.0009","11.308","0.002","90","","110.313","0.002","90","","806.9","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl O -","- C9 H7 Cl O -","- C36 H28 Cl4 O4 -","4","1","","Wang, Miao; Jiang, Shan; Lu, Xin-Xin; Zhang, Kun; Yuan, Zi-Yi; Xu, Rui-Li; Zhao, Bang-Tun; Wu, An-Xin","Synthesis of primary propargylic alcohols from terminal alkynes using rongalite as the C1 unit.","Organic & biomolecular chemistry","2023","21","29","5949","5952","10.1039/d3ob00902e","","","0.71073","MoKα","","0.0675","0.0625","","","0.1976","0.2021","","","","","","1.059","","","","has coordinates,has disorder","285497","2023-08-05","09:28:22",""
"7159466","7.6869","0.0002","5.978","0.0001","10.041","0.0002","90","","95.575","0.002","90","","459.224","0.017","373","2","373","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H10 Br O3 -","- C9 H11 Br O3 -","- C18 H22 Br2 O6 -","2","1","","Ding, Xiao-Bo; Wung, Alexander; Furkert, Daniel P.; Brimble, Margaret A.","Synthesis of the spiroimine fragment of portimines A and B.","Organic & biomolecular chemistry","2023","21","29","6008","6017","10.1039/d3ob00998j","","","1.54184","CuKα","","0.0168","0.0167","","","0.0447","0.0447","","","","","","0.977","","","","has coordinates","285502","2023-08-05","09:29:06",""
"7159467","11.3041","0.0009","12.1883","0.001","15.3961","0.0013","73.037","0.002","80.723","0.002","67.275","0.002","1868.6","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H41 N3 Na O9 Pd -","- C39 H41 N3 Na O9 Pd -","- C78 H82 N6 Na2 O18 Pd2 -","2","1","","García-Mejía, Carlos D; Hernández-Vázquez, Eduardo; Alejandro Ibarra-Hernández, Javier; Tarbuck-Valle, Atl; Ramírez-Apán, María T","A regioselective synthesis of 3,4-diaryl-1<i>H</i>-pyrazoles through a 1,3-dipolar cycloaddition of tosylhydrazones and nitroalkenes.","Organic & biomolecular chemistry","2023","21","30","6205","6217","10.1039/d3ob00753g","","","0.71073","MoKα","","0.0395","0.0363","","","0.1022","0.1047","","","","","","1.067","","","","has coordinates,has disorder","285518","2023-08-05","09:32:35",""
"7159468","9.931","0.0008","11.5257","0.0009","31.731","0.003","90.58","0.003","92.359","0.003","109.744","0.003","3414.5","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C180 H130 N10 O20 -","10","5","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0907","0.0696","","","0.1597","0.1724","","","","","","1.126","","","","has coordinates,has disorder","285526","2023-08-05","09:33:31",""
"7159469","8.0634","0.001","9.8825","0.0012","10.1049","0.0013","114.137","0.004","98.043","0.005","97.708","0.004","711.1","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cl N O2 -","- C18 H12 Cl N O2 -","- C36 H24 Cl2 N2 O4 -","2","1","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0528","0.0391","","","0.0959","0.1052","","","","","","1.036","","","","has coordinates","285526","2023-08-05","09:33:31",""
"7159470","14.6451","0.0009","6.3929","0.0004","17.5863","0.001","90","","112.361","0.002","90","","1522.7","0.16","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0559","0.0447","","","0.1152","0.1252","","","","","","1.021","","","","has coordinates","285526","2023-08-05","09:33:31",""
"7159471","9.4965","0.0012","10.7884","0.0013","15.316","0.002","90","","104.883","0.005","90","","1516.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cl N O2 -","- C19 H14 Cl N O2 -","- C76 H56 Cl4 N4 O8 -","4","1","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0491","0.041","","","0.1104","0.1164","","","","","","1.013","","","","has coordinates","285526","2023-08-05","09:33:31",""
"7159472","10.2547","0.0013","6.2786","0.0008","18.091","0.003","90","","100.081","0.005","90","","1146.8","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","1","","Dasi, Rajesh; Villinger, Alexander; Brasholz, Malte","Visible light-induced iridium(III)-sensitized [2 + 2] and [3 + 2] photocycloadditions of 2-cyanochromone with alkenes.","Organic & biomolecular chemistry","2023","21","30","6103","6106","10.1039/d3ob00862b","","","0.71073","MoKα","","0.0553","0.0458","","","0.1124","0.1202","","","","","","1.036","","","","has coordinates,has disorder","285526","2023-08-05","09:33:31",""
"7159473","7.3664","0.0003","8.4028","0.0003","20.5541","0.001","90","","90","","90","","1272.27","0.09","120","2","120","2","","","","","","","synthesized by the authors","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Fadeev, Alexander A.; Kotora, Martin","Catalytic <i>vs.</i> uncatalyzed [2 + 2] photocycloadditions of quinones with alkynes.","Organic & biomolecular chemistry","2023","21","30","6174","6179","10.1039/d3ob00636k","","","0.71073","MoKα","","0.0314","0.0311","","","0.0885","0.0888","","","","","","1.082","","","","has coordinates","285523","2023-08-05","09:33:08",""
"7159474","12.4042","0.0004","8.1827","0.0002","12.1889","0.0004","90","","99.91","0.001","90","","1218.71","0.06","120","2","120","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Fadeev, Alexander A.; Kotora, Martin","Catalytic <i>vs.</i> uncatalyzed [2 + 2] photocycloadditions of quinones with alkynes.","Organic & biomolecular chemistry","2023","21","30","6174","6179","10.1039/d3ob00636k","","","0.71073","MoKα","","0.0357","0.035","","","0.0879","0.0886","","","","","","1.029","","","","has coordinates","285523","2023-08-05","09:33:08",""
"7159475","9.466","0.004","16.073","0.006","26.339","0.009","90","","90","","90","","4007","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 N O7 P -","- C47 H44 N O7 P -","- C188 H176 N4 O28 P4 -","4","1","","Gbubele, Joseph D.; Misiaszek, Tomasz; Siczek, Miłosz; Olszewski, Tomasz K.","α-Amido sulphones as useful intermediates in the preparation of <i>C</i>-chiral α-aminophosphonates and α-aminophosphonic acids.","Organic & biomolecular chemistry","2023","21","30","6180","6191","10.1039/d3ob00924f","","x-ray","1.54184","CuKα","","0.0634","0.0527","","","0.1346","0.1463","","","","","","1.058","","","","has coordinates","285525","2023-08-05","09:33:22",""
"7159476","10.768","0.003","11.588","0.003","31.149","0.007","90","","98.37","0.02","90","","3845.4","1.7","100","2","100","2","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C46 H42 N O7 P -","- C46 H42 N O7 P -","- C184 H168 N4 O28 P4 -","4","2","","Gbubele, Joseph D.; Misiaszek, Tomasz; Siczek, Miłosz; Olszewski, Tomasz K.","α-Amido sulphones as useful intermediates in the preparation of <i>C</i>-chiral α-aminophosphonates and α-aminophosphonic acids.","Organic & biomolecular chemistry","2023","21","30","6180","6191","10.1039/d3ob00924f","","x-ray","1.54184","CuKα","","0.0478","0.0463","","","0.1197","0.1206","","","","","","1.112","","","","has coordinates","285525","2023-08-05","09:33:22",""
"7159477","10.073","0.001","11.31","0.001","11.486","0.001","75.83","0.01","81.71","0.01","80.98","0.01","1245.4","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C56 H60 N12 O4 -","4","2","","Gaware, Sujeet; Chatterjee, Rana; Kapdi, Anant R.; Dandela, Rambabu","Copper-catalysed chemoselective C-OH bond activation of <i>N</i>-benzoyl cytosine: facile access to 2-(dimethylamino)pyrimidine.","Organic & biomolecular chemistry","2023","21","29","5944","5948","10.1039/d3ob00659j","","","0.71073","MoKα","","0.1733","0.0797","","","0.196","0.272","","","","","","1.065","","","","has coordinates","285495","2023-08-05","09:28:02",""
"7159478","49.6825","0.0009","6.41808","0.00012","13.263","0.0002","90","","95.324","0.007","90","","4210.88","0.14","93","","93","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C26 H38 O -","- C26 H37 O -","- C208 H296 O8 -","8","2","","Taguchi, Haruki; Kawaguchi, Mayuko; Nagamitsu, Tohru; Ohtawa, Masaki","Concise syntheses of (-)-habiterpenol and (+)-2,3-<i>epi</i>-habiterpenol <i>via</i> redox radical cyclization of alkenylsilane.","Organic & biomolecular chemistry","2023","21","30","6129","6133","10.1039/d3ob01062g","","","1.54187","CuKα","","0.1219","0.0912","","","0.2112","0.2313","","","","","","1.043","","","","has coordinates","285522","2023-08-05","09:33:02",""
"7159479","13.3948","0.0003","6.5207","0.00014","13.5565","0.0003","90","","111.239","0.008","90","","1103.65","0.07","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H40 O -","- C27 H40 O -","- C54 H80 O2 -","2","1","","Taguchi, Haruki; Kawaguchi, Mayuko; Nagamitsu, Tohru; Ohtawa, Masaki","Concise syntheses of (-)-habiterpenol and (+)-2,3-<i>epi</i>-habiterpenol <i>via</i> redox radical cyclization of alkenylsilane.","Organic & biomolecular chemistry","2023","21","30","6129","6133","10.1039/d3ob01062g","","","1.54187","CuKα","","0.0969","0.0712","","","0.1478","0.1608","","","","","","1.041","","","","has coordinates","285522","2023-08-05","09:33:02",""
"7159480","11.4265","0.0002","14.3062","0.0003","27.604","0.0005","90","","90","","90","","4512.42","0.15","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O2 -","- C27 H40 O2 -","- C216 H320 O16 -","8","2","","Taguchi, Haruki; Kawaguchi, Mayuko; Nagamitsu, Tohru; Ohtawa, Masaki","Concise syntheses of (-)-habiterpenol and (+)-2,3-<i>epi</i>-habiterpenol <i>via</i> redox radical cyclization of alkenylsilane.","Organic & biomolecular chemistry","2023","21","30","6129","6133","10.1039/d3ob01062g","","","1.54187","CuKα","","0.1002","0.0594","","","0.1282","0.1519","","","","","","1.037","","","","has coordinates","285522","2023-08-05","09:33:02",""
"7159481","11.1261","0.0007","7.8636","0.0005","25.4825","0.0016","90","","90","","90","","2229.5","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Cl N3 O -","- C12 H8 Cl N3 O -","- C96 H64 Cl8 N24 O8 -","8","1","","Zhu, Chen; Zhou, Jubao; Li, Tianxing; Yang, Jiaxin; Jin, Hui; Zhang, Lixin","Access to 2-pyridinones comprising enaminonitriles <i>via</i> AgOAc promoted cascade reactions of thioesters with aminomethylene malononitriles.","Organic & biomolecular chemistry","2023","21","34","6881","6885","10.1039/d3ob00915g","","","0.71073","MoKα","","0.1099","0.0533","","","0.1111","0.1385","","","","","","1.049","","","","has coordinates","286194","2023-09-05","20:23:35",""
"7159482","8.98207","0.00019","13.3543","0.0003","29.0314","0.0005","90","","90","","90","","3482.29","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 F N2 O5 -","- C18 H15 F N2 O5 -","- C144 H120 F8 N16 O40 -","8","2","","Wu, Ruoran; Chen, Peng; Chai, Yu; Zhou, Junyu; Ou, Jianhua; Min, Yan; Wang, Haoting; Liang, Guojuan; Zhang, Dong; Zhou, Jing; Zhou, Hui","High diastereo- and enantioselective Michael addition of 3-acetoxy-2-oxindoles with nitroalkenes catalyzed by nickel/PyBisulidine.","Organic & biomolecular chemistry","2023","21","30","6225","6229","10.1039/d3ob01024d","","x-ray","1.54184","CuKα","","0.0587","0.0473","","","0.1165","0.1288","","","","","","1.043","","","","has coordinates","285519","2023-08-05","09:32:41",""
"7159483","9.0366","0.0006","9.9845","0.0006","12.3996","0.0008","93.071","0.002","104.114","0.002","110.062","0.0017","1007.52","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 N O2 S -","- C26 H15 N O2 S -","- C52 H30 N2 O4 S2 -","2","1","","Reddy, Chada Raji; Ajaykumar, Uprety; Patil, Amol D.; Ramesh, Remya","<i>ipso</i>-Cyclization of unactivated biaryl ynones leading to thio-functionalized spirocyclic enones.","Organic & biomolecular chemistry","2023","21","31","6379","6388","10.1039/d3ob00974b","","","0.71073","MoKα","","0.0719","0.0526","","","0.1515","0.1709","","","","","","1.14","","","","has coordinates","286191","2023-09-05","20:23:06",""
"7159484","11.679","0.002","15.814","0.003","13.357","0.003","90","","101.12","0.03","90","","2420.6","0.9","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O5 -","- C30 H22 N2 O5 -","- C120 H88 N8 O20 -","4","1","","Alizadeh, Abdolali; Rostampoor, Azar","Base-promoted synthesis of dihydrochromeno[4,3-<i>d</i>]pyrrolo[3,4-<i>b</i>]pyridines from 4-chloro-3-substituted coumarins and α-aminomaleimides.","Organic & biomolecular chemistry","2023","21","30","6160","6168","10.1039/d3ob00632h","","","0.71073","MoKα","","0.0628","0.0536","","","0.1211","0.1262","","","","","","1.128","","","","has coordinates","285524","2023-08-05","09:33:14",""
"7159485","23.599","0.0006","23.599","0.0006","10.4104","0.0004","90","","90","","120","","5020.9","0.3","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C16 H23 F3 N2 O4 -","- C16 H23 F3 N2 O4 -","- C144 H207 F27 N18 O36 -","9","1","","Ghosh, Arun K.; Yadav, Monika","Synthesis of optically active SARS-CoV-2 Mpro inhibitor drug nirmatrelvir (Paxlovid): an approved treatment of COVID-19.","Organic & biomolecular chemistry","2023","21","28","5768","5774","10.1039/d3ob00653k","","","1.54178","CuKα","","0.0262","0.0258","","","0.0692","0.0695","","","","","","1.063","","","","has coordinates,has disorder","285292","2023-07-20","00:52:13",""
"7159486","6.911","0.002","20.066","0.007","11.124","0.004","90","","106.903","0.015","90","","1476","0.9","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 N7 O10 -","- C10 H5 N7 O10 -","- C40 H20 N28 O40 -","4","1","","Pandey, Krishna; Bhatia, Prachi; Mohammad, Khwaja; Ghule, Vikas D.; Kumar, Dheeraj","Polynitro-functionalized 4-phenyl-1<i>H</i>-pyrazoles as heat-resistant explosives.","Organic & biomolecular chemistry","2023","21","32","6604","6616","10.1039/d3ob00949a","","","0.71073","MoKα","","0.0647","0.0478","","","0.1454","0.1557","","","","","","0.923","","","","has coordinates","286180","2023-09-05","20:21:13",""
"7159487","13.2504","0.0007","22.4474","0.0012","7.5543","0.0004","90","","96.148","0.001","90","","2234","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N15 O13 -","- C13 H15 N15 O13 -","- C52 H60 N60 O52 -","4","1","","Pandey, Krishna; Bhatia, Prachi; Mohammad, Khwaja; Ghule, Vikas D.; Kumar, Dheeraj","Polynitro-functionalized 4-phenyl-1<i>H</i>-pyrazoles as heat-resistant explosives.","Organic & biomolecular chemistry","2023","21","32","6604","6616","10.1039/d3ob00949a","","","0.71073","MoKα","","0.0561","0.0459","","","0.1099","0.1164","","","","","","1.038","","","","has coordinates","286180","2023-09-05","20:21:13",""
"7159488","15.0786","0.0004","21.5444","0.0007","7.8455","0.0002","90","","93.189","0.002","90","","2544.74","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 N O3 S -","- C30 H37 N O3 S -","- C120 H148 N4 O12 S4 -","4","1","","Kratena, Nicolas; Weil, Matthias; Gärtner, Peter","A biomimetic approach for the concise total synthesis of greenwaylactams A-C.","Organic & biomolecular chemistry","2023","21","31","6317","6319","10.1039/d3ob01001e","","","1.54186","CuKα","","0.059","0.0423","","","0.0957","0.1043","","","","","","1.051","","","","has coordinates","286190","2023-09-05","20:23:01",""
"7159489","19.1728","0.0005","12.7276","0.0003","19.2357","0.0006","90","","117.121","0.004","90","","4177.8","0.2","299","1","299","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N3 O5 -","- C24 H23 N3 O5 -","- C192 H184 N24 O40 -","8","1","","Wang, Maorui; Zhang, Min","Diastereoselective construction of carbo-bridged polyheterocycles by a three-component tandem annulation reaction.","Organic & biomolecular chemistry","2023","21","31","6342","6347","10.1039/d3ob01013a","","x-ray","1.54184","CuKα","","0.0521","0.0447","","","0.1203","0.1249","","","","","","1.061","","","","has coordinates","286189","2023-09-05","20:22:55",""
"7159490","10.3471","0.0007","11.5677","0.0008","12.0428","0.0007","83.169","0.005","72.223","0.006","71.119","0.006","1298.42","0.16","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N O4 S -","- C31 H27 N O4 S -","- C62 H54 N2 O8 S2 -","2","1","","Cai, Lu-Yu; Song, Xiu-Qing; Wang, Kuo; Zhang, Yue; Zhao, Hong-Wu","Pd-catalyzed decarboxylative 1,4-addition reactions of benzofuran-based azadienes with allyl phenyl carbonates.","Organic & biomolecular chemistry","2023","21","32","6556","6564","10.1039/d3ob00968h","","x-ray","0.71073","MoKα","","0.1322","0.0761","","","0.183","0.2166","","","","","","1.042","","","","has coordinates","286181","2023-09-05","20:21:18",""
"7159491","21.1418","0.0011","6.3999","0.0003","27.776","0.0013","90","","96.557","0.004","90","","3733.7","0.3","285","2","285","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H20 F2 O3 S -","- C19 H20 F2 O3 S -","- C152 H160 F16 O24 S8 -","8","1","","Ishu, Km; Prabhakar, Neha Sharma; Singh, Krishna Nand","A regioselective synthesis of β-difluoromethoxy vinyl sulfones <i>via O</i>-difluoromethylation of β-ketosulfones using sodium chlorodifluoroacetate.","Organic & biomolecular chemistry","2023","21","32","6588","6594","10.1039/d3ob01142a","","","1.54184","CuKα","","0.1546","0.106","","","0.2711","0.3195","","","","","","1.044","","","","has coordinates","286789","2023-10-06","00:44:57",""
"7159492","6.0743","0.0001","7.2917","0.0001","12.6835","0.0002","90","","100.602","0.001","90","","552.187","0.015","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H13 N -","- C16 H13 N -","- C32 H26 N2 -","2","1","","Lin, Tzu-Chun; Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","Environmentally friendly Nafion-catalyzed synthesis of 3-substituted isoquinoline by using hexamethyldisilazane as a nitrogen source under microwave irradiation.","Organic & biomolecular chemistry","2023","21","36","7316","7326","10.1039/d3ob01032e","","","1.54178","CuKα","","0.0294","0.0292","","","0.08","0.0801","","","","","","1.09","","","","has coordinates","286793","2023-10-06","00:46:26",""
"7159493","6.1473","0.0001","7.4004","0.0001","24.669","0.0003","90","","90","","90","","1122.25","0.03","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N -","- C16 H13 N -","- C64 H52 N4 -","4","1","","Lin, Tzu-Chun; Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","Environmentally friendly Nafion-catalyzed synthesis of 3-substituted isoquinoline by using hexamethyldisilazane as a nitrogen source under microwave irradiation.","Organic & biomolecular chemistry","2023","21","36","7316","7326","10.1039/d3ob01032e","","","1.54178","CuKα","","0.0266","0.026","","","0.0664","0.0666","","","","","","1.04","","","","has coordinates","286793","2023-10-06","00:46:37",""
"7159494","12.0705","0.0002","7.4759","0.0001","26.1572","0.0004","90","","97.409","0.001","90","","2340.66","0.06","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","2","","Lin, Tzu-Chun; Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","Environmentally friendly Nafion-catalyzed synthesis of 3-substituted isoquinoline by using hexamethyldisilazane as a nitrogen source under microwave irradiation.","Organic & biomolecular chemistry","2023","21","36","7316","7326","10.1039/d3ob01032e","","","1.54178","CuKα","","0.0833","0.0473","","","0.1201","0.1289","","","","","","1.059","","","","has coordinates","286793","2023-10-06","00:46:39",""
"7159495","5.7924","0.0003","11.1413","0.0005","12.024","0.0006","110.796","0.002","90.433","0.002","91.711","0.002","724.95","0.06","150","2","150","","","","","","","","","5","P 1","P 1","1","","","","- C29 H23 Cl4 N O7 -","- C29 H23 Cl4 N O7 -","- C29 H23 Cl4 N O7 -","1","1","","Yuan, Peng; Liu, Rui; Zhu, Hui-Min; Liao, Zhixin; Xiang, Jia-Chen; Wu, An-Xin","An I<sub>2</sub>-DMSO catalytic manifold enabled aromatization for C-ring editing of podophyllotoxone.","Organic & biomolecular chemistry","2023","21","32","6468","6473","10.1039/d3ob00927k","","","0.71073","MoKα","","0.0597","0.0526","","","0.1352","0.1408","","","","","","1.112","","","","has coordinates","286179","2023-09-05","20:21:06",""
"7159496","23.6452","0.0006","12.0393","0.0003","24.3383","0.0006","90","","93.136","0.002","90","","6918","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 Cl6 N O9 -","- C31 H25 Cl6 N O9 -","- C248 H200 Cl48 N8 O72 -","8","1","","Yuan, Peng; Liu, Rui; Zhu, Hui-Min; Liao, Zhixin; Xiang, Jia-Chen; Wu, An-Xin","An I<sub>2</sub>-DMSO catalytic manifold enabled aromatization for C-ring editing of podophyllotoxone.","Organic & biomolecular chemistry","2023","21","32","6468","6473","10.1039/d3ob00927k","","","1.54178","CuKα","","0.1224","0.0892","","","0.2709","0.3066","","","","","","1.08","","","","has coordinates","286179","2023-09-05","20:21:06",""
"7159497","11.7949","0.0005","10.0157","0.0004","20.5833","0.0011","90","","90.996","0.002","90","","2431.22","0.19","150","2","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C120 H88 F12 N16 O4 -","- C120 H84 F12 N16 O4 -","- C120 H84 F12 N16 O4 -","1","0.25","","Deng, Yi-Hang; Xu, Wen-Li; Wang, Lei; Tang, Cheng-Yang; Fu, Ji-Ya; Zhang, Chuan-Bao","Regio- and diastereoselective synthesis of diverse spirocyclic indenes by cyclization with indene-dienes as two carbon building blocks.","Organic & biomolecular chemistry","2023","21","33","6681","6686","10.1039/d3ob00982c","","","0.71073","MoKα","","0.1268","0.0616","","","0.1212","0.1525","","","","","","1.017","","","","has coordinates","286186","2023-09-05","20:22:00",""
"7159498","9.946","0.005","32.16","0.02","11.104","0.006","90","","110.73","0.016","90","","3322","3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C160 H148 Cl4 N8 O8 -","- C160 H148 Cl4 N8 O8 -","- C160 H148 Cl4 N8 O8 -","1","0.25","","Deng, Yi-Hang; Xu, Wen-Li; Wang, Lei; Tang, Cheng-Yang; Fu, Ji-Ya; Zhang, Chuan-Bao","Regio- and diastereoselective synthesis of diverse spirocyclic indenes by cyclization with indene-dienes as two carbon building blocks.","Organic & biomolecular chemistry","2023","21","33","6681","6686","10.1039/d3ob00982c","","","0.71073","MoKα","","0.2231","0.0863","","","0.1941","0.2777","","","","","","1.015","","","","has coordinates","286186","2023-09-05","20:22:00",""
"7159499","10.8858","0.0002","12.1164","0.0002","12.8017","0.0003","90.79","0.001","90.401","0.001","108.749","0.001","1598.63","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H37 N3 O2 -","- C41 H37 N3 O2 -","- C82 H74 N6 O4 -","2","1","","Deng, Yi-Hang; Xu, Wen-Li; Wang, Lei; Tang, Cheng-Yang; Fu, Ji-Ya; Zhang, Chuan-Bao","Regio- and diastereoselective synthesis of diverse spirocyclic indenes by cyclization with indene-dienes as two carbon building blocks.","Organic & biomolecular chemistry","2023","21","33","6681","6686","10.1039/d3ob00982c","","","1.54178","CuKα","","0.0469","0.0414","","","0.112","0.1157","","","","","","1.056","","","","has coordinates","286186","2023-09-05","20:22:00",""
"7159500","8.4142","0.0002","25.3815","0.0004","8.4387","0.0002","90","","119.088","0.003","90","","1574.91","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F3 O3 Se -","- C16 H15 F3 O3 Se -","- C64 H60 F12 O12 Se4 -","4","1","","Radzhabov, Amirbek D.; Soldatova, Natalia S.; Ivanov, Daniil M.; Yusubov, Mekhman S.; Kukushkin, Vadim Yu; Postnikov, Pavel S.","Metal-free and atom-efficient protocol for diarylation of selenocyanate by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","33","6743","6749","10.1039/d3ob00833a","","x-ray","1.54184","CuKα","","0.0778","0.0767","","","0.1803","0.1807","","","","","","1.257","","","","has coordinates","286188","2023-09-05","20:22:12",""
"7159501","7.1991","0.0001","14.1649","0.0002","12.8571","0.0002","90","","90.327","0.001","90","","1311.08","0.03","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N2 O4 Se2 -","- C12 H8 N2 O4 Se2 -","- C48 H32 N8 O16 Se8 -","4","0.5","","Radzhabov, Amirbek D.; Soldatova, Natalia S.; Ivanov, Daniil M.; Yusubov, Mekhman S.; Kukushkin, Vadim Yu; Postnikov, Pavel S.","Metal-free and atom-efficient protocol for diarylation of selenocyanate by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","33","6743","6749","10.1039/d3ob00833a","","x-ray","1.54184","CuKα","","0.03","0.0293","","","0.0817","0.0824","","","","","","1.04","","","","has coordinates","286188","2023-09-05","20:22:13",""
"7159502","14.6406","0.0009","4.3593","0.0003","23.6861","0.0019","90","","104.016","0.008","90","","1466.71","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 Se -","- C16 H15 N O3 Se -","- C64 H60 N4 O12 Se4 -","4","1","","Radzhabov, Amirbek D.; Soldatova, Natalia S.; Ivanov, Daniil M.; Yusubov, Mekhman S.; Kukushkin, Vadim Yu; Postnikov, Pavel S.","Metal-free and atom-efficient protocol for diarylation of selenocyanate by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","33","6743","6749","10.1039/d3ob00833a","","x-ray","1.54184","CuKα","","0.0925","0.0709","","","0.1714","0.1883","","","","","","1.076","","","","has coordinates","286188","2023-09-05","20:22:13",""
"7159503","9.2466","0.0007","11.7371","0.0008","33.379","0.003","90","","90","","90","","3622.6","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H56 N2 O4 -","- C42 H56 N2 O4 -","- C168 H224 N8 O16 -","4","1","","Borade, Somnath Arjun; Naharwal, Sushma; Bhambri, Himanshi; Mandal, Sanjay K.; Bajaj, Kiran; Chitkara, Deepak; Sakhuja, Rajeev","Synthesis of modified bile acids <i>via</i> palladium-catalyzed C(sp<sup>3</sup>)-H (hetero)arylation.","Organic & biomolecular chemistry","2023","21","33","6719","6729","10.1039/d3ob00916e","","","0.71073","MoKα","","0.0701","0.0446","","","0.0924","0.1021","","","","","","1.024","","","","has coordinates","286184","2023-09-05","20:21:46",""
"7159504","10.4551","0.0008","10.5908","0.0007","14.0367","0.0009","97.348","0.005","110.905","0.007","92.79","0.006","1432.54","0.19","120.01","0.1","120.01","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 N4 O2 -","- C32 H44 N4 O2 -","- C64 H88 N8 O4 -","2","1","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with <i>meso</i>-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","1.54184","CuKα","","0.0851","0.0523","","","0.1109","0.1265","","","","","","1.046","","","","has coordinates","286178","2023-09-05","20:20:57",""
"7159505","16.5102","0.0009","12.6105","0.0006","20.3179","0.0011","90","","102.428","0.0019","90","","4131.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 N6 O4 -","- C48 H50 N6 O4 -","- C192 H200 N24 O16 -","4","0.5","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with <i>meso</i>-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","0.71073","MoKα","","0.0983","0.0503","","","0.1125","0.1311","","","","","","1.031","","","","has coordinates","286178","2023-09-05","20:20:57",""
"7159506","18.0787","0.0009","18.1527","0.0005","22.8772","0.0012","90","","108.69","0.005","90","","7111.9","0.6","120.01","0.1","120.01","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C74 H118 Cl2 N10 O5 -","- C74 H118 Cl2 N10 O5 -","- C296 H472 Cl8 N40 O20 -","4","0.5","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with <i>meso</i>-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","1.54184","CuKα","","0.1019","0.0954","","","0.2272","0.2306","","","","","","1.144","","","","has coordinates,has disorder","286178","2023-09-05","20:20:57",""
"7159507","8.9833","0.0006","8.8691","0.0005","22.8632","0.0013","90","","95.4001","0.0018","90","","1813.51","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","1","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with <i>meso</i>-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","0.71073","MoKα","","0.0662","0.049","","","0.1255","0.1365","","","","","","1.048","","","","has coordinates","286178","2023-09-05","20:20:57",""
"7159508","34.488","0.0003","34.488","0.0003","10.2956","0.0001","90","","90","","90","","12245.8","0.19","120.01","0.1","120.01","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C33 H46 N4 O2.25 -","- C33 H46 N4 O2.25 -","- C528 H736 N64 O36 -","16","1","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with <i>meso</i>-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","1.54184","CuKα","","0.0623","0.0559","","","0.1681","0.177","","","","","","1.032","","","","has coordinates","286178","2023-09-05","20:20:57",""
"7159509","10.3501","0.0003","14.2207","0.0003","33.7063","0.0011","90","","98.456","0.003","90","","4907.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H59 N9 O4 -","- C54 H59 N9 O4 -","- C216 H236 N36 O16 -","4","1","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with <i>meso</i>-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","0.71075","MoKα","","0.1161","0.0829","","","0.2049","0.2188","","","","","","1.147","","","","has coordinates","286178","2023-09-05","20:20:57",""
"7159510","11.2988","0.0004","29.2753","0.0007","8.8713","0.0003","90","","108.177","0.004","90","","2787.98","0.16","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Fe N2 O8 -","- C27 H37 Fe N2 O8 -","- C108 H148 Fe4 N8 O32 -","4","1","","Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","A <i>cis</i>-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.","Organic & biomolecular chemistry","2023","21","33","6789","6793","10.1039/d3ob01085f","","x-ray","0.71073","MoKα","","0.0639","0.0399","","","0.0871","0.095","","","","","","1.047","","","","has coordinates","286182","2023-09-05","20:21:33",""
"7159511","33.115","0.007","8.069","0.0016","23.502","0.005","90","","128.93","0.03","90","","4885","3","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 Fe N2 O6 -","- C26 H31 Fe N2 O6 -","- C208 H248 Fe8 N16 O48 -","8","1","","Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","A <i>cis</i>-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.","Organic & biomolecular chemistry","2023","21","33","6789","6793","10.1039/d3ob01085f","","","0.71073","Synchrotron","","0.0516","0.0466","","","0.1262","0.1313","","","","","","1.07","","","","has coordinates","286182","2023-09-05","20:21:33",""
"7159512","7.3197","0.0001","7.1491","0.0001","10.908","0.0002","90","","96.041","0.002","90","","567.638","0.015","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O -","- C13 H22 O -","- C26 H44 O2 -","2","1","","Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","A <i>cis</i>-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.","Organic & biomolecular chemistry","2023","21","33","6789","6793","10.1039/d3ob01085f","","x-ray","1.54184","CuKα","","0.0366","0.0355","","","0.0937","0.0951","","","","","","1.064","","","","has coordinates","286182","2023-09-05","20:21:33",""
"7159513","9.35425","0.00016","11.58392","0.00018","21.9396","0.0003","90","","93.5438","0.0015","90","","2372.8","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 O4 Si -","- C25 H34 O4 Si -","- C100 H136 O16 Si4 -","4","1","","Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","A <i>cis</i>-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.","Organic & biomolecular chemistry","2023","21","33","6789","6793","10.1039/d3ob01085f","","x-ray","0.71073","MoKα","","0.1132","0.0555","","","0.1349","0.1572","","","","","","1.024","","","","has coordinates","286182","2023-09-05","20:21:33",""
"7159514","7.424","0.0003","8.9236","0.0004","14.0704","0.0006","104.564","0.004","99.048","0.003","94.974","0.004","883.16","0.07","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","ethyl (E)-3-(2-(dimethylamino)-2-oxoethyl)-5,5-dimethyl-4-((methylthio)methyl)hex-2-enoate","","- C16 H29 N O3 S -","- C16 H29 N O3 S -","- C32 H58 N2 O6 S2 -","2","1","","García-Castro, Miguel; Moya-Utrera, Federico; Sarabia, Francisco","Transition metal-free [2,3]-sigmatropic rearrangement in the reaction of sulfur ylides with allenoates.","Organic & biomolecular chemistry","2023","21","30","6096","6102","10.1039/d3ob00657c","","x-ray","1.54184","CuKα","","0.0766","0.0653","","","0.1702","0.1783","","","","","","1.08","","","","has coordinates","285434","2023-08-03","00:47:53",""
"7159515","11.3533","0.0002","5.068","0.0001","13.1835","0.0002","90","","101.957","0.002","90","","742.1","0.02","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C36 H26 N2 O6 -","2","1","","Prieto, Elena; Martín, Jorge D; Nieto, Javier; Andrés, Celia","Enantioselective synthesis of 3-hydroxy- and 3-amino-3-alkynyl-2-oxindoles by the dimethylzinc-mediated addition of terminal alkynes to isatins and isatin-derived ketimines.","Organic & biomolecular chemistry","2023","21","34","6940","6948","10.1039/d3ob01023f","","x-ray","1.54184","CuKα","","0.0369","0.0329","","","0.0854","0.0893","","","","","","1.052","","","","has coordinates","286195","2023-09-05","20:23:41",""
"7159516","12.1758","0.0003","5.3402","0.0001","21.8778","0.0006","90","","101.147","0.003","90","","1395.68","0.06","298.15","","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H20 Cl4 N2 O2 -","- C30 H20 Cl4 N2 O2 -","- C60 H40 Cl8 N4 O4 -","2","1","","Prieto, Elena; Martín, Jorge D; Nieto, Javier; Andrés, Celia","Enantioselective synthesis of 3-hydroxy- and 3-amino-3-alkynyl-2-oxindoles by the dimethylzinc-mediated addition of terminal alkynes to isatins and isatin-derived ketimines.","Organic & biomolecular chemistry","2023","21","34","6940","6948","10.1039/d3ob01023f","","x-ray","1.54184","CuKα","","0.0532","0.0457","","","0.1139","0.1205","","","","","","1.045","","","","has coordinates","286195","2023-09-05","20:23:41",""
"7159517","10.3685","0.0001","10.752","0.0001","15.8732","0.0001","90","","99.443","0.001","90","","1745.6","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 O2 S -","- C23 H18 O2 S -","- C92 H72 O8 S4 -","4","2","","Wang, Xilong; Luo, Yu; Zhao, Jiaji; Luo, Shuang","CPA-catalyzed asymmetric domino thia-Michael/aldol reactions for simultaneous chiral center and axial chirality formation.","Organic & biomolecular chemistry","2023","21","33","6697","6701","10.1039/d3ob01087b","","x-ray","1.54184","CuKα","","0.0385","0.0373","","","0.0998","0.1008","","","","","","1.126","","","","has coordinates","286185","2023-09-05","20:21:52",""
"7159518","5.4603","0.0002","20.5881","0.0009","12.9406","0.0006","90","","93.864","0.002","90","","1451.44","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C72 H52 N12 O4 -","4","2","","Zhao, Jianbo; Wu, Min; Luo, Jiamin; Shi, Lei; Li, Hao","N-Heterocyclic carbene-catalyzed enantioselective annulation of 2-amino-1<i>H</i>-indoles and bromoenals for the synthesis of chiral 2-aryl-2,3-dihydropyrimido[1,2-<i>a</i>]indol-4 (1<i>H</i>)-ones.","Organic & biomolecular chemistry","2023","21","33","6675","6680","10.1039/d3ob01006f","","","1.54178","CuKα","","0.0812","0.0644","","","0.1718","0.1932","","","","","","1.053","","","","has coordinates","286187","2023-09-05","20:22:06",""
"7159519","14.1324","0.0005","8.3919","0.0003","11.1269","0.0004","90","","103.587","0.001","90","","1282.69","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl)pyridine","","- C15 H12 Cl N3 -","- C15 H12 Cl N3 -","- C60 H48 Cl4 N12 -","4","1","","García-Mejía, Carlos D; Hernández-Vázquez, Eduardo; Alejandro Ibarra-Hernández, Javier; Tarbuck-Valle, Atl; Ramírez-Apán, María T","A regioselective synthesis of 3,4-diaryl-1<i>H</i>-pyrazoles through a 1,3-dipolar cycloaddition of tosylhydrazones and nitroalkenes.","Organic & biomolecular chemistry","2023","21","30","6205","6217","10.1039/d3ob00753g","","","0.71073","MoKα","","0.0323","0.0304","","","0.0845","0.0861","","","","","","1.07","","","","has coordinates","285447","2023-08-04","20:15:35",""
"7159520","11.754","0.0004","13.704","0.0004","18.2969","0.0005","90","","90","","90","","2947.21","0.15","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 F3 N2 O2 -","- C6 H5 F3 N2 O2 -","- C96 H80 F48 N32 O32 -","16","4","","Coufal, Radek; Tošner, Zdeněk; Drahoňovský, Dušan; Vohlídal, Jiří","Hemiacetal-based dynamic systems: a new mechanistic insight.","Organic & biomolecular chemistry","2023","21","34","6956","6968","10.1039/d3ob00668a","","","0.71073","MoKα","","0.0357","0.0304","","","0.0701","0.0728","","","","","","1.023","","","","has coordinates","286196","2023-09-05","20:23:49",""
"7159521","8.4072","0.0012","9.8706","0.0014","13.707","0.002","106.49","0.005","93.08","0.005","94.165","0.005","1084.5","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H37 N5 O2 -","- C21 H37 N5 O2 -","- C42 H74 N10 O4 -","2","1","","Wagh, Mahendra A.; Shinde, Dinesh R.; Gamidi, Rama Krishna; Sanjayan, Gangadhar J.","2-Amino-5-methylene-pyrimidine-4,6-dione-based Janus G-C nucleobase as a versatile building block for self-assembly.","Organic & biomolecular chemistry","2023","21","34","6914","6918","10.1039/d3ob01174g","","","0.71073","MoKα","","0.1215","0.0892","","","0.2274","0.255","","","","","","1.069","","","","has coordinates,has disorder","286801","2023-10-06","00:47:44",""
"7159522","6.22994","0.00011","10.4767","0.00016","24.3448","0.0004","90","","90","","90","","1588.97","0.05","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Wei, Jiangchun; Li, Zhiyue; Shan, Min; Wu, Fengzhi; Li, Limin; Ma, Yucui; Wu, Junhong; Li, Xinping; Liu, Yaqian; Hu, Zhengxi; Zhang, Yonghui; Wu, Zhengzhi","Discovery of two <i>ent</i>-atisane diterpenoid lactones with AChE inhibitory activity from the roots of <i>Euphorbia fischeriana</i>.","Organic & biomolecular chemistry","2023","21","34","6949","6955","10.1039/d3ob01007d","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0739","0.0744","","","","","","1.089","","","","has coordinates","286193","2023-09-05","20:23:27",""
"7159523","8.3871","0.0011","16.0084","0.0017","19.711","0.0019","90","","106.856","0.003","90","","2532.8","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl I N2 O4 S -","- C25 H22 Cl I N2 O4 S -","- C100 H88 Cl4 I4 N8 O16 S4 -","4","1","","Jiang, Dong-Fang; Qi, Zhenjie; Li, Dengfeng; Wen, Si-Miaomiao; Liu, Zhao; Hao, Wen-Juan; Jiang, Bo","PhI(OAc)<sub>2</sub>-mediated aminoacyloxylation of β,γ-unsaturated hydrazones using Togni reagent II as an acyloxyl precursor.","Organic & biomolecular chemistry","2023","21","33","6757","6761","10.1039/d3ob01125a","","","1.54178","CuKα","","0.1158","0.0628","","","0.0996","0.1209","","","","","","1.018","","","","has coordinates","286790","2023-10-06","00:45:13",""
"7159524","21.044","0.0012","5.1578","0.0003","19.5025","0.0011","90","","119.164","0.002","90","","1848.46","0.19","273.15","","273.15","","","","","","","","","6","C 1 2 1","C 2y","5","","IISRX02RT","","- C19 H16 F3 N O3 S -","- C19 H16 F3 N O3 S -","- C76 H64 F12 N4 O12 S4 -","4","1","","Racochote, Sasirome; Naweephattana, Phiphob; Surawatanawong, Panida; Kuhakarn, Chutima; Leowanawat, Pawaret; Reutrakul, Vichai; Soorukram, Darunee","Base-catalyzed diastereodivergent thia-Michael addition to chiral β-trifluoromethyl-α,β-unsaturated <i>N</i>-acylated oxazolidin-2-ones.","Organic & biomolecular chemistry","2023","21","35","7180","7187","10.1039/d3ob00999h","","x-ray","1.54178","CuKα","K-L~3~","0.0452","0.0417","","","0.116","0.1197","","","","","","1.047","","","","has coordinates","286796","2023-10-06","00:47:09",""
"7159525","5.4848","0.0003","11.8755","0.0007","32.4602","0.0019","90","","90","","90","","2114.3","0.2","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","II_SR_XRD_03_RT_2","","- C17 H20 F3 N O3 S -","- C17 H20 F3 N O3 S -","- C68 H80 F12 N4 O12 S4 -","4","1","","Racochote, Sasirome; Naweephattana, Phiphob; Surawatanawong, Panida; Kuhakarn, Chutima; Leowanawat, Pawaret; Reutrakul, Vichai; Soorukram, Darunee","Base-catalyzed diastereodivergent thia-Michael addition to chiral β-trifluoromethyl-α,β-unsaturated <i>N</i>-acylated oxazolidin-2-ones.","Organic & biomolecular chemistry","2023","21","35","7180","7187","10.1039/d3ob00999h","","x-ray","1.54178","CuKα","K-L~3~","0.0793","0.0726","","","0.2032","0.2141","","","","","","1.091","","","","has coordinates","286796","2023-10-06","00:47:09",""
"7159526","10.3827","0.0003","15.5971","0.0004","19.3486","0.0006","68.486","0.003","74.716","0.003","88.134","0.002","2804.72","0.16","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C60.5 H50.5 Cl4.5 N9 O6 -","- C60.5 H50.5 Cl4.5 N9 O6 -","- C121 H101 Cl9 N18 O12 -","2","2","","Pike, Sarah J.; Telford, Richard; Male, Louise","Reversible conformational switching of a photo-responsive <i>ortho</i>-azobenzene/2,6-pyridyldicarboxamide heterofoldamer.","Organic & biomolecular chemistry","2023","21","38","7717","7723","10.1039/d3ob01137b","","x-ray","1.54178","CuKα","","0.0661","0.0627","","","0.1733","0.1767","","","","","","1.016","","","","has coordinates,has disorder","286809","2023-10-06","00:48:53",""
"7159527","4.7704","0.0002","9.7654","0.0004","26.4117","0.0012","90","","90","","90","","1230.39","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 O -","- C14 H14 N4 O -","- C56 H56 N16 O4 -","4","1","","Pike, Sarah J.; Telford, Richard; Male, Louise","Reversible conformational switching of a photo-responsive <i>ortho</i>-azobenzene/2,6-pyridyldicarboxamide heterofoldamer.","Organic & biomolecular chemistry","2023","21","38","7717","7723","10.1039/d3ob01137b","","x-ray","1.54184","CuKα","","0.0403","0.0388","","","0.0969","0.0982","","","","","","1.061","","","","has coordinates","286809","2023-10-06","00:48:53",""
"7159528","9.668","0.0001","16.949","0.0002","30.1249","0.0004","90","","90","","90","","4936.35","0.1","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H29 N O6 -","- C28 H29 N O6 -","- C224 H232 N8 O48 -","8","1","","Li, Wenhui; Lin, Jianying; Huang, Shuangping; Liu, Qiang; Wei, Wenlong; Li, Xing","Cycloaddition of <i>N</i>-arylnitrones with donor-acceptor oxiranes <i>via</i> C-C bond cleavage to construct 1,5,2-dioxazinanes.","Organic & biomolecular chemistry","2023","21","33","6778","6782","10.1039/d3ob00375b","","x-ray","1.54184","CuKα","","0.0542","0.0484","","","0.1281","0.1331","","","","","","1.055","","","","has coordinates","286183","2023-09-05","20:21:39",""
"7159529","11.7405","0.0007","11.7405","0.0007","16.9107","0.0015","90","","90","","90","","2331","0.3","298","2","298","","","","","","","","","5","P 43","P 4cw","78","","","","- C25 H21 N3 O4 S -","- C25 H21 N3 O4 S -","- C100 H84 N12 O16 S4 -","4","1","","Xue, Aiqi; Wei, Shiqiang; Wei, Xingfu; Huang, Yue; Qu, Jingping; Wang, Baomin","Squaramide-catalyzed asymmetric regioselective allylic alkylation of 4-aminopyrazolones with Morita-Baylis-Hillman carbonates.","Organic & biomolecular chemistry","2023","21","35","7173","7179","10.1039/d3ob01098h","","","0.71073","MoKα","","0.0895","0.058","","","0.1527","0.1722","","","","","","1.017","","","","has coordinates","286798","2023-10-06","00:47:26",""
"7159530","9.8337","0.001","10.0674","0.001","11.425","0.0011","70.975","0.003","81.134","0.003","85.203","0.003","1055.84","0.18","272","","272","","","","","","","","","5","P 1","P 1","1","","","","- C43 H36 Cl5 N4 O5 -","- C43 H36 Cl5 N4 O5 -","- C43 H36 Cl5 N4 O5 -","1","1","","Xue, Aiqi; Wei, Shiqiang; Wei, Xingfu; Huang, Yue; Qu, Jingping; Wang, Baomin","Squaramide-catalyzed asymmetric regioselective allylic alkylation of 4-aminopyrazolones with Morita-Baylis-Hillman carbonates.","Organic & biomolecular chemistry","2023","21","35","7173","7179","10.1039/d3ob01098h","","","0.71073","MoKα","","0.1034","0.0663","","","0.1356","0.1498","","","","","","1.037","","","","has coordinates,has disorder","286798","2023-10-06","00:47:27",""
"7159531","9.941","0.003","15.496","0.004","10.942","0.003","90","","95.198","0.003","90","","1678.6","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Wang, Jiao-Mei; Zhao, Yu; Li, Wen-Ping; Kong, Xiang-Jun; Yao, Chang-Sheng; Zhang, Kai","Synthesis of tetracyclic dibenzo[<i>b</i>,<i>f</i>][1,4]oxazepine-fused β-lactams <i>via</i> visible-light-induced Staudinger annulation.","Organic & biomolecular chemistry","2023","21","35","7106","7114","10.1039/d3ob01078c","","","0.71073","MoKα","","0.0704","0.05","","","0.1257","0.1404","","","","","","1.033","","","","has coordinates","286797","2023-10-06","00:47:20",""
"7159532","13.9007","0.0014","8.9383","0.0008","16.3695","0.0016","90","","100.127","0.003","90","","2002.2","0.3","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26.57 H22.71 O2 -","- C26.569 H22.707 O2 -","- C106.276 H90.828 O8 -","4","1","","Goel, Komal; Satyanarayana, Gedu","A two-step access to fused-/spiro-polycyclic frameworks <i>via</i> double Heck cascade and acid-driven processes.","Organic & biomolecular chemistry","2023","21","34","6919","6925","10.1039/d3ob01112g","","","0.71073","MoKα","","0.1456","0.0771","","","0.2323","0.279","","","","","","1.071","","","","has coordinates","286802","2023-10-06","00:47:52",""
"7159533","9.722","0.005","12.02","0.006","16.073","0.006","90","","90","","90","","1878.3","1.5","273","2","273.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C100 H72 O12 -","4","1","","Goel, Komal; Satyanarayana, Gedu","A two-step access to fused-/spiro-polycyclic frameworks <i>via</i> double Heck cascade and acid-driven processes.","Organic & biomolecular chemistry","2023","21","34","6919","6925","10.1039/d3ob01112g","","","0.71073","MoKα","","0.1723","0.0596","","","0.1217","0.1623","","","","","","0.96","","","","has coordinates","286802","2023-10-06","00:47:52",""
"7159534","14.118","0.003","10.404","0.003","18.151","0.004","90","","101.378","0.009","90","","2613.7","1.1","299","2","299","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 O2 -","- C34 H30 O2 -","- C136 H120 O8 -","4","1","","Goel, Komal; Satyanarayana, Gedu","A two-step access to fused-/spiro-polycyclic frameworks <i>via</i> double Heck cascade and acid-driven processes.","Organic & biomolecular chemistry","2023","21","34","6919","6925","10.1039/d3ob01112g","","","0.71073","MoKα","","0.069","0.0454","","","0.1049","0.1173","","","","","","1.029","","","","has coordinates","286802","2023-10-06","00:47:52",""
"7159535","9.7342","0.0007","12.3271","0.0009","21.0097","0.0015","98.273","0.002","95.45","0.002","104.946","0.002","2387.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C104 H100 N4 O20 S4 -","4","2","","Raji Reddy, Chada; Fatima, Sana; Kolgave, Dattahari H.; Sridhar, Balasubramanian","Radical-mediated sulfonylative/thiolative cyclization of biaryl enones to phenanthrone derivatives.","Organic & biomolecular chemistry","2023","21","36","7327","7338","10.1039/d3ob01068f","","","0.71073","MoKα","","0.1215","0.0641","","","0.1422","0.1715","","","","","","1.009","","","","has coordinates,has disorder","286792","2023-10-06","00:46:14",""
"7159536","14.441","0.004","4.9171","0.0015","25.385","0.007","90","","103.485","0.009","90","","1752.8","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O2 S -","- C23 H20 O2 S -","- C92 H80 O8 S4 -","4","1","","Raji Reddy, Chada; Fatima, Sana; Kolgave, Dattahari H.; Sridhar, Balasubramanian","Radical-mediated sulfonylative/thiolative cyclization of biaryl enones to phenanthrone derivatives.","Organic & biomolecular chemistry","2023","21","36","7327","7338","10.1039/d3ob01068f","","","0.71073","MoKα","","0.1519","0.0772","","","0.1856","0.2386","","","","","","1.002","","","","has coordinates","286792","2023-10-06","00:46:14",""
"7159537","10.448","0.009","11.226","0.009","14.378","0.012","111.204","0.017","98.515","0.018","95.224","0.019","1536","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H46 O2 -","- C35 H46 O2 -","- C70 H92 O4 -","2","1","","Wang, Kunpeng; Li, Jingping; Zhang, Haoxiang; Chen, Yan; Li, Mengfan; Xu, Junju; Liao, Benren; Yi, Weiyin","DMSO-promoted direct δ-selective arylation of <i>p</i>-quinone methenylpiperidine bearinides to generate fuchsones under metal-free conditions by employing <i>p</i>-QMs themselves or substituted phenols as aryl sources.","Organic & biomolecular chemistry","2023","21","35","7151","7157","10.1039/d3ob01018j","","","0.71073","MoKα","","0.2475","0.0965","","","0.2324","0.2933","","","","","","1.035","","","","has coordinates,has disorder","286799","2023-10-06","00:47:32",""
"7159538","9.131","0.0004","8.5709","0.0003","13.8389","0.0005","90","","91.507","0.002","90","","1082.67","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Benzyl-3-phenyl-4-(phenylethynyl)-5-(thiophen-2-yl)-1H-pyrrole","","- C29 H21 N S -","- C29 H21 N S -","- C58 H42 N2 S2 -","2","1","","Schmidt, Elena Yu; Tatarinova, Inna V.; Lobanova, Natal'ya A.; Ushakov, Igor A.; Bagryanskaya, Irina Yu; Trofimov, Boris A.","Rapid, room-temperature self-organization of polyarylated 1<i>H</i>-pyrroles from acetylenes and nitriles in the KOBu<sup><i>t</i></sup>/DMSO system.","Organic & biomolecular chemistry","2023","21","35","7209","7218","10.1039/d3ob01311a","","","0.71073","MoKα","","0.045","0.033","","","0.0703","0.0756","","","","","","1.022","","","","has coordinates,has disorder","286800","2023-10-06","00:47:37",""
"7159539","8.2694","0.00012","11.01204","0.00019","12.41759","0.00017","66.2311","0.0015","74.671","0.0013","76.7962","0.0014","988.49","0.03","99.95","0.16","99.95","0.16","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O5 -","- C22 H22 N4 O5 -","- C44 H44 N8 O10 -","2","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0373","0.0354","","","0.0922","0.0935","","","","","","1.035","","","","has coordinates","286795","2023-10-06","00:47:01",""
"7159540","11.6926","0.0001","11.7439","0.0001","13.5914","0.0001","90","","97.317","0.001","90","","1851.13","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0406","0.039","","","0.1034","0.105","","","","","","1.031","","","","has coordinates","286795","2023-10-06","00:47:01",""
"7159541","19.5566","0.0002","9.6517","0.0001","21.0321","0.0002","90","","95.94","0.001","90","","3948.59","0.07","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H23 N5 O5 -","- C19 H23 N5 O5 -","- C152 H184 N40 O40 -","8","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0567","0.0562","","","0.1258","0.126","","","","","","1.285","","","","has coordinates,has disorder","286795","2023-10-06","00:47:01",""
"7159542","10.0344","0.0001","10.7052","0.0001","11.2666","0.0001","70.496","0.001","89.354","0.001","79.094","0.001","1118.45","0.02","99.97","0.1","99.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 N3 O5 S -","- C24 H29 N3 O5 S -","- C48 H58 N6 O10 S2 -","2","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0335","0.0333","","","0.0898","0.09","","","","","","1.051","","","","has coordinates,has disorder","286795","2023-10-06","00:47:01",""
"7159543","9.1768","0.0003","9.47","0.0003","21.5491","0.0008","90","","90","","90","","1872.71","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","","0.71073","MoKα","","0.0367","0.0332","","","0.086","0.0889","","","","","","1.062","","","","has coordinates","286795","2023-10-06","00:47:01",""
"7159544","9.8084","0.0001","14.3535","0.0001","12.2463","0.0001","90","","108.403","0.001","90","","1635.92","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0377","0.0369","","","0.0938","0.0944","","","","","","1.061","","","","has coordinates","286795","2023-10-06","00:47:01",""
"7159545","19.321","0.0002","7.16745","0.00008","20.949","0.0003","90","","110.033","0.0014","90","","2725.53","0.06","100","0.2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N4 O6 -","- C30 H32 N4 O6 -","- C120 H128 N16 O24 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","","1.54184","CuKα","","0.0481","0.0413","","","0.1061","0.1108","","","","","","1.054","","","","has coordinates","286795","2023-10-06","00:47:01",""
"7159546","13.407","0.002","7.2877","0.0013","9.884","0.0017","90","","90","","90","","965.7","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H11 F O2 S -","- C9 H11 F O2 S -","- C36 H44 F4 O8 S4 -","4","0.5","","Ma, Yuyang; Pan, Qijun; Ou, Caiyun; Cai, Yinxia; Ma, Xiaoyu; Liu, Chao","Aryl sulfonyl fluoride synthesis <i>via</i> organophotocatalytic fluorosulfonylation of diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","37","7597","7601","10.1039/d3ob01200j","","","0.71073","MoKα","","0.0471","0.0402","","","0.1178","0.1253","","","","","","1.114","","","","has coordinates,has disorder","286784","2023-10-06","00:44:20",""
"7159547","11.3559","0.0004","8.1137","0.0002","16.0334","0.0004","90","","101.324","0.003","90","","1448.53","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Peng, Rui-Jun; Chen, Yuan; Zhang, Xue-Jing; Yan, Ming","Regioselective <i>ortho</i> C-H insertion of <i>N</i>-nitrosoanilines with naphthoquinone carbenes.","Organic & biomolecular chemistry","2023","21","37","7525","7529","10.1039/d3ob01104f","","x-ray","1.54184","CuKα","","0.0483","0.0429","","","0.1177","0.1226","","","","","","1.079","","","","has coordinates","286786","2023-10-06","00:44:32",""
"7159548","8.1543","0.0002","10.425","0.0002","12.7925","0.0003","66.467","0.001","77.14","0.001","80.707","0.001","968.81","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Br4 N2 O6 S2 -","- C34 H30 Br4 N2 O6 S2 -","- C34 H30 Br4 N2 O6 S2 -","1","0.5","","Ren, Hai; Wang, Rui-An; Shi, Jun; Song, Jun-Rong; Wu, Wei; Chi, Qin; Zhang, Ni","Electrochemical bromocyclization enables 3,5-diversification of heterocyclic indolines.","Organic & biomolecular chemistry","2023","21","36","7290","7294","10.1039/d3ob00985h","","","1.54178","CuKα","","0.0485","0.041","","","0.1077","0.113","","","","","","1.056","","","","has coordinates","286794","2023-10-06","00:46:49",""
"7159549","11.5249","0.0009","11.4884","0.001","22.947","0.003","90","","98.346","0.008","90","","3006.1","0.5","114.85","0.1","114.85","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","2","","Lan, Wenjie; Yu, Xuan; Li, Mengzhu; Lei, Rongchao; Qin, Zhaohai; Fu, Bin","A concise approach to 2-pyrrolin-5-one scaffold construction from α-halohydroxamates and β-keto compounds.","Organic & biomolecular chemistry","2023","21","37","7535","7540","10.1039/d3ob01140b","","x-ray","0.71073","MoKα","","0.071","0.0551","","","0.1118","0.1253","","","","","","1.023","","","","has coordinates","286788","2023-10-06","00:44:46",""
"7159550","8.3944","0.0005","10.9479","0.0008","15.5175","0.0009","76.896","0.006","86.581","0.005","70.851","0.006","1311.92","0.16","118.25","0.1","118.25","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N4 O6 -","- C29 H26 N4 O6 -","- C58 H52 N8 O12 -","2","1","","Lan, Wenjie; Yu, Xuan; Li, Mengzhu; Lei, Rongchao; Qin, Zhaohai; Fu, Bin","A concise approach to 2-pyrrolin-5-one scaffold construction from α-halohydroxamates and β-keto compounds.","Organic & biomolecular chemistry","2023","21","37","7535","7540","10.1039/d3ob01140b","","x-ray","0.71073","MoKα","","0.1261","0.0764","","","0.1665","0.2052","","","","","","1.021","","","","has coordinates","286788","2023-10-06","00:44:46",""
"7159551","8.9695","0.0004","10.9993","0.0005","11.5562","0.0005","62.1699","0.001","79.6611","0.001","79.0306","0.001","984.41","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N2 O8 -","- C44 H46 N2 O8 -","- C44 H46 N2 O8 -","1","0.5","","Budnikov, Alexander S.; Krylov, Igor B.; Lastovko, Andrey V.; Dolotov, Roman A.; Shevchenko, Mikhail I.; Terent'ev, Alexander O.","The diacetyliminoxyl radical in oxidative functionalization of alkenes.","Organic & biomolecular chemistry","2023","21","38","7758","7766","10.1039/d3ob00925d","","","0.71073","MoKα","","0.0653","0.0474","","","0.1074","0.1208","","","","","","1.052","","","","has coordinates,has disorder","286807","2023-10-06","00:48:37",""
"7159552","11.2566","0.0002","5.4186","0.0001","18.4668","0.0003","90","","92.997","0.001","90","","1124.84","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C48 H48 N4 O12 -","2","0.5","","Budnikov, Alexander S.; Krylov, Igor B.; Lastovko, Andrey V.; Dolotov, Roman A.; Shevchenko, Mikhail I.; Terent'ev, Alexander O.","The diacetyliminoxyl radical in oxidative functionalization of alkenes.","Organic & biomolecular chemistry","2023","21","38","7758","7766","10.1039/d3ob00925d","","x-ray","1.54184","CuKα","","0.0466","0.0441","","","0.1203","0.1223","","","","","","1.1","","","","has coordinates","286807","2023-10-06","00:48:37",""
"7159553","11.6766","0.0003","15.178","0.0004","12.1389","0.0003","90","","104.95","0.002","90","","2078.53","0.09","99.9","0.2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C96 H88 N8 O20 -","4","1","","Budnikov, Alexander S.; Krylov, Igor B.; Lastovko, Andrey V.; Dolotov, Roman A.; Shevchenko, Mikhail I.; Terent'ev, Alexander O.","The diacetyliminoxyl radical in oxidative functionalization of alkenes.","Organic & biomolecular chemistry","2023","21","38","7758","7766","10.1039/d3ob00925d","","","1.54184","CuKα","","0.0707","0.0655","","","0.174","0.1776","","","","","","1.044","","","","has coordinates,has disorder","286807","2023-10-06","00:48:37",""
"7159554","7.3422","0.0016","14.469","0.003","13.051","0.003","90","","102.207","0.007","90","","1355.1","0.5","273","","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 S6 -","- C32 H24 S6 -","- C64 H48 S12 -","2","0.5","","Mishra, Vishnu; Udaya, Hosahalli S.; Anand, Venkataramanarao G.","Tetra S-confused porphyrinoids.","Organic & biomolecular chemistry","2023","21","38","7691","7695","10.1039/d3ob01270k","","","0.71073","MoKα","","0.1023","0.0551","","","0.1449","0.1724","","","","","","1.025","","","","has coordinates","286808","2023-10-06","00:48:45",""
"7159555","5.446","0.003","12.775","0.006","22.985","0.01","76.667","0.015","88.76","0.015","81.168","0.015","1537.4","1.3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 S6 -","- C36 H30 S6 -","- C72 H60 S12 -","2","1","","Mishra, Vishnu; Udaya, Hosahalli S.; Anand, Venkataramanarao G.","Tetra S-confused porphyrinoids.","Organic & biomolecular chemistry","2023","21","38","7691","7695","10.1039/d3ob01270k","","","0.71073","MoKα","","0.2341","0.08","","","0.1615","0.2278","","","","","","0.885","","","","has coordinates","286808","2023-10-06","00:48:46",""
"7159556","23.035","0.004","4.0257","0.0006","23.664","0.004","90","","114.896","0.004","90","","1990.5","0.6","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 S4 -","- C24 H20 S4 -","- C96 H80 S16 -","4","0.5","","Mishra, Vishnu; Udaya, Hosahalli S.; Anand, Venkataramanarao G.","Tetra S-confused porphyrinoids.","Organic & biomolecular chemistry","2023","21","38","7691","7695","10.1039/d3ob01270k","","","0.71073","MoKα","","0.0682","0.0401","","","0.088","0.0989","","","","","","1.022","","","","has coordinates","286808","2023-10-06","00:48:46",""
"7159557","15.595","0.006","17.734","0.007","17.811","0.007","90","","108.212","0.009","90","","4679","3","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C84 H20 S4 -","- C84 H20 S4 -","- C336 H80 S16 -","4","1","","Mishra, Vishnu; Udaya, Hosahalli S.; Anand, Venkataramanarao G.","Tetra S-confused porphyrinoids.","Organic & biomolecular chemistry","2023","21","38","7691","7695","10.1039/d3ob01270k","","","0.71073","MoKα","","0.2907","0.0938","","","0.182","0.2646","","","","","","0.971","","","","has coordinates","286808","2023-10-06","00:48:46",""
"7159558","27.6191","0.0012","9.9208","0.0005","20.1969","0.0008","90","","120.649","0.002","90","","4761","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C200 H232 N8 O24 -","8","1","","Winge, Tobias; Schepmann, Dirk; Schmidt, Judith; Daniliuc, Constantin; Würthwein, Ernst-Ulrich; Wünsch, Bernhard","Diastereoselective synthesis and structure-affinity relationships of <i>σ</i><sub>1</sub> receptor ligands with spirocyclic scaffold.","Organic & biomolecular chemistry","2023","21","38","7730","7752","10.1039/d3ob01169k","","x-ray","1.54178","CuKα","","0.075","0.05","","","0.113","0.1257","","","","","","1.033","","","","has coordinates","286804","2023-10-06","00:48:13",""
"7159559","9.8436","0.0004","18.806","0.0007","18.806","0.0007","90","","90","","90","","3481.3","0.2","273.15","","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ukaji 6","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","","Ohno, Haruki; Takahashi, Ryosuke; Suga, Takuya; Soeta, Takahiro; Ukaji, Yutaka","Divergent transformation of <i>C</i>,<i>N</i>-cyclic-<i>N</i>'-acyl azomethine imines by reaction with diazo compounds.","Organic & biomolecular chemistry","2023","21","39","7891","7894","10.1039/d3ob01165h","","","1.54178","CuKα","","0.0369","0.0347","","","0.0853","0.0871","","","","","","1.038","","","","has coordinates","287415","2023-11-06","08:21:55",""
"7159560","4.9174","0.0003","16.0704","0.0009","11.619","0.0007","90","","90.199","0.003","90","","918.18","0.09","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ukaji 4a","","- C20 H20 N4 O3 -","- C20 H20 N4 O3 -","- C40 H40 N8 O6 -","2","1","","Ohno, Haruki; Takahashi, Ryosuke; Suga, Takuya; Soeta, Takahiro; Ukaji, Yutaka","Divergent transformation of <i>C</i>,<i>N</i>-cyclic-<i>N</i>'-acyl azomethine imines by reaction with diazo compounds.","Organic & biomolecular chemistry","2023","21","39","7891","7894","10.1039/d3ob01165h","","","1.54178","CuKα","","0.0573","0.0562","","","0.1587","0.1597","","","","","","1.075","","","","has coordinates,has disorder","287415","2023-11-06","08:21:58",""
"7159561","27.15","0.05","9.961","0.016","8.81","0.015","90","","90.85","0.04","90","","2382","7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Fan, Yongbo; Xu, Shengting; Cai, Xinxin; Hou, Zhijing; Chen, Tianxiang; Fu, Guozhang; Zhu, Zhongzhi; Chen, Xiuwen","Bifunctionalization of styrene through ring-opening-recombination strategy of phenylpropathiazole salt.","Organic & biomolecular chemistry","2023","21","37","7593","7596","10.1039/d3ob01271a","","","0.71073","MoKα","","0.1734","0.0789","","","0.1554","0.1893","","","","","","1.052","","","","has coordinates","286787","2023-10-06","00:44:39",""
"7159562","9.131","0.0004","8.5709","0.0003","13.8389","0.0005","90","","91.507","0.002","90","","1082.67","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Benzyl-3-phenyl-4-(phenylethynyl)-5-(thiophen-2-yl)-1H-pyrrole","","- C29 H21 N S -","- C29 H21 N S -","- C58 H42 N2 S2 -","2","1","","Xie, Xin; Huang, He; Fan, Yu; Luo, Yuan; Pang, Qiwen; Li, Xiang; Huang, Wei","Assembly of spirocyclic pyrazolone-pyrrolo[4,3,2-<i>de</i>]quinoline skeleton <i>via</i> cascade [1,5] hydride transfer/cyclization by C(sp<sup>3</sup>)-H functionalization.","Organic & biomolecular chemistry","2023","21","36","7300","7304","10.1039/d3ob01063e","","","0.71073","MoKα","","0.045","0.033","","","0.0703","0.0756","","","","","","1.022","","","","has coordinates,has disorder","286791","2023-10-06","00:46:06",""
"7159563","24.2499","0.0008","8.8129","0.0003","20.6678","0.0006","90","","108.763","0.001","90","","4182.2","0.2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O3 -","- C26 H24 O3 -","- C208 H192 O24 -","8","2","","Jantrapirom, Jantra; Yongpanich, Phornphan; Tummatorn, Jumreang; Chainok, Kittipong; Jiajaroen, Suwadee; Thongsornkleeb, Charnsak; Ruchirawat, Somsak","Selective electrophilic cyclization of <i>ortho</i>-carbonylarylacetylenols for the synthesis of cyclopenta[<i>a</i>]naphthalenol and 2-phenylnaphthalen-1-ol analogs.","Organic & biomolecular chemistry","2023","21","42","8500","8515","10.1039/d3ob01344h","","x-ray","0.71073","MoKα","K-L~3~","0.0931","0.0577","","","0.1306","0.1503","","","","","","1.054","","","","has coordinates,has disorder","287410","2023-11-06","08:20:59",""
"7159564","8.9346","0.0005","10.7463","0.0006","11.7878","0.0006","67.915","0.002","80.436","0.002","65.89","0.001","957.15","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 Cl O2 -","- C26 H21 Cl O2 -","- C52 H42 Cl2 O4 -","2","1","","Jantrapirom, Jantra; Yongpanich, Phornphan; Tummatorn, Jumreang; Chainok, Kittipong; Jiajaroen, Suwadee; Thongsornkleeb, Charnsak; Ruchirawat, Somsak","Selective electrophilic cyclization of <i>ortho</i>-carbonylarylacetylenols for the synthesis of cyclopenta[<i>a</i>]naphthalenol and 2-phenylnaphthalen-1-ol analogs.","Organic & biomolecular chemistry","2023","21","42","8500","8515","10.1039/d3ob01344h","","x-ray","1.54178","CuKα","K-L~3~","0.0434","0.0429","","","0.12","0.1204","","","","","","1.089","","","","has coordinates,has disorder","287410","2023-11-06","08:20:59",""
"7159565","8.672","0.002","10.126","0.003","12.865","0.004","80.213","0.01","76.589","0.009","67.977","0.009","1014.4","0.5","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","1","","Jantrapirom, Jantra; Yongpanich, Phornphan; Tummatorn, Jumreang; Chainok, Kittipong; Jiajaroen, Suwadee; Thongsornkleeb, Charnsak; Ruchirawat, Somsak","Selective electrophilic cyclization of <i>ortho</i>-carbonylarylacetylenols for the synthesis of cyclopenta[<i>a</i>]naphthalenol and 2-phenylnaphthalen-1-ol analogs.","Organic & biomolecular chemistry","2023","21","42","8500","8515","10.1039/d3ob01344h","","x-ray","0.71073","MoKα","K-L~3~","0.0917","0.0732","","","0.1588","0.1683","","","","","","1.099","","","","has coordinates,has disorder","287410","2023-11-06","08:20:59",""
"7159566","16.4838","0.0004","11.3226","0.0003","8.5334","0.0002","90","","98.046","0.001","90","","1576.99","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl O2 -","- C19 H15 Cl O2 -","- C76 H60 Cl4 O8 -","4","1","","Sreenivasulu, Gottam; Sridhar, Balasubramanian; Karunakar, Galla V.","Dual gold-catalyzed regioselective synthesis of benzofulvenes <i>via</i> 5-<i>endo dig</i> cyclization.","Organic & biomolecular chemistry","2023","21","38","7799","7807","10.1039/d3ob01079a","","","0.71073","MoKα","","0.0953","0.046","","","0.1168","0.1462","","","","","","1.018","","","","has coordinates","286806","2023-10-06","00:48:29",""
"7159567","20.6627","0.0008","5.9304","0.0002","23.2569","0.0009","90","","114.236","0.001","90","","2598.68","0.17","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C132 H112 N8 O16 -","4","1","","Hao, Liqiang; Wang, Zhichao; Wang, Yangyang; Yang, Zhaoziyuan; Liu, Xian; Xu, Xiaobo; Ji, Yafei","Synthesis of pyrazoles from sulfonyl hydrazone and benzyl acrylate under transition-metal-free conditions.","Organic & biomolecular chemistry","2023","21","37","7611","7615","10.1039/d3ob01172k","","","1.54178","CuKα","","0.0463","0.037","","","0.0944","0.0968","","","","","","1.098","","","","has coordinates,has disorder","286785","2023-10-06","00:44:26",""
"7159568","10.264","0.003","8.475","0.002","22.934","0.006","90","","94.71","0.03","90","","1988.2","0.9","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O3 S2 -","- C22 H20 O3 S2 -","- C88 H80 O12 S8 -","4","1","","Yu, Shi-Wei; Chen, Zu-Jia; Chen, Zhao-Hua; Chen, Si-Hong; Yang, Kai; Xu, Wen-Jin; Wang, Zhao-Yang","Trace water in a BF<sub>3</sub>·OEt<sub>2</sub> system: a facile access to sulfinyl alkenylsulfones from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2023","21","38","7776","7781","10.1039/d3ob01249b","","x-ray","0.71073","MoKα","","0.1266","0.0718","","","0.136","0.1606","","","","","","1.062","","","","has coordinates","286805","2023-10-06","00:48:19",""
"7159569","8.4367","0.0009","10.2011","0.0007","24.4853","0.0015","101.895","0.006","92.033","0.007","91.343","0.007","2059.7","0.3","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F O3 S2 -","- C22 H19 F O3 S2 -","- C88 H76 F4 O12 S8 -","4","2","","Yu, Shi-Wei; Chen, Zu-Jia; Chen, Zhao-Hua; Chen, Si-Hong; Yang, Kai; Xu, Wen-Jin; Wang, Zhao-Yang","Trace water in a BF<sub>3</sub>·OEt<sub>2</sub> system: a facile access to sulfinyl alkenylsulfones from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2023","21","38","7776","7781","10.1039/d3ob01249b","","x-ray","0.71073","MoKα","","0.0999","0.0614","","","0.114","0.133","","","","","","1.057","","","","has coordinates","286805","2023-10-06","00:48:19",""
"7159570","7.7599","0.0008","11.1126","0.0009","24.7491","0.0014","82.51","0.006","83.524","0.007","69.585","0.009","1977.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 I2 N4 Se2 -","- C44 H46 I2 N4 Se2 -","- C88 H92 I4 N8 Se4 -","2","1","","Mondal, Iswar Chandra; Rawat, Priya; Galkin, Maksym; Deka, Snata; Karmakar, Anirban; Mondal, Prosenjit; Ghosh, Subrata","Julolidine-based small molecular probes for fluorescence imaging of RNA in live cells.","Organic & biomolecular chemistry","2023","21","38","7831","7840","10.1039/d3ob01314f","","","1.54184","CuKα","","0.0594","0.0504","","","0.1304","0.142","","","","","","0.972","","","","has coordinates","286803","2023-10-06","00:48:01",""
"7159571","7.6612","0.0003","8.6533","0.0003","8.7731","0.0003","107.81","0.0012","94.3444","0.0013","95.6658","0.0013","547.57","0.03","180","","180","","","","","","","","","5","P -1","-P 1","2","","1-(perfluoroethyl)-1H-indole-2-carboxylic acid","","- C11 H6 F5 N O2 -","- C11 H6 F5 N O2 -","- C22 H12 F10 N2 O4 -","2","1","","Bakhanovich, Olga; Klepetářová, Blanka; Beier, Petr","Rhodium(II)-catalyzed transannulation approach to <i>N</i>-fluoroalkylated indoles.","Organic & biomolecular chemistry","2023","21","39","7924","7927","10.1039/d3ob01415k","","x-ray","1.54178","CuKα","","0.0438","0.0438","","0.0555","0.0555","0.0555","","","","","","1.0102","","","","has coordinates","287414","2023-11-06","08:21:35",""
"7159572","8.8519","0.0009","9.9144","0.0011","12.8442","0.0014","108.28","0.001","93.063","0.001","108.366","0.001","1001.21","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","1","","He, Heng; Liu, Jian-Quan; Wang, Xiang-Shan","Synthesis of pyrimidine-fused skeletons through copper-catalyzed consecutive Sonogashira coupling and aminocyclization.","Organic & biomolecular chemistry","2023","21","39","7886","7890","10.1039/d3ob01248d","","","0.71073","MoKα","","0.0474","0.0415","","","0.1137","0.1201","","","","","","1.057","","","","has coordinates","287418","2023-11-06","08:22:51",""
"7159573","11.023","0.004","14.004","0.006","13.233","0.005","90","","114.61","","90","","1857.2","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N2 O -","- C26 H18 N2 O -","- C104 H72 N8 O4 -","4","1","","He, Heng; Liu, Jian-Quan; Wang, Xiang-Shan","Synthesis of pyrimidine-fused skeletons through copper-catalyzed consecutive Sonogashira coupling and aminocyclization.","Organic & biomolecular chemistry","2023","21","39","7886","7890","10.1039/d3ob01248d","","","0.71073","MoKα","","0.0762","0.0441","","","0.0802","0.0854","","","","","","0.968","","","","has coordinates","287418","2023-11-06","08:22:53",""
"7159574","9.81","0.007","10.948","0.008","11.015","0.008","61.711","0.008","82.606","0.009","76.072","0.009","1010.9","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N4 O -","- C24 H22 N4 O -","- C48 H44 N8 O2 -","2","1","","He, Heng; Liu, Jian-Quan; Wang, Xiang-Shan","Synthesis of pyrimidine-fused skeletons through copper-catalyzed consecutive Sonogashira coupling and aminocyclization.","Organic & biomolecular chemistry","2023","21","39","7886","7890","10.1039/d3ob01248d","","","0.71073","MoKα","","0.0578","0.0482","","","0.132","0.142","","","","","","1.04","","","","has coordinates","287418","2023-11-06","08:22:58",""
"7159575","8.09","0.004","11.34","0.006","15.677","0.008","73.356","0.017","87.625","0.016","79.487","0.017","1354.7","1.2","188","","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H20 N4 O5 S -","- C31 H20 N4 O5 S -","- C62 H40 N8 O10 S2 -","2","1","","Banik, Dipanjan; Karak, Anirban; Halder, Satyajit; Banerjee, Shilpita; Mandal, Moumi; Maiti, Anwesha; Jana, Kuladip; Mahapatra, Ajit Kumar","A turn-on fluorescent probe for selective detection of H<sub>2</sub>S in environmental samples and bio-imaging in human breast cancer cells.","Organic & biomolecular chemistry","2023","21","39","8020","8030","10.1039/d3ob01319g","","","0.71073","MoKα","","0.0929","0.0711","","","0.2105","0.242","","","","","","1.008","","","","has coordinates","287417","2023-11-06","08:22:35",""
"7159576","6.1315","0.0004","10.338","0.0007","23.2076","0.0016","90","","90","","90","","1471.07","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C56 H64 N8 O24 -","4","1","","Teo, Hong Kang; Sae-Lao, Patcharaporn; Bates, Roderick W.","Confirmation of the structure of (±)-preisomide by total synthesis.","Organic & biomolecular chemistry","2023","21","39","7954","7959","10.1039/d3ob01250f","","","1.54178","CuKα","","0.032","0.0315","","","0.0889","0.0892","","","","","","1.534","","","","has coordinates","287416","2023-11-06","08:22:16",""
"7159577","10.1865","0.0003","8.189","0.00017","19.2034","0.0004","90","","96.644","0.002","90","","1591.14","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 S2 -","- C17 H26 S2 -","- C68 H104 S8 -","4","1","","Degroote, Frederick; Denoo, Bram; Ryckaert, Bram; Callebaut, Brenda; Van Hecke, Kristof; Hullaert, Jan; Winne, Johan M.","Dithioallyl cation (3 + 2) cycloadditions under aprotic reaction conditions: rapid access to spiro-fused cyclopentane scaffolds.","Organic & biomolecular chemistry","2023","21","40","8117","8124","10.1039/d3ob01273e","","x-ray","1.54184","CuKα","","0.0317","0.0295","","","0.079","0.081","","","","","","1.05","","","","has coordinates","287419","2023-11-06","08:23:29",""
"7159578","9.22","0.003","27.478","0.009","8.339","0.003","90","","118.518","0.011","90","","1856.3","1.1","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H16 Br N O6 -","- C17 H16 Br N O6 -","- C68 H64 Br4 N4 O24 -","4","1","","Li, Yu; Wang, Mei; Ma, Rongrong; Niu, Rui; Wang, Haodong; Zhang, Yantu; Lin, Jun-Bing","Organocatalytic allylic alkylation of alkyne-substituted MBH carbonates: access to quaternary carbon-containing 1,4-enynes.","Organic & biomolecular chemistry","2023","21","41","8263","8266","10.1039/d3ob01317k","","x-ray","0.71073","MoKα","","0.0622","0.0398","","","0.0831","0.0926","","","","","","1.033","","","","has coordinates","287407","2023-11-06","08:19:46",""
"7159579","9.065","0.002","14.72","0.003","31.665","0.009","102.672","0.011","97.28","0.012","94.451","0.007","4064.8","1.7","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O8 -","- C19 H21 N O8 -","- C152 H168 N8 O64 -","8","4","","Li, Yu; Wang, Mei; Ma, Rongrong; Niu, Rui; Wang, Haodong; Zhang, Yantu; Lin, Jun-Bing","Organocatalytic allylic alkylation of alkyne-substituted MBH carbonates: access to quaternary carbon-containing 1,4-enynes.","Organic & biomolecular chemistry","2023","21","41","8263","8266","10.1039/d3ob01317k","","x-ray","0.71073","MoKα","","0.1931","0.111","","","0.2854","0.3516","","","","","","1.049","","","","has coordinates,has disorder","287407","2023-11-06","08:19:46",""
"7159580","10.1369","0.0007","11.3965","0.0008","15.5049","0.0011","90","","98.344","0.007","90","","1772.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","He, Fengya; Sun, Ziyi; Li, Chenyue; Jiang, Zibin; Miao, Hui; Li, Qinglin; Wu, Chenggui","Regioselective [2 + 1] photocycloaddition of 2-pyridones with diazo compounds.","Organic & biomolecular chemistry","2023","21","41","8273","8278","10.1039/d3ob01354e","","x-ray","0.71073","MoKα","","0.0711","0.0512","","","0.1366","0.1496","","","","","","1.072","","","","has coordinates","287403","2023-11-06","08:18:11",""
"7159581","11.0203","0.0006","12.3994","0.0006","13.7932","0.0008","90","","110.799","0.006","90","","1761.95","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","He, Fengya; Sun, Ziyi; Li, Chenyue; Jiang, Zibin; Miao, Hui; Li, Qinglin; Wu, Chenggui","Regioselective [2 + 1] photocycloaddition of 2-pyridones with diazo compounds.","Organic & biomolecular chemistry","2023","21","41","8273","8278","10.1039/d3ob01354e","","x-ray","0.71073","MoKα","","0.0767","0.0564","","","0.1754","0.192","","","","","","1.055","","","","has coordinates","287403","2023-11-06","08:18:18",""
"7159582","13.9327","0.0003","11.0108","0.0003","19.2787","0.0004","90","","103.663","0.002","90","","2873.86","0.12","300.89","0.1","300.89","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N4 -","- C36 H36 N4 -","- C144 H144 N16 -","4","1","","Zhang, Yi-Fan; Chen, Han-Nan; Xiao, Yi; Cui, Zhencun; Wang, Wei David; Xu, Guo-Qiang","Organic photoredox catalyzed C(sp<sup>3</sup>)-H functionalization of saturated aza-heterocycles <i>via</i> a cross-dehydrogenative coupling reaction.","Organic & biomolecular chemistry","2023","21","41","8284","8288","10.1039/d3ob01438j","","x-ray","1.54184","CuKα","","0.0566","0.0406","","","0.1128","0.1229","","","","","","1.055","","","","has coordinates","287405","2023-11-06","08:19:17",""
"7159583","5.8727","0.0002","9.1764","0.0003","15.6457","0.0005","76.228","0.001","82.963","0.001","83.75","0.001","809.96","0.05","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 Br O4 -","- C18 H15 Br O4 -","- C36 H30 Br2 O8 -","2","1","","Yan, Maying; Xiao, Lei; Xiong, Jiangkun; Jin, Lvnan; Stephan, Douglas W.; Guo, Jing","Borane catalyzed transesterification of <i>tert</i>-butyl esters using α-aryl α-diazoesters.","Organic & biomolecular chemistry","2023","21","41","8279","8283","10.1039/d3ob01548c","","","1.54178","CuKα","","0.0304","0.0292","","","0.0685","0.0693","","","","","","1.063","","","","has coordinates","287404","2023-11-06","08:18:45",""
"7159584","8.7254","0.0005","11.1393","0.0006","12.4388","0.0007","85.519","0.002","73.196","0.002","87.607","0.002","1153.59","0.11","294","2","294","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Br N O5 -","- C26 H20 Br N O5 -","- C52 H40 Br2 N2 O10 -","2","1","","Yan, Maying; Xiao, Lei; Xiong, Jiangkun; Jin, Lvnan; Stephan, Douglas W.; Guo, Jing","Borane catalyzed transesterification of <i>tert</i>-butyl esters using α-aryl α-diazoesters.","Organic & biomolecular chemistry","2023","21","41","8279","8283","10.1039/d3ob01548c","","","1.54178","CuKα","","0.0431","0.038","","","0.0916","0.0955","","","","","","1.058","","","","has coordinates","287404","2023-11-06","08:18:52",""
"7159585","15.6014","0.0004","16.7367","0.0004","17.4153","0.0004","90","","90","","90","","4547.41","0.19","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C200 H216 N8 O40 -","8","1","","Yan, Maying; Xiao, Lei; Xiong, Jiangkun; Jin, Lvnan; Stephan, Douglas W.; Guo, Jing","Borane catalyzed transesterification of <i>tert</i>-butyl esters using α-aryl α-diazoesters.","Organic & biomolecular chemistry","2023","21","41","8279","8283","10.1039/d3ob01548c","","","1.54178","CuKα","","0.0575","0.0463","","","0.1213","0.1305","","","","","","1.059","","","","has coordinates","287404","2023-11-06","08:18:55",""
"7159586","7.7332","0.0003","8.4891","0.0004","24.0949","0.0009","90","","95.619","0.002","90","","1574.18","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","relB82 - 17ECA001","","","- C32 H47 N O5 Si -","- C32 H47 N O5 Si -","- C64 H94 N2 O10 Si2 -","2","1","","Reza, David; Balo, Rosalino; Otero, José M; Fletcher, Ai M.; García-Fandino, Rebeca; Sánchez-Pedregal, Víctor M; Davies, Stephen G.; Estévez, Ramón J; Estévez, Juan C","β-Peptides incorporating polyhydroxylated cyclohexane β-amino acid: synthesis and conformational study.","Organic & biomolecular chemistry","2023","21","42","8535","8547","10.1039/d3ob00906h","","","0.71073","MoKα","","0.051","0.0424","","","0.0817","0.0849","","","","","","1.052","","","","has coordinates","287411","2023-11-06","08:21:09",""
"7159587","8.0778","0.0005","20.7672","0.0014","11.4161","0.0008","90","","98.705","0.005","90","","1893","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C92 H72 N8 O12 S4 -","4","1","","Kahar, Nilesh M.; Jadhav, Pankaj P.; Dawande, Sudam G.","Rhodium(II)-catalyzed synthesis of 2-aminoquinoline derivatives from 2-quinolones and <i>N</i>-sulfonyl-1,2,3-triazoles.","Organic & biomolecular chemistry","2023","21","41","8267","8272","10.1039/d3ob00971h","","x-ray","0.71073","MoKα","","0.0839","0.0523","","","0.1103","0.1216","","","","","","1.05","","","","has coordinates","287406","2023-11-06","08:19:29",""
"7159588","10.1642","0.0002","11.1077","0.0002","12.6071","0.0002","67.633","0.002","85.524","0.001","70.287","0.002","1237.05","0.05","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl N2 O4 S -","- C27 H25 Cl N2 O4 S -","- C54 H50 Cl2 N4 O8 S2 -","2","1","","Rao, Han-Wen; Zhao, Tian-Lan; Wang, Long; Deng, Hong-Dan; Zhang, Yan-Ping; You, Yong; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng","Palladium-catalyzed decarboxylative α-allylation of thiazolidinones and azlactones with sulfonamido-substituted acyclic allylic carbonates.","Organic & biomolecular chemistry","2023","21","42","8593","8602","10.1039/d3ob01404e","","x-ray","1.54184","CuKα","","0.0373","0.0365","","","0.0976","0.0982","","","","","","1.05","","","","has coordinates","287412","2023-11-06","08:21:18",""
"7159589","6.0452","0.0003","10.044","0.0005","9.6566","0.0004","90","","90.901","0.002","90","","586.26","0.05","173","2","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C24 H36 N4 O4 -","2","1","","Lv, Xiao-Xiong; Liu, Ning; Chen, Fei; Zhang, Hao; Du, Zhi-Hong; Wang, Pei; Yuan, Meng; Da, Chao Shan","Highly asymmetric aldol reaction of isatins and ketones catalyzed by chiral bifunctional primary-amine organocatalyst on water.","Organic & biomolecular chemistry","2023","21","43","8695","8701","10.1039/d3ob01227a","","","1.54178","CuKα","","0.0386","0.0369","","","0.0915","0.0936","","","","","","1.057","","","","has coordinates","288873","2024-01-06","09:28:59",""
"7159590","7.2587","0.0002","11.3133","0.0003","15.3314","0.0004","90","","90","","90","","1259.01","0.06","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl N O3 -","- C14 H14 Cl N O3 -","- C56 H56 Cl4 N4 O12 -","4","1","","Lv, Xiao-Xiong; Liu, Ning; Chen, Fei; Zhang, Hao; Du, Zhi-Hong; Wang, Pei; Yuan, Meng; Da, Chao Shan","Highly asymmetric aldol reaction of isatins and ketones catalyzed by chiral bifunctional primary-amine organocatalyst on water.","Organic & biomolecular chemistry","2023","21","43","8695","8701","10.1039/d3ob01227a","","","1.54178","CuKα","","0.0307","0.0298","","","0.0761","0.0769","","","","","","1.086","","","","has coordinates","288873","2024-01-06","09:29:11",""
"7159591","13.6163","0.0017","9.1345","0.0007","17.6","0.005","90","","108.01","0.02","90","","2081.8","0.7","291.5","0.4","291.5","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F3 N O2 S -","- C23 H20 F3 N O2 S -","- C92 H80 F12 N4 O8 S4 -","4","1","","Wu, Hao-Zeng; Teng, Zhong-Shan; Ke, Yu-Xin; Zou, Yu; Gao, Ping; Li, Yue; Zhou, Cheng-He; Zang, Zhong-Lin","Electrochemical trifluoroalkylation/annulation for the synthesis of CF<sub>3</sub>-functionalized tetrahydroquinolines and dihydroquinolinones.","Organic & biomolecular chemistry","2023","21","42","8579","8583","10.1039/d3ob00987d","","x-ray","1.54184","CuKα","","0.1919","0.1724","","","0.4238","0.4494","","","","","","1.635","","","","has coordinates","287409","2023-11-06","08:20:42",""
"7159592","9.7989","0.0014","15.076","0.002","15.426","0.002","89.51","0.005","83.259","0.004","86.852","0.004","2259.7","0.5","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 F12 O2 S4 -","- C46 H36 F12 O2 S4 -","- C92 H72 F24 O4 S8 -","2","1","","Koga, Akihiro; Matsuda, Maki; Tanaka, Rin; Endo, Minami; Yamada, Yasunori; Hanamoto, Takeshi","Highly regio- and stereocontrolled preparation of α-(trifluoromethyl)-β-(phenylthio) enamines by the hydroamination of <i>in situ</i>-synthesized 1-(trifluoromethyl)-2-(phenylthio)ethyne.","Organic & biomolecular chemistry","2023","21","42","8528","8534","10.1039/d3ob01473h","","","0.71075","MoKα","","0.0564","0.048","","","0.1298","0.137","","","","","","1.072","","","","has coordinates","287408","2023-11-06","08:20:21",""
"7159593","16.4271","0.0003","9.6289","0.0002","12.6774","0.0002","90","","96.421","0.002","90","","1992.67","0.06","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 N3 O2 -","- C22 H33 N3 O2 -","- C88 H132 N12 O8 -","4","1","","Doi, Tomoya; Umedera, Kohei; Miura, Kazuki; Morita, Taiki; Nakamura, Hiroyuki","Synthesis of the diazatricycloundecane scaffold <i>via</i> gold(I)-catalysed Conia-ene-type 5-<i>exo-dig</i> cyclization and stepwise substituent assembly for the construction of an sp<sup>3</sup>-rich compound library.","Organic & biomolecular chemistry","2023","21","43","8716","8726","10.1039/d3ob01534c","","x-ray","1.54184","CuKα","","0.0562","0.0497","","","0.1175","0.1213","","","","","","1.069","","","","has coordinates","288871","2024-01-06","09:28:12",""
"7159594","10.5598","0.0005","10.2814","0.0004","15.2307","0.0006","90","","108.978","0.001","90","","1563.71","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.0443","0.037","","","0.1003","0.1084","","","","","","1.087","","","","has coordinates","288870","2024-01-06","09:26:46",""
"7159595","8.0568","0.0009","10.5478","0.0011","23.068","0.003","90","","90","","90","","1960.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17.6 H12 Br0.8 N1.6 O4 -","- C17.6 H12 Br0.8 N1.6 O4 -","- C88 H60 Br4 N8 O20 -","5","1.25","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.0824","0.0604","","","0.1451","0.1592","","","","","","1.044","","","","has coordinates","288870","2024-01-06","09:26:58",""
"7159596","7.11","0.002","7.857","0.003","11.773","0.004","82.026","0.013","79.905","0.013","85.894","0.013","640.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C32 H26 N2 O6 -","2","1","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.1764","0.0652","","","0.1617","0.2081","","","","","","1.026","","","","has coordinates","288870","2024-01-06","09:27:10",""
"7159597","5.315","0.002","14.209","0.003","22.732","0.005","90.03","0.03","91.78","0.03","90","0.03","1715.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H56 Br4 N4 O12 -","- C84 H56 Br4 N4 O12 -","- C84 H56 Br4 N4 O12 -","1","0.25","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.0579","0.0386","","","0.0752","0.0816","","","","","","1.022","","","","has coordinates","288870","2024-01-06","09:27:25",""
"7159598","6.384","0.004","11.473","0.005","11.661","0.006","75.635","0.012","88.166","0.016","74.104","0.013","795.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C42 H30 N2 O6 -","2","1","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.0681","0.0509","","","0.1452","0.1628","","","","","","1.076","","","","has coordinates","288870","2024-01-06","09:27:39",""
"7159599","10.047","0.0008","4.9832","0.0004","11.8477","0.001","90","","104.242","0.002","90","","574.94","0.08","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C24 H24 N8 O4 -","2","1","","Arandhara, Pallav Jyoti; Behera, Bipin Kumar; Biswas, Subhamoy; Saikia, Anil K.","Synthesis of 1,2,3-triazole-fused N-heterocycles from <i>N</i>-alkynyl hydroxyisoindolinones and sodium azide <i>via</i> the Huisgen reaction.","Organic & biomolecular chemistry","2023","21","43","8772","8781","10.1039/d3ob01498c","","","0.71073","MoKα","","0.0405","0.0357","","","0.102","0.1103","","","","","","0.715","","","","has coordinates","288872","2024-01-06","09:28:43",""
"7159600","7.8488","0.0002","9.8954","0.0003","12.1031","0.0004","68.423","0.003","74.665","0.003","77.346","0.003","835.2","0.05","99.9","0.6","99.9","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N4 O -","- C21 H16 N4 O -","- C42 H32 N8 O2 -","2","1","","Das, Eshani; Feliciano, Mark Aldren M.; Yamanushkin, Pavel; Lin, Xinsong; Gold, Brian","Oxa-azabenzobenzocyclooctynes (O-ABCs): heterobiarylcyclooctynes bearing an endocyclic heteroatom.","Organic & biomolecular chemistry","2023","21","44","8857","8862","10.1039/d3ob01559a","","x-ray","1.54184","CuKα","","0.0395","0.0368","","","0.0961","0.098","","","","","","1.067","","","","has coordinates","288867","2024-01-06","09:24:49",""
"7159601","9.1169","0.0001","12.313","0.0001","14.8526","0.0001","90","","94.19","0.001","90","","1662.84","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N4 O -","- C21 H16 N4 O -","- C84 H64 N16 O4 -","4","1","","Das, Eshani; Feliciano, Mark Aldren M.; Yamanushkin, Pavel; Lin, Xinsong; Gold, Brian","Oxa-azabenzobenzocyclooctynes (O-ABCs): heterobiarylcyclooctynes bearing an endocyclic heteroatom.","Organic & biomolecular chemistry","2023","21","44","8857","8862","10.1039/d3ob01559a","","x-ray","1.54184","CuKα","","0.0358","0.0345","","","0.0881","0.0891","","","","","","1.061","","","","has coordinates","288867","2024-01-06","09:25:00",""
"7159602","10.93403","0.0001","21.4604","0.0002","7.91748","0.00008","90","","105.128","0.0009","90","","1793.45","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl N4 -","- C22 H17 Cl N4 -","- C88 H68 Cl4 N16 -","4","1","","Das, Eshani; Feliciano, Mark Aldren M.; Yamanushkin, Pavel; Lin, Xinsong; Gold, Brian","Oxa-azabenzobenzocyclooctynes (O-ABCs): heterobiarylcyclooctynes bearing an endocyclic heteroatom.","Organic & biomolecular chemistry","2023","21","44","8857","8862","10.1039/d3ob01559a","","x-ray","1.54184","CuKα","","0.0486","0.047","","","0.1328","0.1348","","","","","","1.084","","","","has coordinates","288867","2024-01-06","09:25:04",""
"7159603","6.45921","0.00012","15.75","0.0003","21.1734","0.0004","90","","90","","90","","2154.02","0.07","113","1","113","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N6 O2 -","- C26 H26 N6 O2 -","- C104 H104 N24 O8 -","4","1","","Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan","Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.","Organic & biomolecular chemistry","2023","21","43","8708","8715","10.1039/d3ob01596c","","x-ray","1.54184","CuKα","","0.0395","0.0365","","","0.0914","0.0926","","","","","","1.078","","","","has coordinates","288868","2024-01-06","09:25:39",""
"7159604","12.4988","0.0003","7.09306","0.00015","13.9973","0.0003","90","","102.543","0.002","90","","1211.31","0.05","120","1","120","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H15 Cl N3 O1.5 -","- C12 H15 Cl N3 O1.5 -","- C48 H60 Cl4 N12 O6 -","4","1","","Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan","Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.","Organic & biomolecular chemistry","2023","21","43","8708","8715","10.1039/d3ob01596c","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0734","0.0739","","","","","","1.073","","","","has coordinates","288868","2024-01-06","09:25:47",""
"7159605","16.2851","0.0013","5.2346","0.0004","18.9492","0.0016","90","","112.304","0.01","90","","1494.5","0.2","120","1","120","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H20 N4 O3 -","- C15 H20 N4 O3 -","- C60 H80 N16 O12 -","4","1","","Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan","Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.","Organic & biomolecular chemistry","2023","21","43","8708","8715","10.1039/d3ob01596c","","x-ray","1.54184","CuKα","","0.0636","0.0514","","","0.1298","0.139","","","","","","1.043","","","","has coordinates","288868","2024-01-06","09:25:50",""
"7159606","10.8649","0.0007","8.9005","0.0005","11.386","0.0007","90","","91.427","0.004","90","","1100.72","0.12","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 S2 -","- C10 H11 N O2 S2 -","- C40 H44 N4 O8 S8 -","4","1","","Tiwari, Shubham; Chandrashekharappa, Sandeep; Gururaja, Guddeangadi N.","Nucleophilic sulfur controlled efficient ketothioamide synthesis from tribromomethyl carbinols.","Organic & biomolecular chemistry","2023","21","42","8563","8572","10.1039/d3ob01416a","","","0.71073","MoKα","","0.0616","0.0419","","","0.1012","0.1162","","","","","","1.062","","","","has coordinates","287413","2023-11-06","08:21:28",""
"7159607","11.7255","0.0002","19.0167","0.0004","8.3652","0.00018","90","","105.134","0.002","90","","1800.58","0.06","295.77","0.1","295.77","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C88 H60 N12 O8 -","4","1","","Qiu, Yi-Feng; Cao, Jian-He; Wang, Shutao; Wang, Qiang; Li, Ming; Wang, Jun-Jiao; Quan, Zheng-Jun; Wang, Xi-Cun","Synthesis of 3(2<i>H</i>)-furanone derivatives: <i>p</i>-TsOH/halotrimethylsilane promoted cycloketonization of <i>γ</i>-hydroxyl ynones.","Organic & biomolecular chemistry","2023","21","43","8744","8748","10.1039/d3ob01500a","","x-ray","1.54184","CuKα","","0.0529","0.0488","","","0.13","0.1331","","","","","","1.066","","","","has coordinates","288869","2024-01-06","09:26:15",""
"7159608","11.4368","0.0003","6.67839","0.00014","22.2255","0.0006","90","","91.647","0.002","90","","1696.87","0.07","303.93","0.1","303.93","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","1","","Qiu, Yi-Feng; Cao, Jian-He; Wang, Shutao; Wang, Qiang; Li, Ming; Wang, Jun-Jiao; Quan, Zheng-Jun; Wang, Xi-Cun","Synthesis of 3(2<i>H</i>)-furanone derivatives: <i>p</i>-TsOH/halotrimethylsilane promoted cycloketonization of <i>γ</i>-hydroxyl ynones.","Organic & biomolecular chemistry","2023","21","43","8744","8748","10.1039/d3ob01500a","","x-ray","1.54184","CuKα","","0.0497","0.0422","","","0.1139","0.1196","","","","","","1.067","","","","has coordinates","288869","2024-01-06","09:26:24",""
"7159609","7.415","0.004","10.967","0.005","15.805","0.007","90","","99.819","0.017","90","","1266.4","1.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C60 H92 O8 -","2","1","","He, Long; Zhang, Wenting; Zhang, Xiaocheng; Wu, Xiaohui; Han, Yimeng; Yan, Jiahang; Xie, Weiqing","Gram-scale synthesis of alstoscholarinoid B <i>via</i> a bio-inspired strategy.","Organic & biomolecular chemistry","2023","21","47","9346","9355","10.1039/d3ob01625k","","","0.71073","","","0.0958","0.0514","","","0.1024","0.1174","","","","","","0.997","","","","has coordinates","288889","2024-01-06","09:39:53",""
"7159610","9.2344","0.0005","16.0149","0.0009","17.8661","0.0009","90","","90","","90","","2642.2","0.2","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O6 -","- C30 H50 O6 -","- C120 H200 O24 -","4","1","","He, Long; Zhang, Wenting; Zhang, Xiaocheng; Wu, Xiaohui; Han, Yimeng; Yan, Jiahang; Xie, Weiqing","Gram-scale synthesis of alstoscholarinoid B <i>via</i> a bio-inspired strategy.","Organic & biomolecular chemistry","2023","21","47","9346","9355","10.1039/d3ob01625k","","","1.34139","GaKα","","0.0582","0.0456","","","0.1101","0.1162","","","","","","1.062","","","","has coordinates","288889","2024-01-06","09:40:02",""
"7159611","12.7887","0.001","13.3649","0.001","53.155","0.004","90","","90","","90","","9085.2","1.2","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C360 H576 O60 -","12","3","","He, Long; Zhang, Wenting; Zhang, Xiaocheng; Wu, Xiaohui; Han, Yimeng; Yan, Jiahang; Xie, Weiqing","Gram-scale synthesis of alstoscholarinoid B <i>via</i> a bio-inspired strategy.","Organic & biomolecular chemistry","2023","21","47","9346","9355","10.1039/d3ob01625k","","","1.34139","GaKα","","0.0765","0.0657","","","0.1791","0.1865","","","","","","1.038","","","","has coordinates","288889","2024-01-06","09:40:11",""
"7159612","5.5295","0.0013","21.27","0.005","12.923","0.003","90","","98.235","0.008","90","","1504.2","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F6 N2 O5 S2 -","- C10 H8 F6 N2 O5 S2 -","- C40 H32 F24 N8 O20 S8 -","4","1","","Chetankumar, Eti; Bharamawadeyar, Swetha; Srinivasulu, Chinthaginjala; Sureshbabu, Vommina V.","AITF (4-acetamidophenyl triflimide) mediated synthesis of amides, peptides and esters.","Organic & biomolecular chemistry","2023","21","44","8875","8882","10.1039/d3ob01351k","","","0.71073","MoKα","","0.1072","0.0727","","","0.1881","0.205","","","","","","1.047","","","","has coordinates","288866","2024-01-06","09:24:11",""
"7159613","11.206","0.003","9.424","0.003","18.834","0.006","90","","106.89","0.009","90","","1903.2","1","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 F N O2 -","- C11 H8 F N O2 -","- C88 H64 F8 N8 O16 -","8","1","","Chetankumar, Eti; Bharamawadeyar, Swetha; Srinivasulu, Chinthaginjala; Sureshbabu, Vommina V.","AITF (4-acetamidophenyl triflimide) mediated synthesis of amides, peptides and esters.","Organic & biomolecular chemistry","2023","21","44","8875","8882","10.1039/d3ob01351k","","","0.71073","MoKα","","0.0644","0.0407","","","0.0864","0.0931","","","","","","0.935","","","","has coordinates","288866","2024-01-06","09:24:19",""
"7159614","8.0818","0.0007","16.4868","0.0015","32.475","0.003","90","","90","","90","","4327.1","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C208 H240 N16 O16 -","8","1","","Bhattacharjee, Prantika; Sarma, Bipul; Bora, Utpal","Molecular-iodine catalyzed selective construction of cyclopenta[<i>b</i>]indoles from indoles and acetone: a green gateway to indole-fused cycles.","Organic & biomolecular chemistry","2023","21","46","9275","9285","10.1039/d3ob01561k","","","0.71073","MoKα","","0.0523","0.0429","","","0.0897","0.0941","","","","","","1.063","","","","has coordinates","288875","2024-01-06","09:30:06",""
"7159615","8.7371","0.0004","13.1143","0.0005","8.7598","0.0004","90","","107.946","0.003","90","","954.87","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 F2 N O4 -","- C23 H27 F2 N O4 -","- C46 H54 F4 N2 O8 -","2","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0802","0.0565","","","0.117","0.1279","","","","","","1.027","","","","has coordinates,has disorder","288901","2024-01-06","09:46:31",""
"7159616","40.487","0.003","7.3959","0.0004","7.5817","0.0005","90","","95.636","0.007","90","","2259.3","0.3","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H33 F2 N O5 -","- C25 H33 F2 N O5 -","- C100 H132 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0956","0.0729","","","0.1559","0.1674","","","","","","1.073","","","","has coordinates,has disorder","288901","2024-01-06","09:46:44",""
"7159617","7.7726","0.0004","11.5067","0.0006","22.6755","0.001","90","","90","","90","","2028.03","0.17","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F2 N2 O4 -","- C23 H26 F2 N2 O4 -","- C92 H104 F8 N8 O16 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0851","0.0673","","","0.1487","0.1573","","","","","","1.074","","","","has coordinates,has disorder","288901","2024-01-06","09:46:48",""
"7159618","7.7954","0.0002","12.3806","0.0002","23.4227","0.0005","90","","90","","90","","2260.57","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 F2 N O5 -","- C25 H33 F2 N O5 -","- C100 H132 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0346","0.0333","","","0.0884","0.0894","","","","","","1.061","","","","has coordinates","288901","2024-01-06","09:47:02",""
"7159619","9.3792","0.0002","12.5351","0.0002","20.43","0.0003","90","","90","","90","","2401.94","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 F2 N O5 -","- C27 H39 F2 N O5 -","- C108 H156 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0436","0.0391","","","0.0976","0.1007","","","","","","1.064","","","","has coordinates,has disorder","288901","2024-01-06","09:47:11",""
"7159620","9.1217","0.0003","11.2737","0.0003","19.5547","0.0005","90","","90","","90","","2010.91","0.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F3 N O4 -","- C23 H24 F3 N O4 -","- C92 H96 F12 N4 O16 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.04","0.0321","","","0.0712","0.0742","","","","","","1.047","","","","has coordinates","288901","2024-01-06","09:47:20",""
"7159621","9.5587","0.0009","10.1828","0.0008","24.801","0.002","90","","90","","90","","2414","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 F2 N O6 -","- C26 H39 F2 N O6 -","- C104 H156 F8 N4 O24 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.1132","0.0982","","","0.2223","0.2272","","","","","","1.142","","","","has coordinates,has disorder","288901","2024-01-06","09:47:33",""
"7159622","12.2544","0.0003","24.9923","0.0007","7.2291","0.0002","90","","90","","90","","2214.02","0.1","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H29 F2 N O4 -","- C23 H29 F2 N O4 -","- C92 H116 F8 N4 O16 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.039","0.0373","","","0.0953","0.0967","","","","","","1.028","","","","has coordinates,has disorder","288901","2024-01-06","09:47:42",""
"7159623","9.4825","0.0003","12.4436","0.0004","19.8848","0.0005","90","","90","","90","","2346.34","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 F2 N O5 -","- C26 H37 F2 N O5 -","- C104 H148 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0484","0.0382","","","0.0827","0.0888","","","","","","1.02","","","","has coordinates","288901","2024-01-06","09:47:53",""
"7159624","7.888","0.005","12.342","0.008","23.321","0.015","90","","90","","90","","2270","3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 F2 N O5 -","- C25 H35 F2 N O5 -","- C100 H140 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0511","0.0412","","","0.0964","0.1019","","","","","","1.017","","","","has coordinates","288901","2024-01-06","09:47:57",""
"7159625","32.264","0.003","6.0091","0.0005","19.0987","0.0017","90","","110.389","0.001","90","","3470.8","0.5","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C152 H144 N16 O24 S8 -","8","1","","Wang, Zhaoxue; Tian, Ge; Shi, Yuying; Liu, Wanxing; Xu, Xiangdong; Li, Xiaojing; Wu, Lingang; Xie, Lei","Lewis base-catalyzed cascade [4 + 2]-annulation reaction of <i>N</i>-alkoxy acrylamides and acyl isothiocyanates: facile access to 2-imino-1,3-thiazinone derivatives.","Organic & biomolecular chemistry","2023","21","46","9200","9209","10.1039/d3ob01440a","","","0.71073","MoKα","","0.0407","0.0337","","","0.0831","0.0876","","","","","","1.032","","","","has coordinates","288874","2024-01-06","09:29:55",""
"7159626","14.7489","0.0008","15.2963","0.0009","16.4862","0.0009","85.29","0.002","82.032","0.002","87.045","0.002","3668","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H82 Cl8 N6 O6 -","- C76 H82 Cl8 N6 O6 -","- C152 H164 Cl16 N12 O12 -","2","1","","Puigcerver, Julio; Alajarin, Mateo; Martinez-Cuezva, Alberto; Berna, Jose","Modulating the shuttling motion of [2]rotaxanes built of <i>p</i>-xylylenediamine units through permethylation at the benzylic positions of the ring.","Organic & biomolecular chemistry","2023","21","45","9070","9075","10.1039/d3ob01611k","","","1.54178","CuKα","","0.0544","0.0471","","","0.1156","0.1211","","","","","","1.046","","","","has coordinates,has disorder","288899","2024-01-06","09:45:36",""
"7159627","6.14568","0.0001","12.1476","0.0002","16.5252","0.0003","90","","90.6799","0.0016","90","","1233.61","0.04","100","2","99.97","0.18","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","2","","Fresia, Marvin; Dierks, Alexandra; Jones, Peter G.; Lindel, Thomas","Synthesis of the indeno[1,2-<i>b</i>]indole core of janthitrem B.","Organic & biomolecular chemistry","2023","21","45","9065","9069","10.1039/d3ob01566a","","x-ray","0.71073","MoKα","","0.0422","0.0381","","","0.1032","0.1062","","","","","","1.082","","","","has coordinates,has disorder","288900","2024-01-06","09:45:54",""
"7159628","12.3458","0.00014","27.6089","0.0003","18.0509","0.0002","90","","105.937","0.0012","90","","5916.23","0.12","100","2","100.03","0.12","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C23 H27 N O2 S -","- C23 H27 N O2 S -","- C276 H324 N12 O24 S12 -","12","3","","Fresia, Marvin; Dierks, Alexandra; Jones, Peter G.; Lindel, Thomas","Synthesis of the indeno[1,2-<i>b</i>]indole core of janthitrem B.","Organic & biomolecular chemistry","2023","21","45","9065","9069","10.1039/d3ob01566a","","x-ray","1.54184","CuKα","","0.0305","0.0297","","","0.0784","0.0789","","","","","","1.04","","","","has coordinates","288900","2024-01-06","09:45:57",""
"7159629","11.028","0.005","24.273","0.011","8.467","0.004","90","","123.455","0.013","90","","1891","1.5","297","2","297.26","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Roy, Pritam; Anjum, S. Rehana; Sanwal, Shyam D.; Ramachary, Dhevalapally B.","Direct organocatalytic transfer hydrogenation and C-H oxidation: high-yielding synthesis of 3-hydroxy-3-alkyloxindoles.","Organic & biomolecular chemistry","2023","21","41","8335","8343","10.1039/d3ob01264f","","x-ray","0.71073","MoKα","","0.2097","0.0778","","","0.1194","0.1492","","","","","","1.004","","","","has coordinates","287279","2023-11-05","12:47:20",""
"7159630","9.8186","0.0003","10.1013","0.0003","12.0509","0.0003","104.546","0.001","100.921","0.001","104.439","0.001","1079.09","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 N2 O P S -","- C25 H21 N2 O P S -","- C50 H42 N4 O2 P2 S2 -","2","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0317","0.0298","","","0.0771","0.0786","","","","","","1.021","","","","has coordinates","287280","2023-11-05","12:49:03",""
"7159631","9.243","0.0011","10.507","0.0012","19.92","0.002","90","","102.649","0.002","90","","1887.6","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N2 O P Pd S -","- C19 H16 Cl N2 O P Pd S -","- C76 H64 Cl4 N8 O4 P4 Pd4 S4 -","4","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0384","0.0294","","","0.0608","0.0649","","","","","","1.051","","","","has coordinates","287280","2023-11-05","12:49:07",""
"7159632","9.9279","0.0007","12.9563","0.0009","13.4185","0.001","103.396","0.004","105.449","0.004","112.525","0.004","1424.7","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H20 Cl4 N3 O P Pd S -","- C27 H20 Cl4 N3 O P Pd S -","- C54 H40 Cl8 N6 O2 P2 Pd2 S2 -","2","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0807","0.0634","","","0.1827","0.1976","","","","","","1.071","","","","has coordinates","287280","2023-11-05","12:49:16",""
"7159633","9.5575","0.0004","11.4798","0.0005","13.1669","0.0005","88.162","0.001","70.75","0.001","88.35","0.001","1362.92","0.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C26 H21 Cl4 N2 O P Pd S -","- C26 H21 Cl4 N2 O P Pd S -","- C52 H42 Cl8 N4 O2 P2 Pd2 S2 -","2","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.023","0.0203","","","0.0485","0.0499","","","","","","1.02","","","","has coordinates,has disorder","287280","2023-11-05","12:49:19",""
"7159634","9.4217","0.0003","15.3527","0.0005","19.3509","0.0005","90","","95.303","0.001","90","","2787.1","0.15","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl4 F N2 O P Pd S -","- C26 H20 Cl4 F N2 O P Pd S -","- C104 H80 Cl16 F4 N8 O4 P4 Pd4 S4 -","4","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0274","0.0246","","","0.0575","0.0588","","","","","","1.066","","","","has coordinates","287280","2023-11-05","12:49:19",""
"7159635","11.9627","0.0003","19.9021","0.0006","15.1273","0.0004","90","","136.653","0.001","90","","2472.15","0.13","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N2 O2 P S -","- C26 H23 N2 O2 P S -","- C104 H92 N8 O8 P4 S4 -","4","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.0432","0.0368","","","0.1001","0.1041","","","","","","1.043","","","","has coordinates","287280","2023-11-05","12:49:19",""
"7159636","14.0537","0.0011","11.5635","0.001","19.5357","0.0017","90","","110.681","0.004","90","","2970.2","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl N2 O3 P Pd S -","- C30 H32 Cl N2 O3 P Pd S -","- C120 H128 Cl4 N8 O12 P4 Pd4 S4 -","4","1","","Konovalov, Aleksandr V.; Churusova, Svetlana G.; Aleksanyan, Diana V.; Rybalkina, Ekaterina Yu; Aksenova, Svetlana A.; Peregudov, Alexander S.; Klemenkova, Zinaida S.; Kozlov, Vladimir A.","(Aminoalkyl)diphenylphosphine sulfides: synthesis and application as building blocks in the design of multidentate ligands for cytotoxic Pd(II) complexes.","Organic & biomolecular chemistry","2023","21","41","8379","8392","10.1039/d3ob01309j","","","0.71073","MoKα","","0.1077","0.1059","","","0.2604","0.2612","","","","","","1.371","","","","has coordinates,has disorder","287280","2023-11-05","12:49:19",""
"7159637","7.6935","0.0002","9.733","0.0002","33.1956","0.0006","90","","90","","90","","2485.71","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C124 H96 O16 -","4","1","","Liu, Li-Xia; Huang, Wen-Jun; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed stereoselective construction of chiral allenes bearing nonadjacent axial and two central chirality.","Organic & biomolecular chemistry","2023","21","42","8516","8520","10.1039/d3ob01315d","","","1.54178","CuKα","","0.0729","0.0613","","","0.1705","0.1899","","","","","","1.027","","","","has coordinates","287281","2023-11-05","12:51:13",""
"7159638","12.9083","0.0011","8.1492","0.0007","20.8706","0.0018","90","","90","","90","","2195.4","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N O4 S -","- C11 H11 N O4 S -","- C88 H88 N8 O32 S8 -","8","1","","Sun, Li; Li, Jiyu; Wu, Yafei; Li, Ying; Chen, Junqi; Xia, Xiaoye; Yuan, Chunhao; Guo, Hongchao; Mao, Biming","Palladium-catalyzed [4 + 2] cycloaddition of 2-methylidenetrimethylene carbonate or methylene cyclic carbamate with sulfamate-derived cyclic imines.","Organic & biomolecular chemistry","2023","21","40","8107","8111","10.1039/d3ob01361h","","","0.71073","MoKα","","0.088","0.0592","","","0.1499","0.1648","","","","","","1.048","","","","has coordinates","287282","2023-11-05","12:52:45",""
"7159639","10.3512","0.0009","11.2333","0.001","22.0866","0.0018","90","","90.88","0.002","90","","2567.9","0.4","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cl N3 O5 -","- C29 H26 Cl N3 O5 -","- C116 H104 Cl4 N12 O20 -","4","1","","Xue, Feixue; Yang, Chang-Jiang; Tang, Tong; He, Zhengjie","Sequential annulation and isomerisation reaction of 3-acylmethylidene oxindoles with Huisgen zwitterions and synthesis of 5-(3-oxindolyl)oxazoles.","Organic & biomolecular chemistry","2023","21","40","8176","8181","10.1039/d3ob01199b","","","0.71073","MoKα","","0.0349","0.0299","","","0.0789","0.0811","","","","","","1.067","","","","has coordinates","287283","2023-11-05","12:53:08",""
"7159640","11.4154","0.0014","8.0858","0.001","11.9564","0.0014","90","","99.308","0.002","90","","1089.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H29 N3 O4 -","- C24 H29 N3 O4 -","- C48 H58 N6 O8 -","2","1","","Zhan, Guanqun; Zhang, Fuxin; Yang, Kailing; Yang, Tao; Zhou, Ruixi; Chen, Wenwen; Zhang, Jingwei; Zhang, Xinxin; Guo, Zengjun","Alscholarines A and B, two rearranged monoterpene indole alkaloids from <i>Alstonia scholaris</i>.","Organic & biomolecular chemistry","2023","21","40","8190","8196","10.1039/d3ob01424j","","x-ray","1.34138","Synchrotron","GaKα","0.0401","0.04","","","0.106","0.1061","","","","","","1.05","","","","has coordinates","287284","2023-11-05","12:53:34",""
"7159641","10.3124","0.0004","6.3748","0.0003","12.1798","0.0006","90","","100.745","0.005","90","","786.65","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C30 H38 N2 O8 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0419","0.0334","","","0.0731","0.0777","","","","","","1.037","","","","has coordinates","288879","2024-01-06","09:32:15",""
"7159642","6.2757","0.0004","10.0567","0.0008","18.9671","0.0016","90","","90","","90","","1197.07","0.16","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H19 N O2 S -","- C9 H19 N O2 S -","- C36 H76 N4 O8 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.1131","0.0485","","","0.1051","0.1298","","","","","","1.002","","","","has coordinates,has disorder","288879","2024-01-06","09:32:27",""
"7159643","10.0224","0.0006","6.6552","0.0003","14.9401","0.0009","90","","107.562","0.006","90","","950.07","0.1","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H13 N O2 S -","- C8 H13 N O2 S -","- C32 H52 N4 O8 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.051","0.0416","","","0.1072","0.1154","","","","","","1.043","","","","has coordinates","288879","2024-01-06","09:32:32",""
"7159644","9.9519","0.0005","5.9259","0.0003","12.0663","0.0006","90","","90.859","0.004","90","","711.52","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C28 H42 N2 O4 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0418","0.0364","","","0.0889","0.0933","","","","","","1.052","","","","has coordinates","288879","2024-01-06","09:32:46",""
"7159645","19.872","0.003","6.6196","0.0007","16.26","0.002","90","","108.918","0.016","90","","2023.4","0.5","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H15 N O2 S -","- C9 H15 N O2 S -","- C72 H120 N8 O16 S8 -","8","2","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.1241","0.0752","","","0.1625","0.2078","","","","","","1.026","","","","has coordinates","288879","2024-01-06","09:32:58",""
"7159646","10.004","0.0003","6.04477","0.00015","14.4466","0.0004","90","","105.076","0.003","90","","843.54","0.04","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H23 N O5 S -","- C14 H23 N O5 S -","- C28 H46 N2 O10 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0421","0.035","","","0.0908","0.0963","","","","","","1.02","","","","has coordinates,has disorder","288879","2024-01-06","09:33:08",""
"7159647","6.5356","0.0002","9.826","0.0003","20.5497","0.0006","90","","90","","90","","1319.68","0.07","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O4 S -","- C10 H17 N O4 S -","- C40 H68 N4 O16 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0663","0.0482","","","0.1226","0.1328","","","","","","1.019","","","","has coordinates","288879","2024-01-06","09:33:12",""
"7159648","5.9251","0.0004","11.4025","0.0008","18.0255","0.0014","90","","90","","90","","1217.82","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N O2 S -","- C10 H21 N O2 S -","- C40 H84 N4 O8 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.1338","0.054","","","0.1202","0.1385","","","","","","0.832","","","","has coordinates","288879","2024-01-06","09:33:20",""
"7159649","5.6555","0.0003","8.2434","0.0003","14.8956","0.0007","90","","100.631","0.005","90","","682.52","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 N O2 S -","- C14 H17 N O2 S -","- C28 H34 N2 O4 S2 -","2","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0565","0.039","","","0.0798","0.0888","","","","","","1.056","","","","has coordinates","288879","2024-01-06","09:33:29",""
"7159650","14.7795","0.0002","8.01466","0.00011","15.01","0.0003","90","","107.478","0.0018","90","","1695.89","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 N O2 S -","- C10 H17 N O2 S -","- C60 H102 N6 O12 S6 -","6","3","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0273","0.025","","","0.0628","0.0641","","","","","","1.06","","","","has coordinates","288879","2024-01-06","09:33:33",""
"7159651","10.988","0.002","11.648","0.002","12.588","0.003","114.144","0.006","108.931","0.007","92.315","0.007","1362.4","0.5","250","2","250","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 N O5 S -","- C33 H23 N O5 S -","- C66 H46 N2 O10 S2 -","2","1","","Dahiya, Pooja; Yadav, Anoop; Peddinti, Rama Krishna","Spirocyclization and Michael addition of 3-benzylidene succinimides: route to spirocyclopentapyrrolidine-tetraones and benzylidene <i>N</i>-arylpyrrolidine-diones.","Organic & biomolecular chemistry","2023","21","46","9192","9199","10.1039/d3ob01629c","","","0.71073","MoKα","","0.0669","0.0597","","","0.1687","0.177","","","","","","1.074","","","","has coordinates","288877","2024-01-06","09:31:13",""
"7159652","12.8","0.14","12.93","0.15","18.3","0.2","101.19","0.14","94.84","0.15","107.4","0.2","2802","5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H50 Br2 N6 O8 -","- C32 H24 Br N3 O4 -","- C64 H48 Br2 N6 O8 -","2","1","","Dahiya, Pooja; Yadav, Anoop; Peddinti, Rama Krishna","Spirocyclization and Michael addition of 3-benzylidene succinimides: route to spirocyclopentapyrrolidine-tetraones and benzylidene <i>N</i>-arylpyrrolidine-diones.","Organic & biomolecular chemistry","2023","21","46","9192","9199","10.1039/d3ob01629c","","","0.71073","MoKα","","0.2491","0.0795","","","0.1751","0.2825","","","","","","1.0067","","","","has coordinates","288877","2024-01-06","09:31:23",""
"7159653","46.814","0.006","5.8604","0.0008","12.4797","0.0016","90","","105.085","0.007","90","","3305.8","0.8","273.15","","273.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C68 H80 N4 O32 -","- C68 H80 N4 O32 -","- C136 H160 N8 O64 -","2","0.5","","Shankar, Bhawani; Singh, Tejveer; Kumar, Banty; Arora, Aditi; Kumar, Sumit; Singh, Brajendra K.","Solvent-free synthesis and <i>in-silico</i> molecular docking study of (<i>E</i>)-3-(β-<i>C</i>-glycosylmethylidene)-<i>N</i>-aryl/alkyl succinimides.","Organic & biomolecular chemistry","2023","21","47","9398","9409","10.1039/d3ob01252b","","","0.71073","MoKα","","0.0545","0.0407","","","0.0897","0.099","","","","","","1.057","","","","has coordinates","288884","2024-01-06","09:35:39",""
"7159654","8.6495","0.0004","10.1461","0.0005","10.4409","0.0005","72.9361","0.0019","86.3302","0.0018","65.6886","0.0017","796.57","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N2 O1.5 -","- C19 H23 N2 O1.5 -","- C38 H46 N4 O3 -","2","2","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0401","0.0393","","","0.1019","0.1031","","","","","","1.021","","","","has coordinates","288888","2024-01-06","09:38:58",""
"7159655","4.8265","0.0007","11.8034","0.0018","16.146","0.002","74.98","0.012","85.102","0.012","79.447","0.012","872.7","0.2","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H40 N8 O12 -","- C32 H40 N8 O12 -","- C32 H40 N8 O12 -","1","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.1726","0.1206","","","0.2821","0.3346","","","","","","1.376","","","","has coordinates","288888","2024-01-06","09:39:12",""
"7159656","8.6926","0.0004","10.2171","0.0005","10.4436","0.0005","73.2229","0.0017","86.5859","0.0018","65.2493","0.0015","804.46","0.07","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H46 N4 O3 -","- C38 H46 N4 O3 -","- C38 H46 N4 O3 -","1","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","0.71073","MoKα","","0.0649","0.0466","","","0.092","0.1051","","","","","","1.077","","","","has coordinates","288888","2024-01-06","09:39:27",""
"7159657","7.2485","0.0002","10.0179","0.0003","22.3054","0.0007","90","","90","","90","","1619.7","0.08","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C76 H84 Cl4 N8 O4 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","0.71073","MoKα","","0.0519","0.042","","","0.089","0.0975","","","","","","1.122","","","","has coordinates","288888","2024-01-06","09:39:33",""
"7159658","21.16","0.008","5.022","0.002","21.185","0.008","90","","119.93","0.02","90","","1951","1.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 Cl N2 O3 -","- C12 H13 Cl N2 O3 -","- C72 H78 Cl6 N12 O18 -","6","3","","Arsenov, Mikhail A.; Stoletova, Nadezhda V.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.; Loginov, Dmitry A.; Larionov, Vladimir A.","A synthetic route to artificial chiral α-amino acids featuring a 3,4-dihydroisoquinolone core through a Rh(III)-catalyzed functionalization of allyl groups in chiral Ni(II) complexes.","Organic & biomolecular chemistry","2023","21","46","9143","9149","10.1039/d3ob01513k","","","0.71073","MoKα","","0.2453","0.148","","","0.2933","0.3466","","","","","","1.039","","","","has coordinates","288878","2024-01-06","09:31:42",""
"7159659","11.837","0.0018","22.263","0.004","14.667","0.002","90","","91.31","0.004","90","","3864.1","1.1","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H33 Br N4 Ni O4 -","- C37 H33 Br N4 Ni O4 -","- C148 H132 Br4 N16 Ni4 O16 -","4","2","","Arsenov, Mikhail A.; Stoletova, Nadezhda V.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.; Loginov, Dmitry A.; Larionov, Vladimir A.","A synthetic route to artificial chiral α-amino acids featuring a 3,4-dihydroisoquinolone core through a Rh(III)-catalyzed functionalization of allyl groups in chiral Ni(II) complexes.","Organic & biomolecular chemistry","2023","21","46","9143","9149","10.1039/d3ob01513k","","","0.71073","MoKα","","0.2411","0.0703","","","0.1422","0.1916","","","","","","0.854","","","","has coordinates","288878","2024-01-06","09:31:51",""
"7159660","11.28","0.003","9.997","0.003","11.637","0.004","90","","91.08","0.02","90","","1312","0.7","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Martelli, Lorena S. R.; da Silva, Otavio A. M.; Zukerman-Schpector, Julio; Corrêa, Arlene G","One-pot synthesis of γ-lactams from ketoaziridines.","Organic & biomolecular chemistry","2023","21","46","9128","9132","10.1039/d3ob01568h","","","0.71073","MoKα","","0.1339","0.0495","","","0.0838","0.1104","","","","","","0.703","","","","has coordinates","288882","2024-01-06","09:34:54",""
"7159661","9.065","0.0002","25.6508","0.0007","12.7514","0.0003","90","","97.158","0.002","90","","2941.9","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H27 I N2 O2 -","- C33 H27 I N2 O2 -","- C132 H108 I4 N8 O8 -","4","2","","Uchikura, Tatsuhiro; Takahashi, Kazuki; Oishi, Tatsushi; Akiyama, Takahiko","Visible-light-driven enantioselective intermolecular [2 + 2] photocyclization utilizing bathochromic excitation mediated by a chiral phosphoric acid.","Organic & biomolecular chemistry","2023","21","46","9138","9142","10.1039/d3ob01425h","","x-ray","1.54184","CuKα","","0.1336","0.1288","","","0.3507","0.3535","","","","","","1.053","","","","has coordinates","288876","2024-01-06","09:30:22",""
"7159662","11.4857","0.0015","9.7788","0.0014","9.6329","0.0011","90","","101.874","0.012","90","","1058.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Br F2 O3 -","- C11 H7 Br F2 O3 -","- C44 H28 Br4 F8 O12 -","4","1","","Wu, Long-Hui; Liu, Xia; Liu, Zhao-Wen; Chen, Zhi-Xi; Fu, Xin-Lei; Yang, Kai","Metal-free synthesis of difluoro/trifluoromethyl carbinol-containing chromones <i>via</i> tandem cyclization of <i>o</i>-hydroxyaryl enaminones.","Organic & biomolecular chemistry","2023","21","46","9236","9241","10.1039/d3ob01582c","","x-ray","1.54184","CuKα","","0.0867","0.0679","","","0.1727","0.2021","","","","","","1.017","","","","has coordinates","288881","2024-01-06","09:34:35",""
"7159663","13.7131","0.0003","15.4192","0.0003","18.7176","0.0003","83.5207","0.0015","73.4507","0.0016","69.2324","0.0018","3546.99","0.13","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H180 N14 O10 S4 -","- C136 H180 N14 O10 S4 -","- C136 H180 N14 O10 S4 -","1","0.5","","Takashima, Rikito; Aoki, Daisuke; Takahashi, Akira; Otsuka, Hideyuki","A thermally driven rotaxane-catenane interconversion with a dynamic bis(hindered amino) disulfide.","Organic & biomolecular chemistry","2024","22","5","927","931","10.1039/d3ob01693e","","x-ray","1.54184","CuKα","","0.0916","0.0727","","","0.2382","0.2579","","","","","","1.079","","","","has coordinates","289612","2024-02-04","12:27:11",""
"7159664","4.5378","0.0003","10.6153","0.0007","13.1018","0.0009","90","","91.716","0.003","90","","630.83","0.07","164","2","164","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-hydroxy-4-methylbenzo[e][1,2]oxaphosphinine 2-oxide","","- C14 H10 Cl O3 P -","- C14 H10 Cl O3 P -","- C28 H20 Cl2 O6 P2 -","2","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0281","0.0278","","","0.0711","0.0712","","","","","","1.138","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159665","6.4079","0.0003","6.8535","0.0003","22.6667","0.0011","90","","90","","90","","995.44","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-3,3-dimethyl-3H-benzo[d][1,2]oxaphosphole 2-oxide","","- C9 H13 O4 P -","- C9 H13 O4 P -","- C36 H52 O16 P4 -","4","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0293","0.0285","","","0.0717","0.072","","","","","","1.066","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159666","10.4785","0.0005","12.0901","0.0006","12.1355","0.0006","71.222","0.002","65.046","0.002","64.73","0.002","1241.5","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(1-(2-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl)-4-(4-methoxyphenyl)benzo[e][1,2]oxaphosphinine 2-oxide","","- C30 H27 O5 P -","- C30 H27 O5 P -","- C60 H54 O10 P2 -","2","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0718","0.0465","","","0.1118","0.1206","","","","","","1.038","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159667","11.552","0.006","18.511","0.004","11.652","0.003","90","","107.119","0.016","90","","2381.3","1.5","135","2","135","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1-(2-hydroxyphenyl)-1-(p-tolyl)ethyl)-4-(p-tolyl)benzo[e][1,2]oxaphosphinine 2-oxide","","- C30 H27 O3 P -","- C30 H27 O3 P -","- C120 H108 O12 P4 -","4","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.1151","0.0574","","","0.1386","0.1483","","","","","","1.077","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159668","11.0159","0.0007","4.4255","0.0003","25.0968","0.0016","90","","92.518","0.003","90","","1222.31","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(p-tolyl)benzo[e][1,2]oxaphosphinine 2-oxide","","- C15 H13 O2 P -","- C15 H13 O2 P -","- C60 H52 O8 P4 -","4","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0472","0.0433","","","0.1144","0.1162","","","","","","1.145","","","","has coordinates","290251","2024-03-04","20:39:27",""
"7159669","11.4101","0.0005","18.7328","0.0007","11.606","0.0004","90","","108.346","0.002","90","","2354.62","0.16","162","2","162","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-chlorophenyl)-2-(1-(4-chlorophenyl)-1-(2-hydroxyphenyl)ethyl)benzo[e][1,2]oxaphosphinine 2-oxide","","- C28 H21 Cl2 O3 P -","- C28 H21 Cl2 O3 P -","- C112 H84 Cl8 O12 P4 -","4","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.1251","0.1086","","","0.2217","0.2281","","","","","","1.135","","","","has coordinates","290251","2024-03-04","20:39:27",""
"7159670","13.0387","0.0013","18.89","0.002","14.4657","0.0015","90","","106.702","0.003","90","","3412.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 N3 O5 -","- C36 H29 N3 O5 -","- C144 H116 N12 O20 -","4","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1448","0.0673","","","0.1659","0.2039","","","","","","1.021","","","","has coordinates","288887","2024-01-06","09:37:14",""
"7159671","11.4127","0.0017","11.889","0.002","14.951","0.002","67.152","0.005","72.453","0.004","70.704","0.005","1729.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl N3 O5 -","- C36 H28 Cl N3 O5 -","- C72 H56 Cl2 N6 O10 -","2","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1614","0.0656","","","0.1348","0.1679","","","","","","1.009","","","","has coordinates","288887","2024-01-06","09:37:24",""
"7159672","19.3769","0.001","9.5886","0.0005","18.282","0.001","90","","113.898","0.0016","90","","3105.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N3 O5 -","- C36 H31 N3 O5 -","- C144 H124 N12 O20 -","4","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1141","0.0551","","","0.1126","0.1347","","","","","","1.037","","","","has coordinates,has disorder","288887","2024-01-06","09:37:29",""
"7159673","13.5696","0.0013","9.6679","0.001","24.307","0.003","90","","92.204","0.003","90","","3186.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 N3 O5 -","- C38 H33 N3 O5 -","- C152 H132 N12 O20 -","4","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1346","0.0683","","","0.1578","0.1872","","","","","","1.025","","","","has coordinates,has disorder","288887","2024-01-06","09:37:42",""
"7159674","8.803","0.002","11.433","0.003","18.19","0.005","106.892","0.008","93.952","0.008","94.154","0.008","1739.4","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 N3 O5 -","- C35 H29 N3 O5 -","- C70 H58 N6 O10 -","2","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.1504","0.0732","","","0.1966","0.238","","","","","","1.018","","","","has coordinates","288887","2024-01-06","09:37:54",""
"7159675","9.0882","0.0005","15.9008","0.0008","10.1768","0.0005","90","","96.1407","0.0017","90","","1462.21","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H29 N3 O5 -","- C36 H29 N3 O5 -","- C72 H58 N6 O10 -","2","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.0651","0.04","","","0.0789","0.0879","","","","","","1.025","","","","has coordinates","288887","2024-01-06","09:38:08",""
"7159676","23.664","0.003","10.3466","0.0011","22.561","0.003","90","","116.638","0.003","90","","4937.6","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 F N2 O6 -","- C29 H21 F N2 O6 -","- C232 H168 F8 N16 O48 -","8","1","","Zhu, Ling-Yun; Sun, Jing; Liu, Dan; Yan, Chao-Guo","Construction of diverse spirooxindoles <i>via</i> a domino reaction of arylamines, but-2-ynedioates and 3-hydroxy-3-(indol-3-yl)indolin-2-ones.","Organic & biomolecular chemistry","2023","21","47","9392","9397","10.1039/d3ob01560b","","","0.71073","MoKα","","0.2219","0.0687","","","0.0984","0.134","","","","","","1.006","","","","has coordinates","288887","2024-01-06","09:38:23",""
"7159677","8.46","0.007","11.802","0.009","17.491","0.014","79.66","0.01","83.815","0.011","89.445","0.011","1708","2","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H16 O4 -","- C21 H16 O4 -","- C84 H64 O16 -","4","2","","He, Xinwei; Wang, Demao; Liu, Yanan; Wu, Mengdi; Kong, Yangzilin; Tang, Qiang; Wang, Yiping; Fan, Chenli; Shang, Yongjia","Synthesis of arene-functionalized fused heterocyclic scaffolds <i>via</i> a regioselective cascade 1,4-conjugate addition/5-<i>exo-dig</i> annulation strategy.","Organic & biomolecular chemistry","2023","21","46","9159","9172","10.1039/d3ob01572f","","x-ray","0.71073","MoKα","","0.1211","0.0545","","","0.118","0.1415","","","","","","0.995","","","","has coordinates","288880","2024-01-06","09:33:56",""
"7159678","6.9547","0.0006","19.975","0.002","12.2707","0.0014","90","","90.477","0.004","90","","1704.6","0.3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","He, Xinwei; Wang, Demao; Liu, Yanan; Wu, Mengdi; Kong, Yangzilin; Tang, Qiang; Wang, Yiping; Fan, Chenli; Shang, Yongjia","Synthesis of arene-functionalized fused heterocyclic scaffolds <i>via</i> a regioselective cascade 1,4-conjugate addition/5-<i>exo-dig</i> annulation strategy.","Organic & biomolecular chemistry","2023","21","46","9159","9172","10.1039/d3ob01572f","","x-ray","0.71073","MoKα","","0.1343","0.0549","","","0.1119","0.143","","","","","","1.022","","","","has coordinates","288880","2024-01-06","09:34:07",""
"7159679","23.118","0.012","23.118","0.012","14.243","0.009","90","","90","","90","","7612","7","300","","300","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C336 H272 N16 O48 -","16","1","","He, Xinwei; Wang, Demao; Liu, Yanan; Wu, Mengdi; Kong, Yangzilin; Tang, Qiang; Wang, Yiping; Fan, Chenli; Shang, Yongjia","Synthesis of arene-functionalized fused heterocyclic scaffolds <i>via</i> a regioselective cascade 1,4-conjugate addition/5-<i>exo-dig</i> annulation strategy.","Organic & biomolecular chemistry","2023","21","46","9159","9172","10.1039/d3ob01572f","","x-ray","0.71073","MoKα","","0.2022","0.0862","","","0.1958","0.2671","","","","","","1.014","","","","has coordinates,has disorder","288880","2024-01-06","09:34:17",""
"7159680","6.9302","0.0009","10.5748","0.0014","19.067","0.003","90","","90","","90","","1397.3","0.3","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Zhou, Changsheng; Huang, Ming; Yao, Yufeng; Chen, Chunyu; Yi, Xin; Yang, Ke-Fang; Lai, Guo-Qiao; Xuan, Wenjing; Zhang, Pinglu","Transition-metal-free and additive-free intermolecular hydroarylation of alkenes with indoles in hexafluoroisopropanol.","Organic & biomolecular chemistry","2023","21","48","9534","9541","10.1039/d3ob01570j","","","0.71073","MoKα","","0.0649","0.0434","","","0.0987","0.1102","","","","","","1.024","","","","has coordinates","288891","2024-01-06","09:41:20",""
"7159681","7.426","0.0014","10.475","0.002","18.684","0.004","90","","90","","90","","1453.4","0.5","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F2 N O -","- C17 H15 F2 N O -","- C68 H60 F8 N4 O4 -","4","1","","Zhou, Changsheng; Huang, Ming; Yao, Yufeng; Chen, Chunyu; Yi, Xin; Yang, Ke-Fang; Lai, Guo-Qiao; Xuan, Wenjing; Zhang, Pinglu","Transition-metal-free and additive-free intermolecular hydroarylation of alkenes with indoles in hexafluoroisopropanol.","Organic & biomolecular chemistry","2023","21","48","9534","9541","10.1039/d3ob01570j","","","0.71073","MoKα","","0.147","0.0542","","","0.1126","0.1554","","","","","","1.0461","","","","has coordinates","288891","2024-01-06","09:41:34",""
"7159682","7.4846","0.0002","6.6085","0.0002","27.89","0.0008","90","","96.294","0.002","90","","1371.18","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","","Mukhopadhyay, Subhamoy; Khaitan, Bhavya; Gandhi, Shikha","Synthesis of tricyclic oxazinoindolones <i>via</i> Pd-catalyzed intramolecular addition of carboxylic acids to alkynes.","Organic & biomolecular chemistry","2023","21","47","9326","9329","10.1039/d3ob01672b","","","1.54184","CuKα","","0.0698","0.0648","","","0.1493","0.1518","","","","","","1.1492","","","","has coordinates","288885","2024-01-06","09:36:02",""
"7159683","12.2396","0.0003","7.38829","0.00013","27.218","0.0005","90","","92.5426","0.0019","90","","2458.89","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 O5 S -","- C29 H24 O5 S -","- C116 H96 O20 S4 -","4","1","","Huang, Lei; Wang, Yan; Liu, Xin; Tian, Shi-Kai","Convenient synthesis of thiolated 2,7-disubstituted tropones <i>via</i> double C-N bond cleavage of tropinone derivatives.","Organic & biomolecular chemistry","2023","21","47","9321","9325","10.1039/d3ob01835k","","x-ray","1.54184","CuKα","","0.0554","0.0436","","","0.1144","0.125","","","","","","1.043","","","","has coordinates","288886","2024-01-06","09:36:19",""
"7159684","15.2016","0.0002","16.526","0.0002","11.22516","0.00019","90","","103.23","0.0016","90","","2745.15","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F3 N O4 S -","- C25 H26 F3 N O4 S -","- C100 H104 F12 N4 O16 S4 -","4","1","","Huang, Lei; Wang, Yan; Liu, Xin; Tian, Shi-Kai","Convenient synthesis of thiolated 2,7-disubstituted tropones <i>via</i> double C-N bond cleavage of tropinone derivatives.","Organic & biomolecular chemistry","2023","21","47","9321","9325","10.1039/d3ob01835k","","x-ray","1.54184","CuKα","","0.0568","0.0503","","","0.1484","0.1555","","","","","","1.081","","","","has coordinates","288886","2024-01-06","09:36:25",""
"7159685","17.9648","0.001","14.7598","0.0007","13.8606","0.0008","90","","100.983","0.004","90","","3607.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H4 Br N2 S2 -","- C69 H4 Br N S2 -","- C276 H16 Br4 N4 S8 -","4","1","","Ma, Wen-Bin; Wang, Long-Ge; Chen, Shou-Rui; Zhang, Xiang; Xuan, Jun; Li, Fei","Synthesis of spiro[indolenine]-methanofullerenes <i>via</i> Deoxofluor promoted deoxygenative cyclopropanation of 1,2-(3-indole)-fullerenols.","Organic & biomolecular chemistry","2023","21","47","9459","9462","10.1039/d3ob01697h","","","1.54186","CuKα","","0.1087","0.0752","","","0.197","0.2269","","","","","","1.044","","","","has coordinates","288883","2024-01-06","09:35:19",""
"7159686","11.9232","0.0003","10.4301","0.0004","22.0572","0.0008","90","","100.919","0.001","90","","2693.38","0.16","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 N2 O3 -","- C33 H32 N2 O3 -","- C132 H128 N8 O12 -","4","1","","Luo, Wenjun; Zheng, Xinghua; Zhang, Fanglian; Luo, Qiuya; Deng, Wen-Ting; Long, Lipeng; Yu, Daohong; Wang, Zhong-Xia; Chen, Zhengwang","Synthesis of functionalized tetrahydrodibenzo[<i>b</i>,<i>g</i>][1,8]naphthyridin-1(2<i>H</i>)-ones through base-promoted annulation of quinoline-derived dipolarophiles and cyclic enaminones.","Organic & biomolecular chemistry","2023","21","48","9524","9529","10.1039/d3ob01547e","","","0.71073","MoKα","","0.1233","0.0875","","","0.1551","0.1717","","","","","","1.173","","","","has coordinates,has disorder","288893","2024-01-06","09:42:25",""
"7159687","11.682","0.0002","16.385","0.0003","15.2184","0.0003","90","","103.063","0.002","90","","2837.57","0.09","99.99","0.14","99.99","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","H2NAib4-L-AlaNHtBu","","- C23 H46 N6 O6 -","- C23 H46 N6 O6 -","- C92 H184 N24 O24 -","4","2","","Tilly, David P.; McColl, Catherine; Hu, Mingda; Vitórica-Yrezábal, Iñigo J; Webb, Simon J.","Enantioselective conjugate addition to nitroolefins catalysed by helical peptides with a single remote stereogenic centre.","Organic & biomolecular chemistry","2023","21","48","9562","9571","10.1039/d3ob01594g","","x-ray","1.54184","CuKα","","0.0485","0.0384","","","0.0912","0.0972","","","","","","1.06","","","","has coordinates","288896","2024-01-06","09:43:41",""
"7159688","11.6688","0.0004","7.6572","0.0002","13.4891","0.0004","90","","101.345","0.002","90","","1181.71","0.06","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O6 -","- C27 H28 N2 O6 -","- C54 H56 N4 O12 -","2","1","","Denhez, Clément; Lameiras, Pedro; Berber, Hatice","Atropisomerism about aryl-C(sp<sup>3</sup>) bonds: chemically driven rotational pathway in cannabidiol derivatives.","Organic & biomolecular chemistry","2023","21","48","9572","9582","10.1039/d3ob01617j","","","1.54178","CuKα","","0.0403","0.0347","","","0.0783","0.0822","","","","","","1.021","","","","has coordinates","288895","2024-01-06","09:43:22",""
"7159689","8.3294","0.0019","9.907","0.002","16.337","0.004","75.76","0.003","78.824","0.003","69.309","0.003","1213.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","Mali, Ghanshyam; Kumar Yadav, Vinay; Priya, Himani; Shukla, Manjari; Pandey, Peeyush; Kumar, Akhilesh; Paranjothy, Manikandan; Bhattacharyya, Sudipta; Erande, Rohan D.","The rapid construction and biological evaluation of densely substituted pyrrolo[1,2-<i>a</i>]indoles <i>via</i> a BF<sub>3</sub>·OEt<sub>2</sub>-assisted cascade approach.","Organic & biomolecular chemistry","2023","21","48","9659","9668","10.1039/d3ob01457f","","","0.71073","MoKα","","0.0743","0.0486","","","0.1193","0.1345","","","","","","1.032","","","","has coordinates","288897","2024-01-06","09:44:07",""
"7159690","8.3075","0.0003","10.5823","0.0003","19.6489","0.0007","98.16","0.001","91.301","0.001","111.168","0.001","1589.39","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O4 -","- C36 H46 N2 O4 -","- C72 H92 N4 O8 -","2","1","","Mali, Ghanshyam; Kumar Yadav, Vinay; Priya, Himani; Shukla, Manjari; Pandey, Peeyush; Kumar, Akhilesh; Paranjothy, Manikandan; Bhattacharyya, Sudipta; Erande, Rohan D.","The rapid construction and biological evaluation of densely substituted pyrrolo[1,2-<i>a</i>]indoles <i>via</i> a BF<sub>3</sub>·OEt<sub>2</sub>-assisted cascade approach.","Organic & biomolecular chemistry","2023","21","48","9659","9668","10.1039/d3ob01457f","","","0.71073","MoKα","","0.0745","0.0507","","","0.1179","0.1312","","","","","","1.032","","","","has coordinates","288897","2024-01-06","09:44:20",""
"7159691","25.055","0.006","3.8926","0.0009","13.226","0.003","90","","90","","90","","1289.9","0.5","297","2","297","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H9 Cl O3 -","- C17 H9 Cl O3 -","- C68 H36 Cl4 O12 -","4","1","","Faraz, Simra; Ali, Ahmad; Taleb Khan, Abu","FeCl<sub>3</sub>-catalyzed regioselective ring-opening of aryl oxirane with 4-hydroxycoumarin for the synthesis of furo[3,2-<i>c</i>]coumarins.","Organic & biomolecular chemistry","2023","22","1","95","105","10.1039/d3ob01721d","","","0.71073","MoKα","","0.0842","0.0487","","","0.0744","0.0832","","","","","","1.142","","","","has coordinates","289608","2024-02-04","12:26:35",""
"7159692","13.9745","0.0006","20.9846","0.0008","7.8209","0.0004","90","","119.645","0.001","90","","1993.27","0.15","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H21 F N2 O2 -","- C25 H21 F N2 O2 -","- C100 H84 F4 N8 O8 -","4","1","","Takallou, Ahmad; Al-Siyabi, Munir; Al-Shidhani, Sulaiman; Lotfi Nosood, Yazdanbakhsh; Habibi, Azizollah; Almaani, Alhajaj; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Preparation of pyridopyrazines through tandem Pd-catalyzed C-N/C-C coupling reactions of Ugi adducts.","Organic & biomolecular chemistry","2023","21","48","9530","9533","10.1039/d3ob01768k","","x-ray","0.71073","MoKα","","0.0462","0.035","","","0.0788","0.0877","","","","","","1.068","","","","has coordinates","288890","2024-01-06","09:40:43",""
"7159693","9.0733","0.0017","11.2285","0.0018","21.135","0.004","85.568","0.007","87.255","0.008","81.71","0.007","2122.9","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C112 H80 N8 O8 -","4","2","","Takallou, Ahmad; Al-Siyabi, Munir; Al-Shidhani, Sulaiman; Lotfi Nosood, Yazdanbakhsh; Habibi, Azizollah; Almaani, Alhajaj; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Preparation of pyridopyrazines through tandem Pd-catalyzed C-N/C-C coupling reactions of Ugi adducts.","Organic & biomolecular chemistry","2023","21","48","9530","9533","10.1039/d3ob01768k","","x-ray","0.71073","MoKα","","0.1088","0.0752","","","0.2278","0.2705","","","","","","1.093","","","","has coordinates","288890","2024-01-06","09:40:55",""
"7159694","10.6348","0.0003","14.9932","0.0005","15.9123","0.0004","83.694","0.002","73.596","0.002","73.516","0.002","2332.68","0.12","171","2","171","2","","","","","","","","5","P -1","-P 1","2","","1+DSDB24C8","","- C44 H55 N2 O19 S2 -","- C44 H55 N2 O19 S2 -","- C88 H110 N4 O38 S4 -","2","1","","Kotera, Naoko; Montellano, Pilar; Catalán, Aldo C.; Carrasco-Ruiz, Anayeli; Cervantes, Ruy; Tiburcio, Jorge","Correlated translational motions in pseudo-rotaxane complexes controlled by a single chemical stimulus","Organic & Biomolecular Chemistry","2024","22","6","1135","1140","10.1039/D3OB01741A","","x-ray","0.71073","MoKα","","0.1798","0.1096","","","0.2926","0.3339","","","","","","1.047","","","","has coordinates,has disorder","290261","2024-03-04","20:41:03",""
"7159695","26.509","0.006","8.6693","0.0018","19.55","0.004","90","","102.969","0.005","90","","4378.3","1.6","293","2","293","2","","","","","","","SYNTHESIS","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 F6 N5 S -","- C23 H15 F6 N5 S -","- C184 H120 F48 N40 S8 -","8","1","","Das, Sribash; Karn, Rama; Kumar, Mohit; Srimayee, Soumya; Manna, Debasis","A chloride-responsive molecular switch: driving ion transport and empowering antibacterial properties.","Organic & biomolecular chemistry","2023","22","1","114","119","10.1039/d3ob01826a","","x-ray","0.71073","MoKα","","0.1474","0.1085","","","0.1654","0.1844","","","","","","1.201","","","","has coordinates","289605","2024-02-04","12:26:08",""
"7159696","9.2259","0.0011","17.758","0.002","25.991","0.003","90","","95.635","0.004","90","","4237.6","0.9","293","2","293","2","","","","","","","SYNTHESIS","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 Cl F6 N6 S -","- C39 H45 Cl F6 N6 S -","- C156 H180 Cl4 F24 N24 S4 -","4","1","","Das, Sribash; Karn, Rama; Kumar, Mohit; Srimayee, Soumya; Manna, Debasis","A chloride-responsive molecular switch: driving ion transport and empowering antibacterial properties.","Organic & biomolecular chemistry","2023","22","1","114","119","10.1039/d3ob01826a","","x-ray","0.71073","MoKα","","0.1433","0.0879","","","0.2113","0.2645","","","","","","1.076","","","","has coordinates","289605","2024-02-04","12:26:08",""
"7159697","4.6598","0.0003","12.6674","0.0015","13.5783","0.0016","115.794","0.011","93.082","0.007","94.546","0.007","715.88","0.15","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C36 H30 N2 O8 -","2","1","","Liu, Xiaoyu; Sun, Yaru; Hong, Shuang; Ji, Xia; Gao, Wei; Yuan, Haolin; Zhang, Yue; Lei, Bin; Tang, Liangfu; Fan, Zhijin","Synthesis of fungicidal morpholines and isochromenopyridinones <i>via</i> acid-catalyzed intramolecular reactions of isoindolinones.","Organic & biomolecular chemistry","2023","22","1","120","125","10.1039/d3ob01717f","","x-ray","0.71073","MoKα","","0.1115","0.0834","","","0.218","0.2424","","","","","","1.033","","","","has coordinates","289609","2024-02-04","12:26:48",""
"7159698","6.6228","0.0005","8.4131","0.0006","18.9386","0.0013","90","","93.381","0.006","90","","1053.39","0.13","136.2","0.3","136.2","0.3","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Liu, Xiaoyu; Sun, Yaru; Hong, Shuang; Ji, Xia; Gao, Wei; Yuan, Haolin; Zhang, Yue; Lei, Bin; Tang, Liangfu; Fan, Zhijin","Synthesis of fungicidal morpholines and isochromenopyridinones <i>via</i> acid-catalyzed intramolecular reactions of isoindolinones.","Organic & biomolecular chemistry","2023","22","1","120","125","10.1039/d3ob01717f","","x-ray","0.71073","MoKα","","0.1231","0.1122","","","0.219","0.2236","","","","","","1.023","","","","has coordinates","289609","2024-02-04","12:26:48",""
"7159699","4.1549","0.0005","25.864","0.002","8.0655","0.0009","90","","101.904","0.011","90","","848.1","0.16","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Br N3 -","- C9 H6 Br N3 -","- C36 H24 Br4 N12 -","4","1","","Kobayashi, Kazuki; Kasakura, Nozomi; Kikukawa, Seiya; Matsumoto, Shota; Karasawa, Satoru; Hata, Takeshi","Facile preparation of polycyclic halogen-substituted 1,2,3-triazoles by using intramolecular Huisgen cycloaddition.","Organic & biomolecular chemistry","2023","21","48","9610","9615","10.1039/d3ob01283b","","x-ray","1.54184","CuKα","","0.1433","0.1178","","","0.2942","0.3278","","","","","","1.311","","","","has coordinates","288894","2024-01-06","09:42:44",""
"7159700","9.0182","0.0005","13.7411","0.0004","9.4416","0.0005","90","","118.495","0.007","90","","1028.27","0.11","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C52 H44 N12 O4 -","4","1","","Kobayashi, Kazuki; Kasakura, Nozomi; Kikukawa, Seiya; Matsumoto, Shota; Karasawa, Satoru; Hata, Takeshi","Facile preparation of polycyclic halogen-substituted 1,2,3-triazoles by using intramolecular Huisgen cycloaddition.","Organic & biomolecular chemistry","2023","21","48","9610","9615","10.1039/d3ob01283b","","x-ray","1.54184","CuKα","","0.0456","0.0398","","","0.1119","0.1159","","","","","","1.054","","","","has coordinates","288894","2024-01-06","09:42:52",""
"7159701","9.3536","0.0003","10.4366","0.0003","13.3657","0.0004","78.907","0.002","79.54","0.003","76.41","0.003","1231.75","0.07","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C64 H48 N16 -","4","2","","Kobayashi, Kazuki; Kasakura, Nozomi; Kikukawa, Seiya; Matsumoto, Shota; Karasawa, Satoru; Hata, Takeshi","Facile preparation of polycyclic halogen-substituted 1,2,3-triazoles by using intramolecular Huisgen cycloaddition.","Organic & biomolecular chemistry","2023","21","48","9610","9615","10.1039/d3ob01283b","","x-ray","1.54184","CuKα","","0.0699","0.0595","","","0.1376","0.1434","","","","","","1.109","","","","has coordinates","288894","2024-01-06","09:43:02",""
"7159702","7.1304","0.0002","10.9898","0.0003","20.539","0.0005","90","","90","","90","","1609.47","0.07","180","0.1","180","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Liang, Changxu; Hu, Chao; Nie, Pengpeng; Liu, Yuanfang; Liu, Jun; Du, Yuguo","Bioinspired synthesis and biological evaluation of <i>ent</i>-protulactones A and B.","Organic & biomolecular chemistry","2023","22","1","175","183","10.1039/d3ob01708g","","x-ray","0.71073","MoKα","","0.0431","0.0368","","","0.0948","0.0981","","","","","","1.045","","","","has coordinates","289606","2024-02-04","12:26:14",""
"7159703","7.4594","0.0005","11.1518","0.0007","14.7331","0.0009","94.669","0.004","101.035","0.004","99.434","0.004","1178.58","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl2 I N -","- C27 H22 Cl2 I N -","- C54 H44 Cl4 I2 N2 -","2","1","","Yunyaeva, Olga; Hean, Duane; Wolf, Michael O.","Restricted rotation and tunable fluorescence in atropisomeric naphthyl pyridine chromophores.","Organic & biomolecular chemistry","2023","21","48","9623","9629","10.1039/d3ob01819a","","x-ray","0.71073","MoKα","","0.0427","0.0369","","","0.089","0.0925","","","","","","1.06","","","","has coordinates,has disorder","288892","2024-01-06","09:41:53",""
"7159704","17.3854","0.0019","7.5604","0.0008","20.364","0.002","90","","90","","90","","2676.7","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N4 O -","- C16 H6 N4 O -","- C128 H48 N32 O8 -","8","1","","Oh, Hyunjin; Kim, Ikyon","Catalyst-free assembly of a polyfunctionalized 1,2,4-triazole-fused N-heterocycle, 6-acylated pyrrolo[1,2-<i>a</i>][1,2,4]triazolo[5,1-<i>c</i>]pyrazine.","Organic & biomolecular chemistry","2024","22","2","320","336","10.1039/d3ob01747h","","","0.71073","MoKα","","0.0984","0.0738","","","0.2067","0.2302","","","","","","1.076","","","","has coordinates","289628","2024-02-04","12:29:34",""
"7159705","5.1374","0.0002","19.8255","0.0007","12.6832","0.0004","90","","92.011","0.001","90","","1291.01","0.08","123","2","123","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 -","- C40 H26 -","- C80 H52 -","2","0.5","","Polkaehn, Jonas; Ehlers, Peter; Villinger, Alexander; Langer, Peter","Pyrene-bridged acenaphthenes: synthesis and properties of a diacenaphtho[1,2-<i>e</i>:1',2'-<i>l</i>]pyrene and its symmetrical nitrogen analogue.","Organic & biomolecular chemistry","2023","21","48","9669","9676","10.1039/d3ob01744c","","","0.71073","MoKα","","0.0654","0.0493","","","0.1215","0.137","","","","","","1.042","","","","has coordinates,has disorder","288898","2024-01-06","09:44:43",""
"7159706","17.3542","0.0007","22.6322","0.0008","8.8875","0.0004","90","","90","","90","","3490.7","0.2","299","2","299","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C1.063 H1.875 N0.125 O0.125 -","- C1.0625 H1.875 N0.125 O0.125 -","- C136 H240 N16 O16 -","128","8","","Singh, Hanuman; Chenna, Akshay; Gangwar, Upanshu; Dutta, Souvik; Kurur, Narayanan D.; Goel, Gaurav; Haridas, V.","Bispidine as a promising scaffold for designing molecular machines.","Organic & biomolecular chemistry","2023","21","45","9054","9060","10.1039/d3ob01406a","","","0.71073","MoKα","","0.0401","0.034","","","0.0852","0.0905","","","","","","1.0518","","","","has coordinates","288047","2023-12-05","19:29:19",""
"7159707","12.1123","0.0007","13.4106","0.0009","15.0272","0.0007","90.102","0.005","111.664","0.005","113.639","0.006","2045.7","0.3","153","70","153","70","","","","","","","","5","P -1","-P 1","2","","3-(2-bromophenyl)-1-cyclohexyl-4-(1H-indol-2-yl)-1H-pyrrole-2,5-dione","","- C10.67 H9.33 Br0.44 N0.89 O0.89 -","- C10.6667 H9.33333 Br0.444444 N0.888889 O0.888889 -","- C96 H84 Br4 N8 O8 -","9","4.5","","Bandehali-Naeini, Farzaneh; Tanbakouchian, Zahra; Farajinia-Lehi, Noushin; Mayer, Nicolas; Shiri, Morteza; Breugst, Martin","Two distinct protocols for the synthesis of unsymmetrical 3,4-disubstituted maleimides based on transition-metal catalysts.","Organic & biomolecular chemistry","2024","22","2","380","387","10.1039/d3ob01620j","","x-ray","0.71073","MoKα","","0.0941","0.0752","","","0.2439","0.283","","","","","","1.205","","","","has coordinates","289630","2024-02-04","12:29:46",""
"7159708","10.587","0.002","15.112","0.003","16.143","0.003","107.182","0.012","102.52","0.013","106.296","0.011","2238.3","0.8","140","","140","","","","","","","","","5","P -1","-P 1","2","","Compound 1a","","- C37 H25 F12 N7 O5 -","- C37 H25 F12 N7 O5 -","- C74 H50 F24 N14 O10 -","2","1","","Pradhan, Nyaya Prakash; Namdev, Kavthekar Rupesh; Srivastava, Aasheesh","Molecular clips with spatially proximal urea residues for efficient transmembrane co-transport of H<sup>+</sup>/Cl<sup>-</sup> ions.","Organic & biomolecular chemistry","2023","22","1","74","79","10.1039/d3ob01431b","","","0.71073","MoKα","","0.1494","0.0719","","","0.1872","0.2267","","","","","","1.014","","","","has coordinates,has disorder","289607","2024-02-04","12:26:23",""
"7159709","8.6773","0.0001","8.6773","0.0001","17.892","0.0005","90","","90","","90","","1347.19","0.04","93","","93","","","","","","","","","4","P 43","P 4cw","78","","(S)-3-[(R)-Bromo(4-methylphenyl)methyl]isobenzofuran-1(3H)-one","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C64 H52 Br4 O8 -","4","1","","Sugano, Masayuki; Inokuma, Tsubasa; Yamaoka, Yousuke; Yamada, Ken-Ichi","5-<i>exo</i>-Selective asymmetric bromolactonization of stilbenecarboxylic acids catalyzed by phenol-bearing chiral thiourea.","Organic & biomolecular chemistry","2024","22","9","1765","1769","10.1039/d3ob01895d","","x-ray","1.54184","CuKα","","0.0637","0.0635","","","0.1655","0.1657","","","","","","1.101","","","","has coordinates","290276","2024-03-04","20:43:34",""
"7159710","9.4004","0.0002","9.4572","0.0002","22.4551","0.0004","82.188","0.002","80.662","0.002","60.116","0.001","1704.38","0.06","295","2","295","","","","","","","","","6","P 1","P 1","1","","","","- C76 H88 N2 O8 P2 S2 -","- C76 H88 N2 O8 P2 S2 -","- C76 H88 N2 O8 P2 S2 -","1","1","","Gavrilov, Konstantin N.; Chuchelkin, Ilya V.; Firsin, Ilya D.; Trunina, Valeria M.; Gavrilov, Vladislav K.; Zheglov, Sergey V.; Fedorov, Denis A.; Tafeenko, Victor A.; Zamilatskov, Ilya A.; Zimarev, Vladislav S.; Goulioukina, Nataliya S.","TADDOL-based <i>P</i>,<i>S</i>-bidentate phosphoramidite ligands in palladium-catalyzed asymmetric allylic substitution.","Organic & biomolecular chemistry","2024","22","3","538","549","10.1039/d3ob01891a","","","1.54186","CuKα","","0.0551","0.0477","","","0.1187","0.1272","","","","","","1.02","","","","has coordinates","289632","2024-02-04","12:30:00",""
"7159711","29.2","0.001","29.2","0.001","10.1029","0.0004","90","","90","","120","","7460.1","0.5","295","2","295","","","","","","","","","9","P 64","P 64","172","","","","- C39 H45 B F4 N O4 P Pd S -","- C39 H45 B F4 N O4 P Pd S -","- C234 H270 B6 F24 N6 O24 P6 Pd6 S6 -","6","1","","Gavrilov, Konstantin N.; Chuchelkin, Ilya V.; Firsin, Ilya D.; Trunina, Valeria M.; Gavrilov, Vladislav K.; Zheglov, Sergey V.; Fedorov, Denis A.; Tafeenko, Victor A.; Zamilatskov, Ilya A.; Zimarev, Vladislav S.; Goulioukina, Nataliya S.","TADDOL-based <i>P</i>,<i>S</i>-bidentate phosphoramidite ligands in palladium-catalyzed asymmetric allylic substitution.","Organic & biomolecular chemistry","2024","22","3","538","549","10.1039/d3ob01891a","","","1.54186","CuKα","","0.2115","0.0544","","","0.1327","0.1613","","","","","","0.618","","","","has coordinates","289632","2024-02-04","12:30:00",""
"7159712","15.14881","0.00014","8.79337","0.00007","15.81288","0.00019","90","","112.272","0.0012","90","","1949.27","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C92 H76 N4 O12 S4 -","4","1","","Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin","Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.","Organic & biomolecular chemistry","2024","22","3","590","605","10.1039/d3ob01712e","","x-ray","1.54184","CuKα","","0.0521","0.0469","","","0.1271","0.1333","","","","","","1.056","","","","has coordinates","289636","2024-02-04","12:30:29",""
"7159713","13.2109","0.0002","7.6302","0.0001","27.8997","0.0003","90","","90","","90","","2812.34","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N2 O6 -","- C16 H10 N2 O6 -","- C128 H80 N16 O48 -","8","1","","Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin","Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.","Organic & biomolecular chemistry","2024","22","3","590","605","10.1039/d3ob01712e","","x-ray","1.54184","CuKα","","0.0521","0.0459","","","0.1236","0.14","","","","","","1.119","","","","has coordinates","289636","2024-02-04","12:30:29",""
"7159714","13.6603","0.0003","11.3987","0.0002","14.7403","0.0003","90","","106.075","0.002","90","","2205.46","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O6 S2 -","- C22 H24 N2 O6 S2 -","- C88 H96 N8 O24 S8 -","4","1","","Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin","Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.","Organic & biomolecular chemistry","2024","22","3","590","605","10.1039/d3ob01712e","","x-ray","1.54184","CuKα","","0.0471","0.0407","","","0.1012","0.1049","","","","","","1.075","","","","has coordinates","289636","2024-02-04","12:30:29",""
"7159715","10.9621","0.0001","17.2319","0.0002","17.631","0.0002","90.89","0.001","108.06","0.001","105.668","0.001","3030.75","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O6 S2 -","- C34 H32 N2 O6 S2 -","- C136 H128 N8 O24 S8 -","4","2","","Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin","Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.","Organic & biomolecular chemistry","2024","22","3","590","605","10.1039/d3ob01712e","","x-ray","1.54184","CuKα","","0.0364","0.0333","","","0.0894","0.0921","","","","","","1.02","","","","has coordinates","289636","2024-02-04","12:30:29",""
"7159716","22.29","0.002","11.2327","0.0011","22.56","0.002","90","","108.847","0.003","90","","5345.7","0.9","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 N3 O3 S -","- C29 H29 N3 O3 S -","- C232 H232 N24 O24 S8 -","8","2","","Shit, Sudip; Choudhury, Chinmayee; Saikia, Anil K.","Nitrile stabilized synthesis of pyrrolidine and piperidine derivatives <i>via</i> tandem alkynyl aza-Prins-Ritter reactions.","Organic & biomolecular chemistry","2024","22","3","568","578","10.1039/d3ob01764h","","","0.71073","MoKα","","0.1221","0.0701","","","0.1815","0.2074","","","","","","1.016","","","","has coordinates","289633","2024-02-04","12:30:07",""
"7159717","13.5552","0.0004","7.1623","0.0003","23.1013","0.0008","90","","90","","90","","2242.82","0.14","298.98","","298.98","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C88 H128 O24 -","8","1","","Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.","Two-step, high-yielding total synthesis of antibiotic pyrones.","Organic & biomolecular chemistry","2024","22","3","554","560","10.1039/d3ob01923c","","x-ray","0.71073","MoKα","","0.1525","0.0542","","","0.1149","0.2085","","","","","","1.151","","","","has coordinates","289631","2024-02-04","12:29:53",""
"7159718","5.2134","0.0006","9.7698","0.001","15.9903","0.0012","96.982","0.007","91.685","0.008","96.327","0.009","802.73","0.14","297.6","","297.6","","","","","","","","","3","P 1","P 1","1","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","2","","Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.","Two-step, high-yielding total synthesis of antibiotic pyrones.","Organic & biomolecular chemistry","2024","22","3","554","560","10.1039/d3ob01923c","","x-ray","0.71073","MoKα","","0.2517","0.0827","","","0.1546","0.2148","","","","","","0.87","","","","has coordinates","289631","2024-02-04","12:29:53",""
"7159719","9.156","0.0002","10.2227","0.0002","17.7959","0.0004","81.85","0.002","88.334","0.002","87.904","0.002","1647.27","0.06","298.3","","298.3","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H52 O6 -","- C32 H52 O6 -","- C64 H104 O12 -","2","1","","Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.","Two-step, high-yielding total synthesis of antibiotic pyrones.","Organic & biomolecular chemistry","2024","22","3","554","560","10.1039/d3ob01923c","","x-ray","0.71073","MoKα","","0.1599","0.0884","","","0.2591","0.3129","","","","","","1.051","","","","has coordinates","289631","2024-02-04","12:29:53",""
"7159720","8.6562","0.0003","7.0369","0.0002","9.8957","0.0003","90","","97.796","0.001","90","","597.2","0.03","170","2","170","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H16 O Si -","- C13 H16 O Si -","- C26 H32 O2 Si2 -","2","0.5","","Zhang, Tao; Zhang, Cheng; Lu, Xiunan; Peng, Chengxing; Zhang, Yawei; Zhu, Xiong; Zhong, Guofu; Zhang, Jian","Synthesis of silyl indenes by ruthenium-catalyzed aldehyde- and acylsilane-enabled C-H alkylation/cyclization.","Organic & biomolecular chemistry","2024","22","3","466","471","10.1039/d3ob01699d","","","0.71073","MoKα","","0.0362","0.0338","","","0.0924","0.0947","","","","","","1.069","","","","has coordinates,has disorder","289635","2024-02-04","12:30:20",""
"7159721","5.7326","0.0005","16.7916","0.0019","14.3441","0.0012","90","","92.205","0.009","90","","1379.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl2 O S -","- C14 H12 Cl2 O S -","- C56 H48 Cl8 O4 S4 -","4","1","","Kumar, Saurabh; Chand, Shiv; Singh, Krishna Nand","Electro-oxidative coupling of Bunte salts with aryldiazonium tetrafluoroborates: a benign access to unsymmetrical sulfoxides.","Organic & biomolecular chemistry","2024","22","4","850","856","10.1039/d3ob01955a","","x-ray","1.54184","CuKα","","0.1063","0.0749","","","0.1896","0.2285","","","","","","1.0169","","","","has coordinates","289624","2024-02-04","12:29:02",""
"7159722","5.1341","0.0001","8.4181","0.0002","13.3376","0.0003","90","","93.235","0.001","90","","575.52","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N3 O7 -","- C9 H15 N3 O7 -","- C18 H30 N6 O14 -","2","1","","Persaud, Kevin E.; Sahu, Rajesh R.; Neary, Michelle C.; Kapdi, Anant R.; Lakshman, Mahesh K.","Two short approaches to the COVID-19 drug β-D-<i>N</i><sup>4</sup>-hydroxycytidine and its prodrug molnupiravir.","Organic & biomolecular chemistry","2024","22","4","735","740","10.1039/d3ob02039h","","","1.54178","CuKα","","0.0288","0.0281","","","0.0745","0.0747","","","","","","1.051","","","","has coordinates","289620","2024-02-04","12:28:23",""
"7159723","8.1168","0.0014","17.929","0.003","16.686","0.003","90","","94.685","0.006","90","","2420.1","0.7","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N O4 S -","- C30 H25 N O4 S -","- C120 H100 N4 O16 S4 -","4","1","","Jain, Anshul; Kumari, Akanksha; Metre, Ramesh K.; Rana, Nirmal K.","Diastereoselective synthesis of <i>trans</i>-2,3-dihydroindoles <i>via</i> formal [4 + 1] annulation reactions of a sulfonium ylide.","Organic & biomolecular chemistry","2024","22","3","621","632","10.1039/d3ob01793a","","","0.71073","MoKα","","0.0527","0.0444","","","0.1426","0.1522","","","","","","1.188","","","","has coordinates","289634","2024-02-04","12:30:12",""
"7159724","9.1263","0.0001","10.1687","0.0002","19.2429","0.0003","90","","98.907","0.0005","90","","1764.26","0.05","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Sudarshana, K. A.; Sarma, Manas Jyoti; Radhakrishnan, Mydhili; Chakravarty, Sumana; Srihari, Pabbaraja; Mehta, Goverdhan","A protocol for directly accessing geminal C-4 diarylated pyrazol-5(4<i>H</i>)-ones <i>via</i> tandem C-H aryne insertion and their inceptive neurobiological evaluation.","Organic & biomolecular chemistry","2024","22","4","714","719","10.1039/d3ob01932b","","","0.71073","MoKα","","0.0833","0.0491","","","0.1127","0.1301","","","","","","1.053","","","","has coordinates","289625","2024-02-04","12:29:09",""
"7159725","6.2516","0.0002","12.1242","0.0004","19.5002","0.0007","90","","91.0124","0.0009","90","","1477.8","0.09","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H11 F3 N2 O -","- C16 H11 F3 N2 O -","- C64 H44 F12 N8 O4 -","4","2","","Sudarshana, K. A.; Sarma, Manas Jyoti; Radhakrishnan, Mydhili; Chakravarty, Sumana; Srihari, Pabbaraja; Mehta, Goverdhan","A protocol for directly accessing geminal C-4 diarylated pyrazol-5(4<i>H</i>)-ones <i>via</i> tandem C-H aryne insertion and their inceptive neurobiological evaluation.","Organic & biomolecular chemistry","2024","22","4","714","719","10.1039/d3ob01932b","","","0.71073","MoKα","","0.1941","0.0743","","","0.1227","0.1574","","","","","","1.044","","","","has coordinates,has disorder","289625","2024-02-04","12:29:09",""
"7159726","13.9291","0.0003","8.5789","0.0002","15.4251","0.0003","90","","108.462","0.0008","90","","1748.38","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Sudarshana, K. A.; Sarma, Manas Jyoti; Radhakrishnan, Mydhili; Chakravarty, Sumana; Srihari, Pabbaraja; Mehta, Goverdhan","A protocol for directly accessing geminal C-4 diarylated pyrazol-5(4<i>H</i>)-ones <i>via</i> tandem C-H aryne insertion and their inceptive neurobiological evaluation.","Organic & biomolecular chemistry","2024","22","4","714","719","10.1039/d3ob01932b","","","0.71073","MoKα","","0.1291","0.0598","","","0.1268","0.1561","","","","","","1.009","","","","has coordinates","289625","2024-02-04","12:29:09",""
"7159727","7.5355","0.0003","7.5626","0.0002","11.2958","0.0003","90","","103.257","0.003","90","","626.57","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C26 H36 O8 -","2","1","","Fernandes, Rodney A.; Ranjan, Ravikant S.","Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.","Organic & biomolecular chemistry","2024","22","4","811","822","10.1039/d3ob02013d","","x-ray","0.71073","MoKα","","0.0525","0.0493","","","0.1294","0.1341","","","","","","1.049","","","","has coordinates","289622","2024-02-04","12:28:43",""
"7159728","5.1299","0.0004","14.7848","0.001","9.1241","0.0006","90","","90.366","0.007","90","","692","0.08","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Fernandes, Rodney A.; Ranjan, Ravikant S.","Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.","Organic & biomolecular chemistry","2024","22","4","811","822","10.1039/d3ob02013d","","x-ray","0.71073","MoKα","","0.0482","0.0436","","","0.1038","0.1073","","","","","","1.054","","","","has coordinates","289622","2024-02-04","12:28:43",""
"7159729","8.5447","0.0004","10.2606","0.0005","12.5052","0.0005","90","","90","","90","","1096.38","0.09","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 S -","- C11 H12 O4 S -","- C44 H48 O16 S4 -","4","1","","Fernandes, Rodney A.; Ranjan, Ravikant S.","Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.","Organic & biomolecular chemistry","2024","22","4","811","822","10.1039/d3ob02013d","","x-ray","0.71073","MoKα","","0.0552","0.0405","","","0.0874","0.0998","","","","","","0.966","","","","has coordinates","289622","2024-02-04","12:28:43",""
"7159730","23.6044","0.0008","23.6044","0.0008","8.2487","0.0005","90","","90","","90","","4595.9","0.4","93.15","","93.15","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C32 H22 N2 O -","- C32 H22 N2 O -","- C256 H176 N16 O8 -","8","1","","Nakayama, Taku; Fujiki, Sayaka; Enda, Tomokatsu; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","A sequential reaction of picolinamide with benzaldehydes promoted by Pd(TFA)<sub>2</sub>: rapid access to 4,5-disubstituted 2-(pyridin-2-yl)oxazoles in <i>n</i>-octane.","Organic & biomolecular chemistry","2024","22","4","759","766","10.1039/d3ob01815f","","x-ray","0.71073","MoKα","","0.0973","0.0589","","","0.109","0.1203","","","","","","1.036","","","","has coordinates","289627","2024-02-04","12:29:28",""
"7159731","19.4774","0.0017","12.0444","0.0011","16.5411","0.0015","90","","106.097","0.003","90","","3728.3","0.6","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 F6 N6 -","- C46 H28 F6 N6 -","- C184 H112 F24 N24 -","4","1","","Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman","Substituent-controlled regioselective arylation of carbazoles using dual catalysis.","Organic & biomolecular chemistry","2024","22","4","753","758","10.1039/d3ob01827j","","","0.71073","MoKα","","0.0913","0.0564","","","0.1309","0.1589","","","","","","1.05","","","","has coordinates,has disorder","289626","2024-02-04","12:29:17",""
"7159732","12.1412","0.0011","12.799","0.0009","12.1671","0.0007","90","","115.924","0.003","90","","1700.5","0.2","149","2","149","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2.71 H2 N0.35 O0.12 -","- C2.70588 H2 N0.352941 O0.117647 -","- C92 H68 N12 O4 -","34","8.5","","Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman","Substituent-controlled regioselective arylation of carbazoles using dual catalysis.","Organic & biomolecular chemistry","2024","22","4","753","758","10.1039/d3ob01827j","","","0.71073","MoKα","","0.0527","0.0451","","","0.1127","0.1206","","","","","","1.072","","","","has coordinates","289626","2024-02-04","12:29:17",""
"7159733","12.7425","0.001","13.5862","0.0011","10.3411","0.0007","90","","97.302","0.002","90","","1775.8","0.2","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N3 O2 -","- C24 H17 N3 O2 -","- C96 H68 N12 O8 -","4","1","","Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman","Substituent-controlled regioselective arylation of carbazoles using dual catalysis.","Organic & biomolecular chemistry","2024","22","4","753","758","10.1039/d3ob01827j","","","0.71073","MoKα","","0.0548","0.0358","","","0.0786","0.0908","","","","","","1.057","","","","has coordinates","289626","2024-02-04","12:29:17",""
"7159734","7.3575","0.0005","19.315","0.0015","12.3105","0.0009","90","","97.192","0.002","90","","1735.7","0.2","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","1","","Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman","Substituent-controlled regioselective arylation of carbazoles using dual catalysis.","Organic & biomolecular chemistry","2024","22","4","753","758","10.1039/d3ob01827j","","","0.71073","MoKα","","0.049","0.0369","","","0.093","0.1008","","","","","","1.02","","","","has coordinates","289626","2024-02-04","12:29:17",""
"7159735","19.9358","0.0004","15.8356","0.0003","15.2943","0.0003","90","","90","","90","","4828.34","0.16","180","","180","","","","","","","","","5","P b c n","-P 2n 2ab","60","Benzenemethanaminium, N,N,N-trimethyl-, (TB-5-11)-difluorotriphenylsilicate(1-)","Benzyltrimethylammonium difluorotriphenylsilicate","","- C28 H31 F2 N Si -","- C28 H31 F2 N Si -","- C224 H248 F16 N8 Si8 -","8","1","","Trojan, Michal; Kučnirová, Kateřina; Bouzková, Šárka; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav","Quaternary ammonium fluorides and difluorosilicates as nucleophilic fluorination reagents.","Organic & biomolecular chemistry","2024","22","5","1047","1056","10.1039/d3ob01875j","","","1.54178","CuKα","","0.0484","0.0389","","0.1095","0.0943","0.1095","","","","","","0.9978","","","","has coordinates","289614","2024-02-04","12:27:26",""
"7159736","6.8063","0.0009","14.985","0.002","17.161","0.003","90","","90","","90","","1750.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Wen, Mengke; Zhang, Mengying; Gu, Fan; Geng, Yuehua; Liu, Xiangyang; Wu, Qingnan; Yang, Xifa","Synthesis of spiropyrans <i>via</i> Ru(II)-catalyzed coupling of 3-aryl-2<i>H</i>-benzo[<i>b</i>][1,4]oxazines with benzoquinones.","Organic & biomolecular chemistry","2024","22","5","998","1009","10.1039/d3ob01971c","","","0.71073","MoKα","","0.1655","0.0759","","","0.1604","0.2049","","","","","","1.038","","","","has coordinates","289616","2024-02-04","12:27:40",""
"7159737","9.6568","0.0006","10.209","0.0006","13.0889","0.0011","87.571","0.006","71.911","0.007","80.248","0.005","1208.81","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","","Wen, Mengke; Zhang, Mengying; Gu, Fan; Geng, Yuehua; Liu, Xiangyang; Wu, Qingnan; Yang, Xifa","Synthesis of spiropyrans <i>via</i> Ru(II)-catalyzed coupling of 3-aryl-2<i>H</i>-benzo[<i>b</i>][1,4]oxazines with benzoquinones.","Organic & biomolecular chemistry","2024","22","5","998","1009","10.1039/d3ob01971c","","x-ray","1.54184","CuKα","","0.0795","0.0587","","","0.1734","0.192","","","","","","0.992","","","","has coordinates","289616","2024-02-04","12:27:48",""
"7159738","10.2824","0.0002","9.8025","0.0002","26.573","0.0005","90","","98.437","0.002","90","","2649.39","0.09","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Br Cl3 N O Ru -","- C25 H25 Br Cl3 N O Ru -","- C100 H100 Br4 Cl12 N4 O4 Ru4 -","4","1","","Wen, Mengke; Zhang, Mengying; Gu, Fan; Geng, Yuehua; Liu, Xiangyang; Wu, Qingnan; Yang, Xifa","Synthesis of spiropyrans <i>via</i> Ru(II)-catalyzed coupling of 3-aryl-2<i>H</i>-benzo[<i>b</i>][1,4]oxazines with benzoquinones.","Organic & biomolecular chemistry","2024","22","5","998","1009","10.1039/d3ob01971c","","x-ray","1.54184","CuKα","","0.0591","0.0478","","","0.1227","0.1332","","","","","","1.057","","","","has coordinates,has disorder","289616","2024-02-04","12:27:49",""
"7159739","9.84","0.002","12.074","0.003","13.093","0.003","102.89","0.007","107.408","0.007","110.2","0.006","1297.2","0.5","302","2","302","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 F N2 O Si -","- C32 H25 F N2 O Si -","- C64 H50 F2 N4 O2 Si2 -","2","1","","Das, Krishna Kanta; Hajra, Alakananda","Silylation of 2<i>H</i>-indazoles by photoinduced hydrogen atom transfer catalysis.","Organic & biomolecular chemistry","2024","22","5","1034","1037","10.1039/d3ob01925j","","","0.71073","MoKα","","0.0765","0.0569","","","0.1785","0.2039","","","","","","1.461","","","","has coordinates","289611","2024-02-04","12:27:03",""
"7159740","4.9499","0.0003","13.8952","0.001","20.1686","0.0016","90","","90","","90","","1387.19","0.17","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 S2 -","- C13 H14 N2 O2 S2 -","- C52 H56 N8 O8 S8 -","4","1","","Wang, Peifeng; Li, Shan; Wen, Huiling; Lei, Yin; Huang, Shujuan; Wang, Zixiu; Su, Jialong; Guan, Wenxiang; Lei, Jian","Thiosuccinimide enabled S-N bond formation to access <i>N</i>-sulfenylated sulfonamide derivatives with synthetic diversity.","Organic & biomolecular chemistry","2024","22","5","990","997","10.1039/d3ob01848b","","x-ray","1.54184","CuKα","","0.1147","0.1028","","","0.2746","0.2893","","","","","","1.069","","","","has coordinates","289610","2024-02-04","12:26:58",""
"7159741","9.9278","0.0003","16.1864","0.0004","12.2047","0.0003","90","","110.377","0.001","90","","1838.51","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 F3 N O4 S -","- C19 H18 F3 N O4 S -","- C76 H72 F12 N4 O16 S4 -","4","1","","Gommenginger, Clément; Hourtoule, Maxime; Menghini, Marco; Miesch, Laurence","Metal free regio - and stereoselective semireduction of CF<sub>3</sub>-substituted <i>N</i>-allenamides.","Organic & biomolecular chemistry","2024","22","5","940","944","10.1039/d3ob01859h","","","0.71073","MoKα","","0.0414","0.0379","","","0.1034","0.107","","","","","","1.012","","","","has coordinates","289619","2024-02-04","12:28:18",""
"7159742","12.664","0.006","4.767","0.002","27.831","0.013","90","","103.124","0.011","90","","1636.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F6 N3 -","- C17 H11 F6 N3 -","- C68 H44 F24 N12 -","4","1","","Hazarika, Roktopol; Dutta, Sanghamitra; Sarmah, Samprity; Hazarika, Priyanuj Krishnann; Singh, Kuldeep; Kumar, Arvind; Sarma, Bipul; Sarma, Diganta","PCy<sub>3</sub>-assisted Ag(I)-catalyzed click reaction for regioselective synthesis of 1,4-disubstituted 1,2,3-triazoles at room temperature.","Organic & biomolecular chemistry","2024","22","4","694","698","10.1039/d3ob01738a","","","0.71073","MoKα","","0.0762","0.0458","","","0.096","0.11","","","","","","1.003","","","","has coordinates","289623","2024-02-04","12:28:56",""
"7159743","9.262","0.002","9.837","0.002","23.332","0.005","94.658","0.006","96.469","0.006","116.368","0.006","1871.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H55 Ag N O3 P2 -","- C36 H55 Ag N O3 P2 -","- C72 H110 Ag2 N2 O6 P4 -","2","1","","Hazarika, Roktopol; Dutta, Sanghamitra; Sarmah, Samprity; Hazarika, Priyanuj Krishnann; Singh, Kuldeep; Kumar, Arvind; Sarma, Bipul; Sarma, Diganta","PCy<sub>3</sub>-assisted Ag(I)-catalyzed click reaction for regioselective synthesis of 1,4-disubstituted 1,2,3-triazoles at room temperature.","Organic & biomolecular chemistry","2024","22","4","694","698","10.1039/d3ob01738a","","","0.71073","MoKα","","0.0705","0.0511","","","0.1284","0.1406","","","","","","1.067","","","","has coordinates,has disorder","289623","2024-02-04","12:28:56",""
"7159744","8.8245","0.0007","12.584","0.001","17.05","0.0014","78.499","0.002","83.899","0.002","89.971","0.002","1844.4","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Br N3 O2 -","- C23 H16 Br N3 O2 -","- C92 H64 Br4 N12 O8 -","4","2","","Gogoi, Abhijit; Mukhopadhyay, Subhamoy; Chouhan, Raju; Das, Sajal Kumar","Synthesis of benzimidazole-fused 1,4-benzoxazepines and benzosultams spiro-connected to a 2-oxindole core <i>via</i> a tandem epoxide-opening/S<sub>N</sub>Ar approach.","Organic & biomolecular chemistry","2024","22","2","353","363","10.1039/d3ob01613g","","","0.71073","MoKα","","0.054","0.0455","","","0.1079","0.1131","","","","","","1.065","","","","has coordinates","289629","2024-02-04","12:29:41",""
"7159745","11.3157","0.0015","17.7","0.003","12.6167","0.0018","90","","111.045","0.004","90","","2358.4","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 O3.97 S0.98 -","- C28 H22 N2 O3.966 S0.983 -","- C112 H88 N8 O15.864 S3.932 -","4","1","","Gogoi, Abhijit; Mukhopadhyay, Subhamoy; Chouhan, Raju; Das, Sajal Kumar","Synthesis of benzimidazole-fused 1,4-benzoxazepines and benzosultams spiro-connected to a 2-oxindole core <i>via</i> a tandem epoxide-opening/S<sub>N</sub>Ar approach.","Organic & biomolecular chemistry","2024","22","2","353","363","10.1039/d3ob01613g","","x-ray","0.71073","MoKα","","0.1113","0.0485","","","0.1047","0.127","","","","","","0.915","","","","has coordinates,has disorder","289629","2024-02-04","12:29:41",""
"7159746","26.5945","0.0008","6.1407","0.0002","13.3679","0.0004","90","","103.498","0.001","90","","2122.79","0.11","101","","101","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Br N O4 S -","- C22 H24 Br N O4 S -","- C88 H96 Br4 N4 O16 S4 -","4","1","","Li, Ping; Du, Zhongjian; Wu, Baofeng; Zhao, Xin; You, Yang'en","Highly effective and selective FeBr<sub>3</sub>-promoted deuterium bromination/cyclization of 1,<i>n</i>-enynes.","Organic & biomolecular chemistry","2024","22","5","959","964","10.1039/d3ob01778h","","x-ray","1.54178","CuKα","","0.0373","0.037","","","0.0929","0.093","","","","","","1.108","","","","has coordinates","289617","2024-02-04","12:27:58",""
"7159747","24.3597","0.0008","6.0092","0.0002","13.7493","0.0005","90","","97.85","0.002","90","","1993.79","0.12","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br2 N O2 S -","- C20 H21 Br2 N O2 S -","- C80 H84 Br8 N4 O8 S4 -","4","1","","Li, Ping; Du, Zhongjian; Wu, Baofeng; Zhao, Xin; You, Yang'en","Highly effective and selective FeBr<sub>3</sub>-promoted deuterium bromination/cyclization of 1,<i>n</i>-enynes.","Organic & biomolecular chemistry","2024","22","5","959","964","10.1039/d3ob01778h","","x-ray","1.54178","CuKα","","0.0294","0.0293","","","0.0734","0.0734","","","","","","1.221","","","","has coordinates","289617","2024-02-04","12:28:06",""
"7159748","5.5266","0.0001","12.2496","0.0003","21.7057","0.0005","90","","90","","90","","1469.45","0.06","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Qiu, Kongxi; Wu, Kaifu; Ma, Haowen; Ao, Yunlin; Zhou, Wei; Cai, Qian","A transition-metal-free azide–alkyne cycloaddition/hydroamination cascade reaction for the construction of triazole-fused piperazin-2-ones","Organic & Biomolecular Chemistry","2024","22","6","1176","1180","10.1039/D3OB01999C","","x-ray","1.54184","CuKα","","0.0341","0.0318","","","0.081","0.0828","","","","","","1.032","","","","has coordinates","290259","2024-03-04","20:40:46",""
"7159749","41.29","0.03","8.552","0.007","23.83","0.02","90","","113.027","0.016","90","","7744","11","301","2","301","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H31 Br4 N3 -","- C44 H31 Br4 N3 -","- C352 H248 Br32 N24 -","8","1","","Sharma, Akrti; Kaur, Gurpreet; Ravikanth, Mangalampalli","Synthesis of unsymmetrical 2,3,7,8-tetrabromo <i>meso</i>-5,10,11,16-tetraaryl- triphyrin(2.1.1) and its use in the synthesis of sterically crowded 2,3,5,7,8,10,11,16-octaarylated triphyrin(2.1.1)s.","Organic & biomolecular chemistry","2024","22","4","838","849","10.1039/d3ob01886e","","","0.71073","MoKα","","0.1683","0.0586","","","0.097","0.1273","","","","","","0.994","","","","has coordinates","289621","2024-02-04","12:28:36",""
"7159750","7.7704","0.0004","11.2784","0.0005","11.4173","0.0008","90","","107.296","0.007","90","","955.34","0.1","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H25 N -","- C25 H25 N -","- C50 H50 N2 -","2","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0849","0.0684","","","0.1702","0.1947","","","","","","1.042","","","","has coordinates","288699","2024-01-05","12:56:42",""
"7159751","7.7133","0.0002","11.0969","0.0003","17.3223","0.0006","90","","92.53","0.001","90","","1481.23","0.08","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","0.71073","MoKα","","0.0959","0.064","","","0.1569","0.1975","","","","","","1.061","","","","has coordinates","288699","2024-01-05","12:56:53",""
"7159752","7.8405","0.0004","10.9929","0.0006","17.4746","0.0009","90","","90","","90","","1506.13","0.14","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0757","0.0674","","","0.1791","0.1917","","","","","","1.044","","","","has coordinates","288699","2024-01-05","12:57:03",""
"7159753","10.9527","0.0002","12.7611","0.0003","17.1116","0.0004","90","","90","","90","","2391.66","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 N O4 S -","- C32 H23 N O4 S -","- C128 H92 N4 O16 S4 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0567","0.0552","","","0.1351","0.1364","","","","","","1.058","","","","has coordinates","288699","2024-01-05","12:57:15",""
"7159754","16.5325","0.0005","5.5611","0.0002","19.0631","0.0006","90","","110.6","0.004","90","","1640.58","0.1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C76 H72 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Pin-Hsien","Synthesis of 4-sulfonyl-1,7-diesters <i>via</i> K<sub>2</sub>CO<sub>3</sub>-mediated alkylative debenzoylation of α-sulfonyl <i>o</i>-hydroxyacetophenones with acrylates.","Organic & biomolecular chemistry","2024","22","6","1194","1204","10.1039/d3ob01703f","","x-ray","0.71073","MoKα","","0.0507","0.039","","","0.0973","0.1031","","","","","","1.057","","","","has coordinates","290264","2024-03-04","20:41:48",""
"7159755","6.3968","0.0005","15.9612","0.0014","4.3338","0.0004","90","","100.453","0.003","90","","435.14","0.07","100","2","100","2","","","","","","","","3","C 1 m 1","C -2y","8","","","","- C5 H5 O2 -","- C5 H5 O2 -","- C20 H20 O8 -","4","1","","Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran","Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.","Organic & biomolecular chemistry","2024","22","5","1038","1046","10.1039/d3ob01428b","","","0.71073","MoKα","","0.035","0.0306","","","0.082","0.0858","","","","","","1.101","","","","has coordinates","289613","2024-02-04","12:27:19",""
"7159756","8.6985","0.0011","9.1415","0.001","32.062","0.004","90","","94.221","0.005","90","","2542.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Br O10 -","- C28 H29 Br O10 -","- C112 H116 Br4 O40 -","4","1","","Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran","Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.","Organic & biomolecular chemistry","2024","22","5","1038","1046","10.1039/d3ob01428b","","","0.71073","MoKα","","0.0743","0.0657","","","0.1458","0.1498","","","","","","1.13","","","","has coordinates","289613","2024-02-04","12:27:20",""
"7159757","12.153","0.002","12.656","0.002","16.822","0.003","103.366","0.006","102.402","0.006","90.075","0.006","2455","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H60 O20 -","- C56 H60 O20 -","- C112 H120 O40 -","2","1","","Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran","Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.","Organic & biomolecular chemistry","2024","22","5","1038","1046","10.1039/d3ob01428b","","","0.71073","MoKα","","0.1088","0.0974","","","0.2482","0.2579","","","","","","1.061","","","","has coordinates","289613","2024-02-04","12:27:20",""
"7159758","10.229","0.002","12.381","0.003","20.06","0.004","90","","98.934","0.007","90","","2509.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2.24 H2.4 N0 O0.88 -","- C2.24 H2.4 O0.88 -","- C112 H120 O44 -","50","12.5","","Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran","Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.","Organic & biomolecular chemistry","2024","22","5","1038","1046","10.1039/d3ob01428b","","","0.71073","MoKα","","0.04","0.0361","","","0.0977","0.1011","","","","","","1.043","","","","has coordinates","289613","2024-02-04","12:27:20",""
"7159759","4.3756","0.0004","10.0848","0.0009","14.3422","0.0012","90","","98.393","0.008","90","","626.1","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","11-methylbenzo[a]phenazine","","- C17 H12 N2 -","- C17 H12 N2 -","- C34 H24 N4 -","2","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0662","0.0373","","","0.0967","0.1122","","","","","","1.01","","","","has coordinates,has disorder","290266","2024-03-04","20:42:08",""
"7159760","16.013","0.002","4.6349","0.0007","16.5622","0.0019","90","","96.23","0.013","90","","1222","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-bromobenzo[a]phenazine","","- C16 H9 Br N2 -","- C16 H9 Br N2 -","- C64 H36 Br4 N8 -","4","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0882","0.0723","","","0.1744","0.1919","","","","","","1.109","","","","has coordinates","290266","2024-03-04","20:42:09",""
"7159761","9.5508","0.0006","4.7677","0.0003","12.4996","0.0009","90","","103.508","0.007","90","","553.43","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-chloro-2-phenylquinoxaline","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C28 H18 Cl2 N4 -","2","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0427","0.0295","","","0.0539","0.0573","","","","","","1.1208","","","","has coordinates","290266","2024-03-04","20:42:09",""
"7159762","9.6512","0.0005","4.9125","0.0002","12.4349","0.0009","90","","104.633","0.006","90","","570.43","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C28 H18 Br2 N4 -","2","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0338","0.024","","","0.04","0.0419","","","","","","1.0575","","","","has coordinates","290266","2024-03-04","20:42:09",""
"7159763","7.3206","0.0004","9.0166","0.0004","16.8696","0.0008","90","","97.364","0.005","90","","1104.33","0.09","293","2","293","2","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C48 H58 N2 O4 S2 -","2","1","","Antony Haritha Mercy, A.; Padma Priya, V. R.; Hariprasad, R.; Gayathri, K.; Ravindra, S.; Chandra Nandi, Ganesh; Kataria, Ramesh","Facile synthesis of <i>N</i>-(α-furanyl) alkyl sulfoximines <i>via</i> gold catalyzed Michael addition/cyclization of enynones and sulfoximines.","Organic & biomolecular chemistry","2024","22","5","945","949","10.1039/d3ob01631e","","x-ray","0.71073","MoKα","","0.0615","0.0426","","","0.0869","0.0956","","","","","","0.961","","","","has coordinates","289618","2024-02-04","12:28:12",""
"7159764","9.6137","0.0019","18.354","0.003","18.491","0.003","61.325","0.017","89.722","0.015","89.85","0.015","2862.5","1","293","","293","","","","","","","","","5","P -1","-P 1","2","","C34H28BrN3O2","","- C34 H28 Br N3 O2 -","- C34 H28 Br N3 O2 -","- C136 H112 Br4 N12 O8 -","4","2","","Dalal, Arup; Bodak, Subhankar; Babu, Srinivasarao Arulananda","Picolinamide-assisted ortho-C–H functionalization of pyrenylglycine derivatives using aryl iodides","Organic & Biomolecular Chemistry","2024","22","6","1279","1298","10.1039/D3OB01731A","","x-ray","0.71073","MoKα","","0.1263","0.0597","","","0.1582","0.2088","","","","","","1","","","","has coordinates","290265","2024-03-04","20:41:53",""
"7159765","10.982","0.002","15.999","0.003","21.423","0.004","90","0.03","90","0.03","90","0.03","3764","1.2","300","2","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 B O4 P -","- C44 H50 B O4 P -","- C176 H200 B4 O16 P4 -","4","1","","Dai, Zhenyun; Xu, Chenyong; Tian, Rongqiang; Duan, Zheng","Towards tetrasubstituted furans through rearrangement and cyclodimerization of acetylenic ketones","Organic & Biomolecular Chemistry","2024","22","6","1172","1175","10.1039/D3OB02036C","","","0.71073","MoKα","","0.0666","0.0466","","","0.1069","0.1184","","","","","","1.0453","","","","has coordinates","290262","2024-03-04","20:41:34",""
"7159766","20.6011","0.0003","21.488","0.0004","16.3102","0.0003","90","","105.866","0.001","90","","6945.1","0.2","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H62 Cl2 Cu2 O4 P2 -","- C84 H62 Cl2 Cu2 O4 P2 -","- C336 H248 Cl8 Cu8 O16 P8 -","4","1","","Dai, Zhenyun; Xu, Chenyong; Tian, Rongqiang; Duan, Zheng","Towards tetrasubstituted furans through rearrangement and cyclodimerization of acetylenic ketones","Organic & Biomolecular Chemistry","2024","22","6","1172","1175","10.1039/D3OB02036C","","","0.71073","MoKα","","0.0482","0.0392","","","0.1331","0.1448","","","","","","1.036","","","","has coordinates","290262","2024-03-04","20:41:34",""
"7159767","7.6579","0.001","13.884","0.0019","14.998","0.002","87.216","0.003","89.61","0.004","83.982","0.003","1584","0.4","297","2","297","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H28 O4 S4 -","- C38 H28 O4 S4 -","- C76 H56 O8 S8 -","2","1","","Ali, Ahmad; Faraz, Simra; Khan, Abu Taleb","l-Proline-catalysed synthesis of 2-aryl-2H,5H-thiopyrano[2,3-b] thiochromen-5-ones from 4-hydroxydithiocoumarins and cinnamaldehyde derivatives","Organic & Biomolecular Chemistry","2024","22","7","1426","1433","10.1039/D3OB02051G","","x-ray","0.71073","MoKα","","0.0513","0.0426","","","0.1016","0.1087","","","","","","1.045","","","","has coordinates","290268","2024-03-04","20:42:33",""
"7159768","39.383","0.003","6.2918","0.0005","17.9687","0.0014","90","","107.702","0.004","90","","4241.6","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-(3-morpholino-2,2-diphenyl-2,3-dihydrobenzol[b][1,4]dioxin-6-yl)ethan-1-ol","","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C208 H216 N8 O32 -","8","1","","Neudorffer, Anne; Deschamps, Patrick; Largeron, Martine; Deguin, Brigitte","An electrochemical access to 2-amino-2,3-dihydro-1,4-benzodioxanes derived from hydroxytyrosol.","Organic & biomolecular chemistry","2024","22","5","1057","1063","10.1039/d3ob01858j","","","0.71073","MoKα","","0.2139","0.1204","","","0.254","0.2906","","","","","","1.04","","","","has coordinates,has disorder","289615","2024-02-04","12:27:32",""
"7159769","6.0428","0.0011","20.506","0.004","9.995","0.002","90","","106.928","0.006","90","","1184.9","0.4","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Arumugam, Ajithkumar; Senadi, Gopal Chandru","Visible-light photocatalyzed C–N bond activation of tertiary amines: a three-component approach to synthesize quinazolines","Organic & Biomolecular Chemistry","2024","22","6","1245","1253","10.1039/D3OB02067C","","","0.71073","MoKα","","0.0465","0.0401","","","0.0968","0.1009","","","","","","1.0588","","","","has coordinates","290260","2024-03-04","20:40:56",""
"7159770","5.7333","0.0003","15.4063","0.0008","16.4742","0.0009","90","","93.99","0.002","90","","1451.62","0.13","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C60 H60 Br4 O16 -","4","1","","Jamis-Oliva, Omar; López, Roger; Galdámez, Antonio; Gallardo-Fuentes, Sebastián; Vilches-Herrera, Marcelo","Non-covalent interactions in the diastereoselective synthesis of cis-2,3-dihydrobenzofurans: experimental and computational studies","Organic & Biomolecular Chemistry","2024","22","7","1441","1446","10.1039/D3OB02070C","","","0.71073","MoKα","","0.2107","0.0688","","","0.1209","0.1577","","","","","","1.005","","","","has coordinates","290271","2024-03-04","20:42:55",""
"7159771","20.022","0.0003","11.6268","0.0002","22.3898","0.0003","90","","107.063","0.001","90","","4982.74","0.13","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N3 O2 S3 -","- C26 H23 N3 O2 S3 -","- C208 H184 N24 O16 S24 -","8","1","","Qin, Hong; Chen, Feng; Du, Jinze; Yang, Xiaobing; Huang, Yiping; Zhu, Kai; Yue, Changhai; Fang, Zheng; Guo, Kai","Thiocyanate promoted difunctionalization and cyclization of unsaturated C–C bonds to construct 1-sulfur-2-nitrogen-functionalized alkenes and 2-thiocyanate indolines","Organic & Biomolecular Chemistry","2024","22","6","1213","1218","10.1039/D3OB01864D","","","1.34139","GaKα","","0.0386","0.0334","","","0.0809","0.0845","","","","","","1.031","","","","has coordinates","290263","2024-03-04","20:41:41",""
"7159772","13.7697","0.0004","15.4363","0.0005","14.6704","0.0005","90","","96.138","0.003","90","","3100.36","0.17","150","0.1","150","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 -","- C42 H34 -","- C168 H136 -","4","1","","Agrawal, Abhijeet R.; Shiouki, Israa; Deree, Yinon; Bogoslavsky, Benny; Gidron, Ori","Controlling helicene's pitch by molecular tethering","Organic & Biomolecular Chemistry","2024","22","7","1365","1368","10.1039/D3OB02075D","","x-ray","0.71073","MoKα","","0.0956","0.063","","","0.1677","0.184","","","","","","1.056","","","","has coordinates,has disorder","290267","2024-03-04","20:42:26",""
"7159773","11.2461","0.0003","11.4386","0.0004","15.5025","0.0005","92.762","0.003","99.839","0.003","103.088","0.003","1906","0.11","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C46.67 H40 Cl2 O2 -","- C46.6667 H40 Cl2 O2 -","- C93.3334 H80 Cl4 O4 -","2","1","","Agrawal, Abhijeet R.; Shiouki, Israa; Deree, Yinon; Bogoslavsky, Benny; Gidron, Ori","Controlling helicene's pitch by molecular tethering","Organic & Biomolecular Chemistry","2024","22","7","1365","1368","10.1039/D3OB02075D","","x-ray","0.71073","MoKα","","0.0897","0.0667","","","0.1694","0.181","","","","","","1.052","","","","has coordinates,has disorder","290267","2024-03-04","20:42:26",""
"7159774","17.9449","0.0007","9.9148","0.0004","22.899","0.0009","90","","103.799","0.004","90","","3956.6","0.3","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H44 O2.25 -","- C48.5 H44 O2.25 -","- C194 H176 O9 -","4","1","","Agrawal, Abhijeet R.; Shiouki, Israa; Deree, Yinon; Bogoslavsky, Benny; Gidron, Ori","Controlling helicene's pitch by molecular tethering","Organic & Biomolecular Chemistry","2024","22","7","1365","1368","10.1039/D3OB02075D","","x-ray","0.71073","MoKα","","0.1273","0.0791","","","0.2177","0.2474","","","","","","1.002","","","","has coordinates,has disorder","290267","2024-03-04","20:42:26",""
"7159775","12.9798","0.0005","8.3982","0.0003","18.9108","0.0008","90","","104.113","0.0019","90","","1999.19","0.14","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Br Cl N2 O2 -","- C23 H18 Br Cl N2 O2 -","- C92 H72 Br4 Cl4 N8 O8 -","4","1","","Shirisha, Thangellapally; Majhi, Subir; Balasubramanian, Sridhar; Kashinath, Dhurke","Metal-free C(sp3)–H functionalization (C–C and C–N bond formation) of 1,2,3,4-tetrahydroacridines using deep eutectic solvents as catalyst and reaction medium","Organic & Biomolecular Chemistry","2024","22","7","1434","1440","10.1039/D3OB01752D","","","0.71073","MoKα","","0.0842","0.0434","","","0.0986","0.1175","","","","","","1.012","","","","has coordinates","290269","2024-03-04","20:42:38",""
"7159776","17.2259","0.0002","19.8037","0.0002","7.8338","0.0001","90","","94.126","0.001","90","","2665.47","0.05","100","0.3","100","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N O6 -","- C27 H24 N O6 -","- C108 H96 N4 O24 -","4","1","","Komogortsev, Andrey N.; Melekhina, Valeriya G.; Lichitskii, Boris V.","Anionic photochemical rearrangement of 3-hydroxypyran-4-ones bearing oxazol-2-one fragment","Organic & Biomolecular Chemistry","2024","22","8","1686","1692","10.1039/D3OB01957H","","x-ray","1.54184","CuKα","","0.0519","0.048","","","0.1347","0.1377","","","","","","1.041","","","","has coordinates","290254","2024-03-04","20:39:51",""
"7159777","14.9897","0.0004","4.8849","0.0001","21.3648","0.0005","90","","107.901","0.003","90","","1488.66","0.07","297.69","0.1","297.69","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cl2 N3 O -","- C17 H11 Cl2 N3 O -","- C68 H44 Cl8 N12 O4 -","4","1","","Zhang, Xu; Wei, Meng-Yan; Su, Jun-Cheng; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Synthesis of 4-(trichloromethyl)pyrido[2′,1′:3,4]pyrazino[2,1-b]quinazolinones through a cyclized dearomatization and trichloromethylation cascade strategy","Organic & Biomolecular Chemistry","2024","22","7","1386","1390","10.1039/D3OB02084C","","x-ray","1.54184","CuKα","","0.0464","0.0365","","","0.0964","0.1003","","","","","","1.061","","","","has coordinates","290270","2024-03-04","20:42:48",""
"7159778","9.7289","0.0007","11.5281","0.0009","13.9318","0.001","90","","90","","90","","1562.5","0.2","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Battula, Shravani; Kothuri, Pranay; Bhumannagari, Haripriya; Nayani, Kiranmai","Decarboxylative [3 + 2] cycloaddition of propargyl cyclic carbonates with <i>C</i>,<i>O</i>-bis(nucleophile)s to access dihydrofuro[3,2-<i>c</i>]coumarins and dihydronaphtho[1,2-<i>b</i>]furans with quaternary center.","Organic & biomolecular chemistry","2024","22","8","1671","1675","10.1039/d3ob01893h","","","0.71073","MoKα","","0.0492","0.0391","","","0.1016","0.1088","","","","","","1.045","","","","has coordinates","290253","2024-03-04","20:39:45",""
"7159779","11.15","0.01","12.826","0.011","14.113","0.012","70.08","0.015","84.051","0.016","76.432","0.015","1844","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 F3 N2 O2 -","- C21 H19 F3 N2 O2 -","- C84 H76 F12 N8 O8 -","4","2","","Zhang, Zhongyi; Zhou, Yaqin; Wang, Jiehui; Zhang, Yicheng; Wang, Lei; Liu, Jie; Zhou, Chao; Wang, Min; Li, Pinhua","Radical relay cyclization/C–C bond formation of allyloxy-tethered aryl iodides with quinoxalin-2(1H)-ones via polysulfide anion photocatalysis","Organic & Biomolecular Chemistry","2024","22","8","1708","1713","10.1039/D3OB01978K","","","0.71073","MoKα","","0.1545","0.0841","","","0.1624","0.1917","","","","","","1.053","","","","has coordinates","290256","2024-03-04","20:40:08",""
"7159780","7.7589","0.0004","10.0726","0.0007","18.9645","0.001","90","","95.207","0.005","90","","1476","0.15","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N O3 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Chang, Meng-Yang; Lee, Yan-Ling","One-pot synthesis of benzofused 8-oxabicyclo[3.3.1]nonanes <i>via</i> GaCl<sub>3</sub>-mediated cyclocondensation of <i>o</i>-allylbenzaldehydes and 1,3-dicarbonyl synthons.","Organic & biomolecular chemistry","2024","22","8","1646","1653","10.1039/d4ob00016a","","x-ray","0.71073","MoKα","","0.0845","0.0718","","","0.1837","0.1897","","","","","","1.078","","","","has coordinates","290257","2024-03-04","20:40:17",""
"7159781","8.386","0.0002","8.637","0.0002","12.3414","0.0003","103.452","0.002","95.93","0.002","103.91","0.002","831.78","0.04","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Chang, Meng-Yang; Lee, Yan-Ling","One-pot synthesis of benzofused 8-oxabicyclo[3.3.1]nonanes <i>via</i> GaCl<sub>3</sub>-mediated cyclocondensation of <i>o</i>-allylbenzaldehydes and 1,3-dicarbonyl synthons.","Organic & biomolecular chemistry","2024","22","8","1646","1653","10.1039/d4ob00016a","","x-ray","0.71073","MoKα","","0.05","0.0403","","","0.1022","0.1077","","","","","","1.106","","","","has coordinates","290257","2024-03-04","20:40:17",""
"7159782","36.9306","0.0009","36.9306","0.0009","6.4911","0.0002","90","","90","","120","","7666.9","0.4","130","2","130","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C378 H324 O72 -","18","1","","Chang, Meng-Yang; Lee, Yan-Ling","One-pot synthesis of benzofused 8-oxabicyclo[3.3.1]nonanes <i>via</i> GaCl<sub>3</sub>-mediated cyclocondensation of <i>o</i>-allylbenzaldehydes and 1,3-dicarbonyl synthons.","Organic & biomolecular chemistry","2024","22","8","1646","1653","10.1039/d4ob00016a","","","0.71073","MoKα","","0.055","0.0466","","","0.1242","0.1294","","","","","","1.067","","","","has coordinates","290257","2024-03-04","20:40:17",""
"7159783","8.3756","0.0001","10.9149","0.0002","23.507","0.0004","90","","95.279","0.002","90","","2139.87","0.06","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O6 -","- C26 H20 N2 O6 -","- C104 H80 N8 O24 -","4","1","","Paramonova, Polina; Eliseev, Ilia; Dar'in, Dmitry; Bakulina, Olga","Imines with rare α-heteroatom substituted amine components generated in situ via the Staudinger/aza-Wittig tandem reaction and their application in multicomponent reactions","Organic & Biomolecular Chemistry","2024","22","8","1733","1744","10.1039/D3OB01832F","","","1.54184","CuKα","","0.0534","0.0434","","","0.1147","0.1225","","","","","","1.0576","","","","has coordinates","290255","2024-03-04","20:40:02",""
"7159784","7.0783","0.0007","7.7116","0.0007","10.234","0.001","84.195","0.004","86.746","0.004","82.03","0.003","549.87","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C24 H18 N6 O4 -","2","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.0463","0.0406","","","0.0926","0.0959","","","","","","1.059","","","","has coordinates","290252","2024-03-04","20:39:37",""
"7159785","7.879","0.0003","12.9879","0.0004","25.3279","0.0009","90","","90","","90","","2591.85","0.16","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.047","0.0394","","","0.0979","0.1029","","","","","","1.068","","","","has coordinates","290252","2024-03-04","20:39:38",""
"7159786","17.0247","0.0018","8.9614","0.0011","13.2287","0.0012","90","","90","","90","","2018.2","0.4","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 N6 O4 -","- C22 H16 N6 O4 -","- C88 H64 N24 O16 -","4","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.0308","0.03","","","0.0781","0.0789","","","","","","1.043","","","","has coordinates","290252","2024-03-04","20:39:39",""
"7159787","15.4292","0.0012","9.9284","0.0008","17.7983","0.0016","90","","113.305","0.003","90","","2504","0.4","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N6 O5 -","- C28 H26 N6 O5 -","- C112 H104 N24 O20 -","4","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.0496","0.0404","","","0.0996","0.1032","","","","","","1.038","","","","has coordinates","290252","2024-03-04","20:39:39",""
"7159788","12.7714","0.0017","13.5757","0.0017","14.5009","0.0019","100.594","0.004","108.28","0.004","94.426","0.004","2322","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 F6 N12 O6 S -","- C44 H46 F6 N12 O6 S -","- C88 H92 F12 N24 O12 S2 -","2","1","","Senhorães, Nádia R.; Silva, Bruna F.; Sousa, Raquel; Leite, Bruna P.; Gonçalves, Jorge M.; Almeida Paz, Filipe A.; Pereira-Wilson, Cristina; Dias, Alice M.","Synthesis of 6,8-diaminopurines via acid-induced cascade cyclization of 5-aminoimidazole precursors and preliminary anticancer evaluation","Organic & Biomolecular Chemistry","2024","22","7","1500","1513","10.1039/D3OB01985C","","","0.71073","MoKα","","0.1334","0.0857","","","0.224","0.2585","","","","","","1.041","","","","has coordinates","290272","2024-03-04","20:43:01",""
"7159789","10.9241","0.001","18.1857","0.0019","11.7611","0.0013","90","","115.93","0.002","90","","2101.3","0.4","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 O3 -","- C27 H22 O3 -","- C108 H88 O12 -","4","1","","Fan, Jian; Zu, Yanhong; Zheng, Zhimin; Song, Lulu; Wang, Yating; Zhou, Zhou; Liu, Yujun; Xu, Shuwen","A silver-mediated radical process of β-keto sulfones for the synthesis of 2,3-diacyl furans","Organic & Biomolecular Chemistry","2024","22","9","1770","1774","10.1039/D3OB02079G","","x-ray","0.71073","MoKα","","0.1124","0.0539","","","0.1039","0.1286","","","","","","1.017","","","","has coordinates","290278","2024-03-04","20:43:47",""
"7159790","8.3993","0.0005","19.2977","0.0009","11.0438","0.0006","90","","107.107","0.006","90","","1710.86","0.17","298","","298","","","","","","","","","4","P -1","-P 1","2","","none","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","2","","Ghatak, Trisha; Shah, Chandan; Althagafi, Ismail; Giri, Nand Gopal; Nath, Mahendra; Pratap, Ramendra","Iodine/DMSO-mediated one-pot access towards 1-aryl-2-(pyrazol-5-yl)ethane-1,2-diones via a domino reaction from functionalized pent-2-ene-1,5-diones","Organic & Biomolecular Chemistry","2024","22","9","1859","1870","10.1039/D3OB01997G","","","0.71073","MoKα","","0.0958","0.0492","","","0.1181","0.1347","","","","","","1.039","","","","has coordinates","290275","2024-03-04","20:43:28",""
"7159791","18.8607","0.0006","10.4771","0.0003","36.3667","0.0011","90","","90.447","0.002","90","","7186","0.4","154.56","","154.56","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58.5 H103 Cl3 N10 O11 -","- C58.5 H103 Cl3 N10 O11 -","- C234 H412 Cl12 N40 O44 -","4","1","","Patel, Alpesh Ramanlal; Lawer, Aggie; Bhadbhade, Mohan; Hunter, Luke","The influence of backbone fluorination on the helicity of α/γ-hybrid peptides","Organic & Biomolecular Chemistry","2024","22","8","1608","1612","10.1039/D3OB02016A","","","0.71073","MoKα","","0.1191","0.0929","","","0.2733","0.3042","","","","","","1.046","","","","has coordinates","290258","2024-03-04","20:40:33",""
"7159792","17.7179","0.0007","17.7179","0.0007","81.727","0.003","90","","90","","90","","25656.1","1.7","152.41","","152.41","","","","","","","","","4","P 43","P 4cw","78","","","","- C56 H97 N9 O12 -","- C56 H97 N9 O12 -","- C896 H1552 N144 O192 -","16","4","","Patel, Alpesh Ramanlal; Lawer, Aggie; Bhadbhade, Mohan; Hunter, Luke","The influence of backbone fluorination on the helicity of α/γ-hybrid peptides","Organic & Biomolecular Chemistry","2024","22","8","1608","1612","10.1039/D3OB02016A","","","0.71073","MoKα","","0.1274","0.0748","","","0.1913","0.2284","","","","","","1.016","","","","has coordinates,has disorder","290258","2024-03-04","20:40:34",""
"7159793","9.42","0.0018","25.033","0.005","7.5118","0.0014","90","","111.342","0.006","90","","1649.9","0.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 O2 Se -","- C16 H16 Cl2 O2 Se -","- C64 H64 Cl8 O8 Se4 -","4","1","","Dapkekar, Anil Balajirao; Satyanarayana, Gedu","Electrochemical selenofunctionalization of unactivated alkenes: access to β-hydroxy-selenides","Organic & Biomolecular Chemistry","2024","22","9","1775","1781","10.1039/D4OB00105B","","","0.71073","MoKα","","0.0775","0.0396","","","0.0681","0.0794","","","","","","1.027","","","","has coordinates","290273","2024-03-04","20:43:15",""
"7159794","16.87115","0.00015","14.15084","0.00013","17.71183","0.00018","90","","90.5169","0.0009","90","","4228.37","0.07","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 2,6-dimethylBis(imino)acenaphthene 18-Crown-6","","- C44 H58 K N2 O8 -","- C44 H58 K N2 O8 -","- C176 H232 K4 N8 O32 -","4","1","","Babaguchi, Kotono; Bedi, Deepika; Chacon-Teran, Miguel A; Findlater, Michael","α-Diimine-mediated C-H functionalization of arenes for aryl-aryl cross-coupling reactions.","Organic & biomolecular chemistry","2024","22","12","2389","2394","10.1039/d3ob01992f","","x-ray","1.54184","CuKα","","0.0502","0.0478","","","0.1262","0.1278","","","","","","1.043","","","","has coordinates","291057","2024-04-05","00:13:01",""
"7159795","9.948","0.0004","13.3446","0.0005","27.6271","0.0009","90","","90","","90","","3667.6","0.2","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","cobaltocenium thiourea hexafluorophosphate","N-Cobaltocenium-N'-phenylthiourea hexafluorophosphate","","- C17 H16 Co F6 N2 P S -","- C17 H16 Co F6 N2 P S -","- C136 H128 Co8 F48 N16 P8 S8 -","8","2","","Blechschmidt, Daniel R.; Mergendahl, Cal; Kass, Steven R.","Metallocenium incorporated charge-enhanced thiourea catalysts","Organic & Biomolecular Chemistry","2024","22","9","1788","1793","10.1039/D3OB02007J","","","0.71073","MoKα","","0.0553","0.0443","","","0.1004","0.1063","","","","","","1.055","","","","has coordinates,has disorder","290277","2024-03-04","20:43:41",""
"7159796","10.2585","0.0001","13.8145","0.0002","10.0402","0.0001","90","","107.368","0.001","90","","1357.99","0.03","293","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyanodecalin 151","","- C15 H23 N O -","- C15 H23 N O -","- C60 H92 N4 O4 -","4","1","","Fujita, Ryohei; Ooka, Kaito; Wasada, Hiroaki; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","First synthesis of (±)-halichonadins A-D.","Organic & biomolecular chemistry","2024","22","9","1901","1906","10.1039/d4ob00088a","","x-ray","1.54184","CuKα","","0.0392","0.0374","","","0.1033","0.1051","","","","","","1.075","","","","has coordinates","290274","2024-03-04","20:43:23",""
"7159797","9.5724","0.0002","19.816","0.0004","7.5951","0.0001","90","","100.166","0.002","90","","1418.07","0.05","100","0.1","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","halichonadin C","","- C16 H25 N -","- C16 H25 N -","- C64 H100 N4 -","4","1","","Fujita, Ryohei; Ooka, Kaito; Wasada, Hiroaki; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","First synthesis of (±)-halichonadins A-D.","Organic & biomolecular chemistry","2024","22","9","1901","1906","10.1039/d4ob00088a","","x-ray","1.54184","CuKα","","0.0481","0.0429","","","0.1137","0.1179","","","","","","1.064","","","","has coordinates","290274","2024-03-04","20:43:23",""
"7159798","5.8913","0.0001","26.1001","0.0004","9.5853","0.0002","90","","99.765","0.002","90","","1452.52","0.05","100","0.1","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyldecalin 197","","- C16 H27 N O -","- C16 H27 N O -","- C64 H108 N4 O4 -","4","1","","Fujita, Ryohei; Ooka, Kaito; Wasada, Hiroaki; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","First synthesis of (±)-halichonadins A-D.","Organic & biomolecular chemistry","2024","22","9","1901","1906","10.1039/d4ob00088a","","x-ray","1.54184","CuKα","","0.0404","0.0379","","","0.0998","0.1021","","","","","","1.061","","","","has coordinates","290274","2024-03-04","20:43:23",""
"7159799","14.834","0.0012","12.7431","0.0009","27.038","0.002","90","","90","","90","","5111","0.7","150","2","150","2","","","","","","","synthesis as described","3","P b c a","-P 2ac 2ab","61","","","","- C29 H32 O8 -","- C29 H32 O8 -","- C232 H256 O64 -","8","1","","Uriac, Philippe; Ferron, Solenn; Jehan, Philippe; Roisnel, Thierry; Tomasi, Sophie","Δ-Keto-acid/hydroxy-lactone isomerization in some lichen depsides, depsidones and diphenyl ethers.","Organic & biomolecular chemistry","2024","22","11","2264","2270","10.1039/d3ob02026f","","x-ray","0.71073","MoKα","","0.0959","0.084","","","0.1704","0.1758","","","","","","1.275","","","","has coordinates,has disorder","291055","2024-04-05","00:12:49",""
"7159800","10.9445","0.001","11.6383","0.0009","12.2119","0.0009","102.813","0.007","106.382","0.007","97.93","0.007","1421.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,15-bis-trifluoromethyl-10-(p-anisyl)-corrole","","- C34 H24 F6 N4 O -","- C34 H24 F6 N4 O -","- C68 H48 F12 N8 O2 -","2","1","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.132","0.0967","","","0.2826","0.3258","","","","","","1.034","","","","has coordinates","291042","2024-04-05","00:10:28",""
"7159801","8.68015","0.00018","11.4089","0.0003","12.586","0.0003","80.6513","0.0019","70.8233","0.0019","81.5848","0.0018","1155.81","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","5,15-bistrifluoromethyl-10-(4-cyanophenyl)-corrole","","- C28 H15 F6 N5 -","- C28 H15 F6 N5 -","- C56 H30 F12 N10 -","2","1","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.0491","0.0465","","","0.1286","0.1314","","","","","","1.053","","","","has coordinates,has disorder","291042","2024-04-05","00:10:28",""
"7159802","9.21263","0.00019","12.5354","0.0002","15.5289","0.0003","111.284","0.0018","103.501","0.0018","95.1944","0.0016","1594.14","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","5,15-perfluoropropyl-10-(4-cyanophenyl)-corrole","","- C32.5 H16 Cl F14 N5 -","- C32.5 H16 Cl F14 N5 -","- C65 H32 Cl2 F28 N10 -","2","1","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.0765","0.0728","","","0.2244","0.2292","","","","","","1.081","","","","has coordinates,has disorder","291042","2024-04-05","00:10:28",""
"7159803","23.5597","0.0004","11.55887","0.00018","19.1588","0.0003","90","","93.2727","0.0013","90","","5208.88","0.15","295","","295","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","5,15-bis-trifluoromethyl-10-(p-tolyl)-corrole","","- C62 H42 F12 N8 -","- C62 H42 F12 N8 -","- C248 H168 F48 N32 -","4","1","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.0861","0.0765","","","0.23","0.2463","","","","","","1.072","","","","has coordinates","291042","2024-04-05","00:10:28",""
"7159804","18.1959","0.0007","9.9152","0.0004","23.9","0.0009","90","","101.141","0.004","90","","4230.7","0.3","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,15-perfluoroheptyl-10-(p-anisyl)-corrole","","- C40 H18 F30 N4 O -","- C40 H18 F30 N4 O -","- C160 H72 F120 N16 O4 -","4","1","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.1331","0.0921","","","0.2365","0.2692","","","","","","1.065","","","","has coordinates,has disorder","291042","2024-04-05","00:10:28",""
"7159805","13.009","0.003","15.324","0.003","4.6638","0.0009","90","","90","","90","","929.7","0.3","293.15","","293.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","1","","Wu, Zeng-Hui; Qu, Heng-Tong; Han, Ben-Jun; Yang, Jia-Xin; Chang, Xiang-Wei; Feng, Cheng-Tao","Synthesis of pyrazino[1,2-<i>b</i>]indazoles <i>via</i> cascade cyclization of indazole aldehydes with propargylic amines.","Organic & biomolecular chemistry","2024","22","11","2226","2230","10.1039/d4ob00051j","","","0.71073","MoKα","","0.0792","0.0775","","","0.2056","0.2102","","","","","","1.053","","","","has coordinates","291050","2024-04-05","00:12:16",""
"7159806","10.005","0.004","11.035","0.004","18.194","0.007","90","","101.8","0.007","90","","1966.3","1.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O3 S Se -","- C21 H18 O3 S Se -","- C84 H72 O12 S4 Se4 -","4","1","","Abdukerem, Dilshat; Chen, Hui; Mao, Zechuan; Xia, Kun; Zhu, Wenli; Liu, Changhong; Yu, Yuming; Abdukader, Ablimit","Transition metal-free C(sp<sup>3</sup>)-H selenation of β-ketosulfones.","Organic & biomolecular chemistry","2024","22","10","2075","2080","10.1039/d4ob00006d","","","0.71073","MoKα","","0.1795","0.1494","","","0.3917","0.4049","","","","","","1.141","","","","has coordinates","291040","2024-04-05","00:10:10",""
"7159807","25.9576","0.0015","14.7451","0.0009","14.1378","0.0008","90","","96.669","0.002","90","","5374.6","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34.88 H23.77 Cl1.77 F N3 -","- C34.883 H23.766 Cl1.766 F N3 -","- C279.064 H190.128 Cl14.128 F8 N24 -","8","1","","Polkaehn, Jonas; Thom, Richard; Ehlers, Peter; Villinger, Alexander; Langer, Peter","π-Expanded azaullazines: synthesis of quinolino-azaullazines by Povarov reaction and cycloisomerisation.","Organic & biomolecular chemistry","2024","22","10","2027","2042","10.1039/d4ob00091a","","","0.71073","MoKα","","0.0795","0.0516","","","0.1249","0.1401","","","","","","1.051","","","","has coordinates,has disorder","291039","2024-04-05","00:10:03",""
"7159808","11.543","0.0006","11.9861","0.0009","13.867","0.0009","84.966","0.006","76.217","0.005","62.126","0.006","1646.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 N2 O2 -","- C46 H38 N2 O2 -","- C92 H76 N4 O4 -","2","1","","Manenti, Marco; Villa, Tommaso; Macetti, Giovanni; Silvani, Alessandra","Alkene carboamination/oxidative denitrogenation of 3-allyl-3-hydrazinylindolin-2-ones: one-pot entry to spirocyclopropyloxindoles.","Organic & biomolecular chemistry","2024","22","10","2124","2136","10.1039/d3ob02115g","","","0.71073","MoKα","","0.1936","0.1597","","","0.4266","0.4461","","","","","","1.125","","","","has coordinates","291038","2024-04-05","00:09:56",""
"7159809","21.2019","0.0013","9.5258","0.0005","24.3433","0.0012","90","","105.859","0.006","90","","4729.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H38 Br N O2 -","- C51 H38 Br N O2 -","- C204 H152 Br4 N4 O8 -","4","1","","Manenti, Marco; Villa, Tommaso; Macetti, Giovanni; Silvani, Alessandra","Alkene carboamination/oxidative denitrogenation of 3-allyl-3-hydrazinylindolin-2-ones: one-pot entry to spirocyclopropyloxindoles.","Organic & biomolecular chemistry","2024","22","10","2124","2136","10.1039/d3ob02115g","","","1.54184","CuKα","","0.1506","0.0732","","","0.1707","0.2096","","","","","","0.95","","","","has coordinates","291038","2024-04-05","00:09:56",""
"7159810","16.8319","0.0002","10.5753","0.0001","12.5959","0.0001","90","","94.029","0.001","90","","2236.56","0.04","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O7 S -","- C21 H32 N2 O7 S -","- C84 H128 N8 O28 S4 -","4","1","","Yamaguchi, Ayuta; Obiya, Naoki; Arichi, Norihito; Oishi, Shinya; Ohno, Hiroaki; Inuki, Shinsuke","Synthesis of labionin and avionin precursors <i>via</i> a nitrogen-centred-radical-triggered 1,5-HAT reaction of Tris derivatives.","Organic & biomolecular chemistry","2024","22","10","2049","2055","10.1039/d3ob02037a","","x-ray","1.54184","CuKα","","0.0353","0.0351","","","0.0907","0.0913","","","","","","1.042","","","","has coordinates","291041","2024-04-05","00:10:16",""
"7159811","10.5663","0.0002","16.3098","0.0003","13.8053","0.0002","90","","99.809","0.002","90","","2344.35","0.07","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O7 S -","- C21 H32 N2 O7 S -","- C84 H128 N8 O28 S4 -","4","1","","Yamaguchi, Ayuta; Obiya, Naoki; Arichi, Norihito; Oishi, Shinya; Ohno, Hiroaki; Inuki, Shinsuke","Synthesis of labionin and avionin precursors <i>via</i> a nitrogen-centred-radical-triggered 1,5-HAT reaction of Tris derivatives.","Organic & biomolecular chemistry","2024","22","10","2049","2055","10.1039/d3ob02037a","","x-ray","1.54184","CuKα","","0.0411","0.0371","","","0.1008","0.1037","","","","","","1.056","","","","has coordinates","291041","2024-04-05","00:10:16",""
"7159812","34.085","0.002","11.9376","0.0005","15.874","0.0012","90","","112.316","0.008","90","","5975.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 F3 N O2 -","- C17 H12 F3 N O2 -","- C272 H192 F48 N16 O32 -","16","2","","Chen, Feijing; Zhao, Xiao-Xiao; Zhang, Hao-Tian; Ma, Yan-Na; Chen, Xuenian","Facile Friedel-Crafts alkylation of arenes under solvent-free conditions.","Organic & biomolecular chemistry","2024","22","11","2187","2191","10.1039/d4ob00162a","","x-ray","1.54184","CuKα","","0.1073","0.0739","","","0.1964","0.2384","","","","","","1.031","","","","has coordinates,has disorder","291052","2024-04-05","00:12:29",""
"7159813","9.5735","0.0006","9.5741","0.0007","10.0303","0.0008","113.649","0.008","108.152","0.006","94.284","0.006","778.9","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-phenyl-2H-azirine-2-carboxylate","","- C17 H14 N4 O2 -","- C17 H14 N4 O2 -","- C34 H28 N8 O4 -","2","1","","Lu, Qing; He, Yanmin; Chang, Junbiao; Yu, Wenquan","Synthesis of 2,2-difunctionalized 2<i>H</i>-azirines <i>via</i> I<sub>2</sub>-mediated annulation of enamines.","Organic & biomolecular chemistry","2024","22","11","2292","2299","10.1039/d4ob00156g","","x-ray","1.54184","CuKα","","0.0739","0.0493","","","0.1285","0.1504","","","","","","1.025","","","","has coordinates","291054","2024-04-05","00:12:41",""
"7159814","8.8691","0.0003","9.8181","0.0003","12.3544","0.0005","83.507","0.003","89.522","0.003","80.379","0.002","1053.8","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O4 -","- C24 H21 N3 O4 -","- C48 H42 N6 O8 -","2","1","","Chen, Siyi; Liang, Peiyao; Cai, Yilin; Zhou, Liejin; Wang, Shoulei","Substrate-directed divergent annulations of sulfur ylides: synthesis of functionalized bispirocyclopentane and bispirocyclopropane derivatives.","Organic & biomolecular chemistry","2024","22","11","2197","2202","10.1039/d4ob00146j","","","1.54178","CuKα","","0.0778","0.0543","","","0.127","0.1451","","","","","","1.058","","","","has coordinates","291053","2024-04-05","00:12:35",""
"7159815","10.2901","0.0002","22.9799","0.0005","8.7583","0.0002","90","","110.502","0.001","90","","1939.86","0.07","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C92 H80 N8 O16 -","4","1","","Chen, Siyi; Liang, Peiyao; Cai, Yilin; Zhou, Liejin; Wang, Shoulei","Substrate-directed divergent annulations of sulfur ylides: synthesis of functionalized bispirocyclopentane and bispirocyclopropane derivatives.","Organic & biomolecular chemistry","2024","22","11","2197","2202","10.1039/d4ob00146j","","","1.54178","CuKα","","0.0646","0.0496","","","0.1301","0.1437","","","","","","1.042","","","","has coordinates","291053","2024-04-05","00:12:35",""
"7159816","8.5508","0.0001","12.4763","0.0001","16.5868","0.0001","90","","90","","90","","1769.52","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C72 H96 O28 -","4","1","","Duan, Fangfang; Qin, Chunlun; Sang, Zihuan; Wei, Xiaoyi; Ruan, Hanli","Lignans and [11]-chaetoglobosins from <i>Pseudeurotium bakeri</i> and their immunosuppressive activity.","Organic & biomolecular chemistry","2024","22","11","2271","2278","10.1039/d3ob02109b","","x-ray","1.54184","CuKα","","0.0249","0.0243","","","0.0633","0.0637","","","","","","1.042","","","","has coordinates","291051","2024-04-05","00:12:23",""
"7159817","14.4485","0.0012","8.609","0.0007","16.5929","0.0014","90","","101.029","0.004","90","","2025.8","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H46 Cl3 F3 N2 O6 -","- C41 H46 Cl3 F3 N2 O6 -","- C82 H92 Cl6 F6 N4 O12 -","2","1","","Duan, Fangfang; Qin, Chunlun; Sang, Zihuan; Wei, Xiaoyi; Ruan, Hanli","Lignans and [11]-chaetoglobosins from <i>Pseudeurotium bakeri</i> and their immunosuppressive activity.","Organic & biomolecular chemistry","2024","22","11","2271","2278","10.1039/d3ob02109b","","x-ray","1.34139","Synchrotron","GaKα","0.1005","0.0889","","","0.2401","0.25","","","","","","1.058","","","","has coordinates,has disorder","291051","2024-04-05","00:12:23",""
"7159818","7.856","0.0006","9.6968","0.0007","12.0012","0.0009","70.998","0.001","85.037","0.001","87.512","0.001","861.06","0.11","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C36 H48 O14 -","2","2","","Duan, Fangfang; Qin, Chunlun; Sang, Zihuan; Wei, Xiaoyi; Ruan, Hanli","Lignans and [11]-chaetoglobosins from <i>Pseudeurotium bakeri</i> and their immunosuppressive activity.","Organic & biomolecular chemistry","2024","22","11","2271","2278","10.1039/d3ob02109b","","x-ray","1.34139","Synchrotron","GaKα","0.0813","0.0778","","","0.2146","0.2382","","","","","","1.088","","","","has coordinates","291051","2024-04-05","00:12:23",""
"7159819","7.38752","0.00008","13.87031","0.00012","16.86229","0.00017","90","","102.371","0.001","90","","1687.71","0.03","149.98","0.1","149.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","An, Zhenyu; Miao, Man; Sun, Fengkai; Lan, Xiao-Bing; Yu, Jian-Qiang; Guo, Xiaoli; Zhang, Jian","Copper-catalyzed oxidative cyclization of 2-(1<i>H</i>-pyrrol-1-yl)aniline and alkylsilyl peroxides: a route to pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2024","22","12","2370","2374","10.1039/d3ob01934a","","x-ray","1.54184","CuKα","","0.0398","0.0383","","","0.0989","0.1","","","","","","1.053","","","","has coordinates","291059","2024-04-05","00:13:22",""
"7159820","9.5458","0.0003","10.8218","0.0003","18.6882","0.0005","102.663","0.001","92.618","0.001","90.594","0.001","1881.21","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 I N O4 S -","- C19 H18 I N O4 S -","- C76 H72 I4 N4 O16 S4 -","4","2","","Bao, Xiaobo; Wang, Guoli; Dong, Xu; Zhu, Mengxiao; Yang, Lili; Zhu, Junjie; Shi, Qingyuan; Zhang, Hongzhen; Chen, Dongyin","I<sub>2</sub>/CF<sub>3</sub>CO<sub>2</sub>Ag-mediated iodolactonization of various allenoic acids to access versatile 6- to 9-membered ring vinylic iodolactones.","Organic & biomolecular chemistry","2024","22","12","2443","2450","10.1039/d4ob00061g","","","1.54178","CuKα","","0.0725","0.069","","","0.182","0.1889","","","","","","1.101","","","","has coordinates,has disorder","291061","2024-04-05","00:13:33",""
"7159821","5.8219","0.0004","8.6182","0.0005","13.5458","0.0008","81.096","0.002","88.255","0.002","73.391","0.002","643.38","0.07","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C28 H26 N2 O4 S2 -","2","1","","Chakraborty, Nikita; Rajbongshi, Kamal K.; Gondaliya, Amisha; Patel, Bhisma K.","PIDA/I<sub>2</sub>-mediated photo-induced aerobic <i>N</i>-acylation of sulfoximines with methylarenes.","Organic & biomolecular chemistry","2024","22","12","2375","2379","10.1039/d4ob00175c","","","0.71073","MoKα","","0.0769","0.0552","","","0.1069","0.118","","","","","","1.139","","","","has coordinates","291060","2024-04-05","00:13:27",""
"7159822","4.045","0.003","12.408","0.011","15.626","0.014","80.01","0.02","88.13","0.02","87.1","0.02","771.2","1.1","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","","Chamakiya, Chirag A.; Chothani, Savankumar R.; Joshi, Rupal J.; Bhalodia, Jasmin; Ambasana, Mrunal A.; Bapodra, Atul H.; Kapuriya, Naval","Efficient and metal-free synthesis of 2-aroyl 7-azaindoles <i>via</i> thermally induced denitrogenative intramolecular annulation of 1,2,3,4-tetrazolopyridines.","Organic & biomolecular chemistry","2024","22","11","2192","2196","10.1039/d4ob00078a","","","0.71073","MoKα","","0.0557","0.0463","","","0.1286","0.1379","","","","","","1.05","","","","has coordinates","291056","2024-04-05","00:12:55",""
"7159823","7.2336","0.0008","10.6828","0.0011","10.9368","0.0012","90","","101.791","0.004","90","","827.31","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","","Liu, Shuai; Liu, Xin; Zhang, Tian-Shu; Bao, Xiaoyu; Sheng, Xiaoyu; Qi, Zhenjie; Jiang, Dongfang","Electro-oxidative intermolecular C<sub>SP<sup>2</sup></sub>-H amination of heteroarenes <i>via</i> proton-coupled electron transfer.","Organic & biomolecular chemistry","2024","22","13","2549","2553","10.1039/d4ob00164h","","","0.71073","MoKα","","0.1081","0.0795","","","0.1824","0.1982","","","","","","1.095","","","","has coordinates","291046","2024-04-05","00:11:37",""
"7159824","15.06","0.0014","17.7122","0.0016","9.6717","0.0009","90","","90","","90","","2579.9","0.4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H23 F3 N2 O6 S -","- C27 H23 F3 N2 O6 S -","- C108 H92 F12 N8 O24 S4 -","4","1","","Liu, Shuai; Liu, Xin; Zhang, Tian-Shu; Bao, Xiaoyu; Sheng, Xiaoyu; Qi, Zhenjie; Jiang, Dongfang","Electro-oxidative intermolecular C<sub>SP<sup>2</sup></sub>-H amination of heteroarenes <i>via</i> proton-coupled electron transfer.","Organic & biomolecular chemistry","2024","22","13","2549","2553","10.1039/d4ob00164h","","","0.71073","MoKα","","0.0863","0.055","","","0.12","0.137","","","","","","1.059","","","","has coordinates","291046","2024-04-05","00:11:37",""
"7159825","6.3402","0.0003","7.4033","0.0003","10.8259","0.0004","102.832","0.004","92.959","0.003","114.223","0.004","445.98","0.04","107","4","107","4","","","","","","","","3","P -1","-P 1","2","","","","- C1.54 H1.38 N0.46 -","- C1.53846 H1.38462 N0.461538 -","- C20 H18 N6 -","13","6.5","","Pal, Koustav; Srinivasu, Vinjamuri; Biswas, Sourabh; Sureshkumar, Devarajulu","Visible light-induced organo-photocatalyzed route to synthesize substituted pyrazoles.","Organic & biomolecular chemistry","2024","22","12","2384","2388","10.1039/d4ob00248b","","x-ray","1.54184","CuKα","","0.0465","0.0432","","","0.1274","0.1339","","","","","","1.085","","","","has coordinates","291062","2024-04-05","00:13:37",""
"7159826","10.094","0.004","10.648","0.006","13.883","0.009","73.3","0.03","70.165","0.018","72.632","0.017","1310.5","1.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N2 O6 S3 -","- C27 H26 N2 O6 S3 -","- C54 H52 N4 O12 S6 -","2","1","","Cheng, Ling-Chao; Wang, Zhihua; He, Xinglei; Liang, Wangfu; Ye, Ke-Yin","Cobalt-catalyzed amination of aziridines and azetidines toward 1,2- and 1,3-diamines.","Organic & biomolecular chemistry","2024","22","13","2554","2557","10.1039/d4ob00168k","","","0.71073","MoKα","","0.1032","0.0936","","","0.2768","0.3043","","","","","","1.415","","","","has coordinates","291043","2024-04-05","00:11:04",""
"7159827","9.9841","0.0002","9.9889","0.0002","15.0529","0.0005","76.184","0.003","78.526","0.002","74.084","0.002","1387.52","0.06","292.98","0.16","292.98","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O6 S3 -","- C28 H28 N2 O6 S3 -","- C56 H56 N4 O12 S6 -","2","1","","Cheng, Ling-Chao; Wang, Zhihua; He, Xinglei; Liang, Wangfu; Ye, Ke-Yin","Cobalt-catalyzed amination of aziridines and azetidines toward 1,2- and 1,3-diamines.","Organic & biomolecular chemistry","2024","22","13","2554","2557","10.1039/d4ob00168k","","x-ray","1.54184","CuKα","","0.0746","0.0685","","","0.2097","0.2129","","","","","","1.088","","","","has coordinates","291043","2024-04-05","00:11:05",""
"7159828","48.894","0.005","6.5606","0.0006","37.444","0.004","90","","131.285","0.018","90","","9026","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C352 H304 N16 O48 S16 -","16","2","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","1.54184","CuKα","","0.1567","0.0785","","","0.1856","0.2313","","","","","","1.078","","","","has coordinates","291045","2024-04-05","00:11:30",""
"7159829","46.828","0.009","15.239","0.003","14.999","0.003","90","","106.54","0.03","90","","10261","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C480 H456 N24 O72 S24 -","24","3","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","0.80246","synchrotron","","0.1143","0.0896","","","0.1986","0.2142","","","","","","1.016","","","","has coordinates","291045","2024-04-05","00:11:30",""
"7159830","9.65056","0.00014","11.27375","0.00016","12.80694","0.00018","101.984","0.0012","108.181","0.0013","109.807","0.0013","1166.44","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O4 S2 -","- C27 H27 N O4 S2 -","- C54 H54 N2 O8 S4 -","2","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","1.54184","CuKα","","0.0359","0.0347","","","0.0915","0.0925","","","","","","1.078","","","","has coordinates,has disorder","291045","2024-04-05","00:11:30",""
"7159831","9.84055","0.00007","10.20769","0.00007","12.02385","0.00008","95.4243","0.0006","96.5429","0.0006","101.311","0.0006","1168.12","0.014","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N O3 S -","- C28 H29 N O3 S -","- C56 H58 N2 O6 S2 -","2","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","1.54184","CuKα","","0.0371","0.0363","","","0.0969","0.0977","","","","","","1.077","","","","has coordinates","291045","2024-04-05","00:11:30",""
"7159832","12.2769","0.0003","11.7542","0.0003","32.9548","0.0009","90","","94.633","0.002","90","","4740","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 D6 F4 N O4 S2 -","- C24 H15 D6 F4 N O4 S2 -","- C192 H120 D48 F32 N8 O32 S16 -","8","2","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","0.71073","MoKα","","0.0949","0.0487","","","0.1076","0.1282","","","","","","1.016","","","","has coordinates,has disorder","291045","2024-04-05","00:11:30",""
"7159833","11.1667","0.0008","13.3681","0.001","15.9013","0.0013","74.286","0.002","80.082","0.002","71.936","0.002","2162.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 D6 N2 O7 S3 -","- C48 H50 D6 N2 O7 S3 -","- C96 H100 D12 N4 O14 S6 -","2","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","0.71073","MoKα","","0.1139","0.0574","","","0.0989","0.1156","","","","","","1.002","","","","has coordinates","291045","2024-04-05","00:11:31",""
"7159834","13.5933","0.0006","12.7117","0.0005","12.7881","0.0005","90","","97.701","0.002","90","","2189.78","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br D6 N O4 S2 -","- C23 H16 Br D6 N O4 S2 -","- C92 H64 Br4 D24 N4 O16 S8 -","4","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","0.71073","MoKα","","0.0474","0.0302","","","0.0608","0.0662","","","","","","1.012","","","","has coordinates","291045","2024-04-05","00:11:31",""
"7159835","6.496","0.003","11.821","0.005","12.772","0.005","73.748","0.008","83.671","0.009","75.267","0.008","909.8","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 F2 N O3 -","- C19 H25 F2 N O3 -","- C38 H50 F4 N2 O6 -","2","1","","Choi, Anthony; Das, Anjan; Meijer, Anthony J. H. M.; Proietti Silvestri, Ilaria; Coldham, Iain","Synthesis of enantioenriched spirocyclic 2-arylpiperidines via kinetic resolution","Organic & Biomolecular Chemistry","2024","22","8","1602","1607","10.1039/D4OB00011K","","","0.71073","MoKα","","0.0488","0.041","","","0.1094","0.1173","","","","","","1.041","","","","has coordinates","290071","2024-03-04","14:33:57",""
"7159836","8.252","0.007","10.441","0.011","12.226","0.01","90","","100.816","0.01","90","","1034.7","1.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl F2 N O4 -","- C20 H24 Cl F2 N O4 -","- C40 H48 Cl2 F4 N2 O8 -","2","1","","Choi, Anthony; Das, Anjan; Meijer, Anthony J. H. M.; Proietti Silvestri, Ilaria; Coldham, Iain","Synthesis of enantioenriched spirocyclic 2-arylpiperidines via kinetic resolution","Organic & Biomolecular Chemistry","2024","22","8","1602","1607","10.1039/D4OB00011K","","","0.71073","MoKα","","0.0416","0.0347","","","0.0751","0.0794","","","","","","1.025","","","","has coordinates","290071","2024-03-04","14:33:58",""
"7159837","9.2123","0.0003","13.9474","0.0006","20.68","0.0007","100.472","0.003","92.038","0.003","92.699","0.003","2607.33","0.17","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 F3 N3 O3 S -","- C29 H24 F3 N3 O3 S -","- C116 H96 F12 N12 O12 S4 -","4","2","","Zhu, Yannan; Bo, Fang; Wang, Xuying; Jiang, Qianxi; Li, Qiuyun; Han, Zhongfei; Wang, Yi-Ning; Qi, Gang","Construction of 1,3,4-oxadiazolines bearing CF3-quaternary centers via amino-assisted [3 + 2] cycloadditions","Organic & Biomolecular Chemistry","2024","22","7","1391","1394","10.1039/D3OB02096G","","","0.71073","MoKα","","0.0862","0.0624","","","0.1567","0.1799","","","","","","1.032","","","","has coordinates","290072","2024-03-04","14:35:05",""
"7159838","7.2327","0.0011","7.6558","0.0011","13.5621","0.0018","100.334","0.004","95.405","0.004","109.676","0.004","685.89","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 F3 N O -","- C17 H10 F3 N O -","- C34 H20 F6 N2 O2 -","2","1","","Liu, Jiami; Lu, Yi; Zhu, Lingxuan; Lei, Xinsheng","Construction of indolizine scaffolds from α,ω-alkynoic acids and α,ω-vinylamines <i>via</i> sequential-relay catalysis in ""one pot"".","Organic & biomolecular chemistry","2024","22","12","2474","2479","10.1039/d4ob00067f","","","0.71073","MoKα","","0.1572","0.0614","","","0.1446","0.1908","","","","","","0.959","","","","has coordinates","291058","2024-04-05","00:13:16",""
"7159839","10.1714","0.0006","10.7451","0.0006","15.1448","0.001","90","","91.646","0.002","90","","1654.53","0.17","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C80 H52 Br4 N8 O4 -","4","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.0791","0.0454","","","0.099","0.1126","","","","","","1.015","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159840","15.7784","0.0019","7.2071","0.0009","13.3839","0.0014","90","","97.417","0.003","90","","1509.2","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.0789","0.0611","","","0.1422","0.1519","","","","","","1.122","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159841","12.7391","0.0007","9.0644","0.0005","24.8179","0.0014","90","","90","","90","","2865.8","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.1315","0.0924","","","0.2234","0.2452","","","","","","1.097","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159842","5.1247","0.0005","13.5141","0.0015","20.781","0.002","90","","94.934","0.005","90","","1433.9","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Br N2 O -","- C17 H11 Br N2 O -","- C68 H44 Br4 N8 O4 -","4","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.0626","0.044","","","0.1072","0.1172","","","","","","1.029","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159843","13.347","0.002","7.581","0.002","29.868","0.003","90","","90","","90","","3022.2","1","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl F3 N2 O -","- C16 H10 Cl F3 N2 O -","- C128 H80 Cl8 F24 N16 O8 -","8","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.0641","0.053","","","0.1366","0.1446","","","","","","1.063","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159844","10.7582","0.0002","12.2091","0.0002","18.8089","0.0004","90","","90","","90","","2470.51","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H42 O6 Si -","- C23 H42 O6 Si -","- C92 H168 O24 Si4 -","4","1","","Sun, Ying; Fu, Shaomin; Liu, Bo","Asymmetric synthesis of the fully functionalized six-membered ring of Siphonol A","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00104D","","","1.54178","CuKα","","0.0415","0.0404","","","0.1046","0.106","","","","","","1.048","","","","has coordinates","290418","2024-03-09","01:43:19",""
"7159845","9.6503","0.0002","12.2687","0.0002","22.1064","0.0004","81.658","0.001","84.899","0.001","77.132","0.001","2520.24","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 Br2 N6 O4 -","- C60 H56 Br2 N6 O4 -","- C120 H112 Br4 N12 O8 -","2","1","","Baldini, Lorenzo; Lenci, Elena; Faggi, Cristina; Trabocchi, Andrea","Identification of BACE-1 inhibitors through directed C(sp<sup>3</sup>)-H activation on 5-oxo-pyrrolidine-3-carboxylic acid derivatives.","Organic & biomolecular chemistry","2024","22","14","2754","2763","10.1039/d3ob02117c","","","1.54178","CuKα","","0.0497","0.0365","","","0.1093","0.1143","","","","","","1.087","","","","has coordinates","291047","2024-04-05","00:11:43",""
"7159846","10.1201","0.0002","11.3054","0.0003","13.5515","0.0003","70.37","0.001","72.458","0.001","67.802","0.001","1324.77","0.05","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O5 -","- C33 H25 N O5 -","- C66 H50 N2 O10 -","2","1","","Savchuk, Mariia; Vo-Thanh, Giang; Oudeyer, Sylvain; Beucher, Hélène; Brière, Jean-François","Vinylogous and Stereoselective Domino Synthesis of Pyrano[2,3-c]pyrroles from Alkylidene Meldrum’s acids","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00233D","","x-ray","0.71073","MoKα","","0.0655","0.052","","","0.1389","0.1512","","","","","","1.059","","","","has coordinates","290439","2024-03-12","01:45:06",""
"7159847","8.9855","0.0002","19.7009","0.0003","12.8893","0.0002","90","","102.475","0.002","90","","2227.83","0.07","301.78","0.1","301.78","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F2 N4 O -","- C25 H20 F2 N4 O -","- C100 H80 F8 N16 O4 -","4","1","","Feng, Yang; Ren, Yuanyuan; Tang, Duoduo; Wang, Ke-Hu; Wang, Junjiao; Huang, Danfeng; Lv, Xiaobo; Hu, Yulai","Synthesis of difluoromethylated spiropyrazolones <i>via</i> [3 + 2] cycloaddition of difluoroacetohydrazonoyl bromides with alkylidene pyrazolones.","Organic & biomolecular chemistry","2024","22","14","2797","2812","10.1039/d4ob00044g","","x-ray","1.54184","CuKα","","0.0711","0.0621","","","0.1853","0.1944","","","","","","1.072","","","","has coordinates,has disorder","291049","2024-04-05","00:12:06",""
"7159848","19.8243","0.0004","7.1803","0.0001","16.7155","0.0003","90","","104.02","0.002","90","","2308.48","0.07","274.7","0.3","274.7","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cl2 F2 N4 O -","- C25 H18 Cl2 F2 N4 O -","- C100 H72 Cl8 F8 N16 O4 -","4","1","","Feng, Yang; Ren, Yuanyuan; Tang, Duoduo; Wang, Ke-Hu; Wang, Junjiao; Huang, Danfeng; Lv, Xiaobo; Hu, Yulai","Synthesis of difluoromethylated spiropyrazolones <i>via</i> [3 + 2] cycloaddition of difluoroacetohydrazonoyl bromides with alkylidene pyrazolones.","Organic & biomolecular chemistry","2024","22","14","2797","2812","10.1039/d4ob00044g","","x-ray","1.54184","CuKα","","0.0551","0.0533","","","0.1391","0.141","","","","","","1.074","","","","has coordinates","291049","2024-04-05","00:12:06",""
"7159849","18.9993","0.0002","11.37225","0.00015","43.5762","0.0005","90","","96.9104","0.0011","90","","9346.89","0.19","301.71","0.1","301.71","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C50 H36 Cl4 F4 N8 O2 -","- C50 H36 Cl4 F4 N8 O2 -","- C400 H288 Cl32 F32 N64 O16 -","8","1","","Feng, Yang; Ren, Yuanyuan; Tang, Duoduo; Wang, Ke-Hu; Wang, Junjiao; Huang, Danfeng; Lv, Xiaobo; Hu, Yulai","Synthesis of difluoromethylated spiropyrazolones <i>via</i> [3 + 2] cycloaddition of difluoroacetohydrazonoyl bromides with alkylidene pyrazolones.","Organic & biomolecular chemistry","2024","22","14","2797","2812","10.1039/d4ob00044g","","x-ray","1.54184","CuKα","","0.076","0.0644","","","0.1957","0.2087","","","","","","1.083","","","","has coordinates","291049","2024-04-05","00:12:06",""
"7159850","9.0184","0.0001","19.8009","0.0003","12.6774","0.0002","90","","101.082","0.001","90","","2221.62","0.06","287.3","0.2","287.3","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 F3 N4 O -","- C25 H19 F3 N4 O -","- C100 H76 F12 N16 O4 -","4","1","","Feng, Yang; Ren, Yuanyuan; Tang, Duoduo; Wang, Ke-Hu; Wang, Junjiao; Huang, Danfeng; Lv, Xiaobo; Hu, Yulai","Synthesis of difluoromethylated spiropyrazolones <i>via</i> [3 + 2] cycloaddition of difluoroacetohydrazonoyl bromides with alkylidene pyrazolones.","Organic & biomolecular chemistry","2024","22","14","2797","2812","10.1039/d4ob00044g","","x-ray","1.54184","CuKα","","0.0581","0.0531","","","0.151","0.1555","","","","","","1.085","","","","has coordinates","291049","2024-04-05","00:12:06",""
"7159851","10.1829","0.0008","13.8753","0.001","14.2627","0.001","63.913","0.002","89.426","0.002","73.285","0.002","1717.5","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H54 N8 O4 -","- C36 H54 N8 O4 -","- C72 H108 N16 O8 -","2","1","","Le Roy, Marie M.; Claes, Sandra; Saffon-Merceron, Nathalie; Schols, Dominique; Troadec, Thibault; Tripier, Raphael","Selective synthesis of an elusive C-functionalized bis-cyclam through the bis-aminal route and study of its inhibition properties of CXCR4 chemokine receptor","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D3OB02050A","","","0.71073","MoKα","","0.1323","0.0797","","","0.2293","0.2686","","","","","","1.032","","","","has coordinates","290534","2024-03-19","02:26:51",""
"7159852","5.16094","0.00017","12.6912","0.0004","8.2512","0.0003","90","","92.987","0.003","90","","539.71","0.03","110","0.1","110","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3,4,5-Trihydroxy-6-(hydroxymethyl)-1-(3-hydroxypropanoyl)piperidin-2-one","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C18 H30 N2 O14 -","2","1","","Yang, Zhongzhen; Arnoux, Marion; Hazelard, Damien; Hughes, Owen; Nabarro, Joe; Whitwood, Adrian Charles; Fascione, Martin A.; Spicer, Christopher D.; Compain, Philippe; Unsworth, William Paul","Expanding the scope of the Successive Ring Expansion strategy for macrocycle and medium-sized ring synthesis: unreactive and reactive lactams","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00285G","","x-ray","1.54184","CuKα","","0.0326","0.0292","","","0.0651","0.0674","","","","","","1.044","","","","has coordinates","290572","2024-03-21","01:42:21",""
"7159853","9.767","0.0009","12.1981","0.0012","12.7598","0.0012","73.207","0.002","83.479","0.004","79.591","0.003","1428.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl N3 O2 S -","- C28 H28 Cl N3 O2 S -","- C56 H56 Cl2 N6 O4 S2 -","2","1","","Wang, Liang; Song, Xiaopei; Guo, Fengxia; Xu, Lubin; Hu, Fangzhi; Guo, Feng-Wei; Li, Shuai-Shuai","Diversity-oriented synthesis of indole-fused scaffolds and bis(indolyl)methane from tosyl-protected tryptamine.","Organic & biomolecular chemistry","2024","22","14","2824","2834","10.1039/d4ob00099d","","","0.71073","MoKα","","0.0967","0.0661","","","0.1639","0.1779","","","","","","1.019","","","","has coordinates","291048","2024-04-05","00:11:49",""
"7159854","17.2157","0.0004","9.9039","0.0002","18.6383","0.0004","90","","99.352","0.002","90","","3135.64","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 N6 O6 S2 -","- C72 H70 N6 O6 S2 -","- C144 H140 N12 O12 S4 -","2","0.5","","Wang, Liang; Song, Xiaopei; Guo, Fengxia; Xu, Lubin; Hu, Fangzhi; Guo, Feng-Wei; Li, Shuai-Shuai","Diversity-oriented synthesis of indole-fused scaffolds and bis(indolyl)methane from tosyl-protected tryptamine.","Organic & biomolecular chemistry","2024","22","14","2824","2834","10.1039/d4ob00099d","","","1.54184","CuKα","","0.0548","0.0455","","","0.1226","0.1307","","","","","","1.028","","","","has coordinates,has disorder","291048","2024-04-05","00:11:50",""
"7159855","14.6339","0.0005","15.1689","0.0005","16.0492","0.0003","102.718","0.002","111.425","0.003","105.578","0.003","2986.6","0.2","139.9","0.4","139.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N3 O5 -","- C31 H29 N3 O5 -","- C124 H116 N12 O20 -","4","2","","Barlow, Sean Richard; Halcovitch, Nathan Ross; Evans, Nicholas Henley","A pyridine-N-oxide catenane for cation recognition","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00176A","","x-ray","1.54184","CuKα","","0.0867","0.0658","","","0.1888","0.2141","","","","","","1.026","","","","has coordinates","290604","2024-03-23","01:49:25",""
"7159856","21.5269","0.0002","11.1056","0.0001","21.8729","0.0002","90","","99.44","0.001","90","","5158.32","0.08","99.93","0.16","99.93","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N3 O4 -","- C31 H29 N3 O4 -","- C248 H232 N24 O32 -","8","2","","Barlow, Sean Richard; Halcovitch, Nathan Ross; Evans, Nicholas Henley","A pyridine-N-oxide catenane for cation recognition","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00176A","","x-ray","1.54184","CuKα","","0.0439","0.0372","","","0.0907","0.0948","","","","","","1.059","","","","has coordinates","290604","2024-03-23","01:49:25",""
"7159857","10.184","0.0005","14.8969","0.0007","14.107","0.0007","90","","108.171","0.001","90","","2033.44","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C43 H66 O11 -","- C43 H66 O11 -","- C86 H132 O22 -","2","1","","Li, Man; Feng, Ling; Zhang, Han; Liu, Yan-Chun; Zhou, Ting-Ting; Zheng, Yu; Guo, Kai; Liu, Yan; Li, Sheng-Hong","Unusual immunosuppressive pyridine-containing, bisnor- (c23), tetranor- (c21) and pentanor- (c20) sesterterpenoids from Tibetan Leucosceptrum canum","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00334A","","","1.54178","CuKα","","0.0539","0.0536","","","0.1405","0.1408","","","","","","1.054","","","","has coordinates","290605","2024-03-23","01:49:41",""
"7159858","11.202","0.0002","11.3554","0.0002","18.8713","0.0004","103.795","0.0018","102.27","0.0018","93.4841","0.0016","2262.23","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 Br N4 O3 -","- C58 H46 Br N4 O3 -","- C116 H92 Br2 N8 O6 -","2","1","","Chen, Yuzhen; Chen, Jiajia; Zhong, Lin; Zhang, Yili; Zhan, Ruoting; Huang, Huicai; Xue, Yongbo","Enantioselective synthesis of spirooxindole-pyran derivatives via remote Inverse-Electron-Demand Diels−Alder reaction of β,γ-unsaturated amides","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00303A","","x-ray","1.54184","CuKα","","0.0798","0.0733","","","0.2054","0.213","","","","","","1.065","","","","has coordinates","290623","2024-03-24","01:37:49",""
"7159859","5.74906","0.00011","19.4433","0.0005","17.5592","0.0004","90","","93.9972","0.0018","90","","1958.01","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl O2 P -","- C22 H20 Cl O2 P -","- C88 H80 Cl4 O8 P4 -","4","1","","Huang, Hua; Wu, Yi-Qi; Han, Lu-Yao; Jiang, Lu; Zhang, Zhuo-Zhuo; Zhang, Xiang; Han, Bo; Huang, Wei; Li, Jun-Long","Palladium-Catalyzed (Z)-Selective Allylation of Phosphine Oxides with Vinylethylene Carbonates to Construct Phosphorus Allyl Alcohols","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00354C","","x-ray","1.54184","CuKα","","0.0718","0.0618","","","0.1706","0.1865","","","","","","1.019","","","","has coordinates","290624","2024-03-24","01:38:03",""
"7159860","9.7029","0.0007","10.6515","0.0007","11.9141","0.0008","77.212","0.002","73.407","0.002","74.174","0.002","1121.49","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N4 S -","- C12 H10 N4 S -","- C48 H40 N16 S4 -","4","2","","Ramdas, Nishanth; Das, Soumyadip; Jacob, Kezia; Alam, M. Mujahid; Balamurali, M. M.; Chanda, Kaushik","Synthetic Access to Diverse Thiazetidines via One-Pot Microwave Assisted Telescopic Approach and its Interaction with Biomolecules","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00075G","","","0.71073","MoKα","","0.0428","0.0377","","","0.1087","0.1142","","","","","","1.122","","","","has coordinates","290671","2024-03-27","02:06:20",""
"7159861","15.7","0.002","11.2137","0.0013","13.4533","0.0013","90","","90","","90","","2368.5","0.5","298","","298","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H20 N2 O7 S2 -","- C24 H20 N2 O7 S2 -","- C96 H80 N8 O28 S8 -","4","0.5","","Panday, Surabhi; Maity, Tapas; Bhatti, Pratibha; Laha, Joydev K.","Direct access to pyrrole anhydrides <i>via</i> oxidative self-coupling of pyrrole carboxaldehydes.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob00052h","","x-ray","0.71073","MoKα","","0.0988","0.0418","","","0.0996","0.1246","","","","","","1.029","","","","has coordinates","290692","2024-03-28","01:42:44",""
"7159862","11.55","0.004","19.972","0.01","14.943","0.007","90","","95.194","0.011","90","","3433","3","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H52 N2 O6 -","- C38 H52 N2 O6 -","- C152 H208 N8 O24 -","4","2","","Ramírez-Lozano, Claudia M.; Ochoa, Maria Eugenia; Labra-Vázquez, Pablo; Jimenez-Sanchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the Self-Assembly Dynamics of Novel Steroid-Coumarin Conjugates: A Comprehensive Spectroscopic and Solid-State Investigation","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00192C","","","0.71073","MoKα","","0.0831","0.048","","","0.114","0.1313","","","","","","1.034","","","","has coordinates","290693","2024-03-28","01:43:14",""
"7159863","8.0067","0.0018","10.661","0.002","23.119","0.005","79.169","0.006","85.466","0.006","85.116","0.006","1927.2","0.7","295","2","295","2","","","","","","","","5","P 1","P 1","1","","","","- C74.18 H106.96 Cl3 N4 O13.4 -","- C74.32 H107.3 Cl3 N4 O13.415 -","- C74.32 H107.3 Cl3 N4 O13.415 -","1","1","","Ramírez-Lozano, Claudia M.; Ochoa, Maria Eugenia; Labra-Vázquez, Pablo; Jimenez-Sanchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the Self-Assembly Dynamics of Novel Steroid-Coumarin Conjugates: A Comprehensive Spectroscopic and Solid-State Investigation","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00192C","","","0.71073","MoKα","","0.117","0.0868","","","0.2278","0.2616","","","","","","1.026","","","","has coordinates,has disorder","290693","2024-03-28","01:43:15",""
"7159864","9.117","0.002","12.119","0.003","14.803","0.004","82.309","0.005","78.83","0.005","70.106","0.005","1504.7","0.6","294","2","294","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H40 N2 O6 -","- C35 H40 N2 O6 -","- C70 H80 N4 O12 -","2","2","","Ramírez-Lozano, Claudia M.; Ochoa, Maria Eugenia; Labra-Vázquez, Pablo; Jimenez-Sanchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the Self-Assembly Dynamics of Novel Steroid-Coumarin Conjugates: A Comprehensive Spectroscopic and Solid-State Investigation","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00192C","","","0.71073","MoKα","","0.4131","0.0948","","","0.1585","0.2588","","","","","","0.919","","","","has coordinates,has disorder","290693","2024-03-28","01:43:16",""
"7159865","13.6252","0.0016","18.037","0.002","27.681","0.004","90","","98.174","0.003","90","","6733.7","1.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H50 N2 O6 -","- C38 H50 N2 O6 -","- C304 H400 N16 O48 -","8","4","","Ramírez-Lozano, Claudia M.; Ochoa, Maria Eugenia; Labra-Vázquez, Pablo; Jimenez-Sanchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the Self-Assembly Dynamics of Novel Steroid-Coumarin Conjugates: A Comprehensive Spectroscopic and Solid-State Investigation","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00192C","","","0.71073","MoKα","","0.1899","0.0826","","","0.166","0.2156","","","","","","1.054","","","","has coordinates","290693","2024-03-28","01:43:16",""
"7159866","8.4096","0.0001","14.7442","0.0002","17.5925","0.0002","109.465","0.001","94.577","0.001","105.526","0.001","1947.03","0.05","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H41 B Cl3 F2 I N2 O3 S -","- C38 H41 B Cl3 F2 I N2 O3 S -","- C76 H82 B2 Cl6 F4 I2 N4 O6 S2 -","2","1","","Kumar, Bintu; Bhatta, Anindita; Saraf, Prakriti; Taur, Prakash Pandurang; Rangan, Krishnan; Sarkar, Madhushree; Mitra, Sivaprasad; Kumar, Dalip","BODIPY(aryl)iodonium Salts in the Efficient Synthesis of Diversely Functionalized BODIPYs and Selective Detection of Serum Albumin","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00336E","","x-ray","1.54184","CuKα","","0.0438","0.0429","","","0.117","0.1176","","","","","","1.114","","","","has coordinates","290744","2024-04-03","00:58:29",""
"7159867","9.5461","0.0005","11.3648","0.0006","13.2742","0.0008","66.284","0.002","72.713","0.002","85.367","0.002","1257.7","0.12","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H40 N8 O -","- C61 H40 N8 O -","- C61 H40 N8 O -","1","0.5","","Bera, Debasish; Sarkar, Rajib; Dhar, Tiyasa; Saha, Pinaki; Ghosh, Prasanta; Mukhopadhyay, Chhanda","DMSO Promoted Catalyst-free Oxidative C-N/C-O Couplings towards Synthesis of Imidazoles and Oxazoles","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00383G","","","0.71073","MoKα","","0.0817","0.0661","","","0.1827","0.1954","","","","","","0.972","","","","has coordinates","290775","2024-04-04","00:55:21",""
"7159868","10.587","0.004","9.745","0.003","12.647","0.004","90","","114.621","0.011","90","","1186.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Cy-MBT]2","2,2'-dicyclohexyl-3,3'-dimethyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d]thiazole","","- C28 H36 N2 S2 -","- C28 H36 N2 S2 -","- C56 H72 N4 S4 -","2","0.5","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0525","0.0391","","","0.0931","0.1052","","","","","","1.056","","","","has coordinates","290787","2024-04-04","15:31:03",""
"7159869","17.7804","0.0015","9.5679","0.0008","15.6535","0.0011","90","","106.559","0.003","90","","2552.5","0.4","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N2 S2 -","- C30 H28 N2 S2 -","- C120 H112 N8 S8 -","4","0.5","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.1112","0.0545","","","0.1521","0.1994","","","","","","1.145","","","","has coordinates","290787","2024-04-04","15:31:05",""
"7159870","11.2732","0.0007","15.3186","0.0011","26.6578","0.0018","90","","90","","90","","4603.5","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H24 N2 S2 -","- C28 H24 N2 S2 -","- C224 H192 N16 S16 -","8","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0841","0.0456","","","0.1291","0.1749","","","","","","1.133","","","","has coordinates","290787","2024-04-04","15:31:05",""
"7159871","11.5558","0.0007","13.4475","0.0009","16.2668","0.0011","90","","98.667","0.002","90","","2498.9","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N2 S2 -","- C28 H36 N2 S2 -","- C112 H144 N8 S8 -","4","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0998","0.0499","","","0.1351","0.1951","","","","","","1.134","","","","has coordinates","290787","2024-04-04","15:31:05",""
"7159872","11.0557","0.0011","11.7243","0.0012","13.4222","0.0014","99.778","0.003","108.497","0.003","113.542","0.003","1421.9","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 N4 S2 -","- C32 H34 N4 S2 -","- C64 H68 N8 S4 -","2","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.1299","0.0597","","","0.1479","0.2129","","","","","","1.029","","","","has coordinates","290787","2024-04-04","15:31:05",""
"7159873","8.3117","0.0003","40.3059","0.0011","15.5696","0.0004","90","","90.987","0.001","90","","5215.2","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O2 S2 -","- C30 H28 N2 O2 S2 -","- C240 H224 N16 O16 S16 -","8","2","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0991","0.0484","","","0.1022","0.1304","","","","","","1.045","","","","has coordinates","290787","2024-04-04","15:31:07",""
"7159874","14.936","0.002","7.915","0.0011","20.365","0.003","90","","109.947","0.004","90","","2263.1","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 S2 -","- C28 H24 N2 S2 -","- C112 H96 N8 S8 -","4","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.1691","0.0775","","","0.1883","0.2531","","","","","","1.223","","","","has coordinates","290787","2024-04-04","15:31:15",""
"7159875","16.7536","0.0011","20.1967","0.0013","7.9477","0.0005","90","","90","","90","","2689.2","0.3","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H28 N2 O2 S2 -","- C30 H28 N2 O2 S2 -","- C120 H112 N8 O8 S8 -","4","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0692","0.0385","","","0.0944","0.1223","","","","","","1.091","","","","has coordinates","290787","2024-04-04","15:31:16",""
"7159876","26.1309","0.0017","7.8519","0.0004","12.858","0.0009","90","","112.938","0.002","90","","2429.6","0.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O2 S2 -","- C28 H24 N2 O2 S2 -","- C112 H96 N8 O8 S8 -","4","0.5","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.059","0.0371","","","0.0899","0.1099","","","","","","1.046","","","","has coordinates","290787","2024-04-04","15:31:18",""
"7159877","23.932","0.007","9.723","0.003","12.611","0.004","90","","113.816","0.01","90","","2684.6","1.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 N2 O2 S2 -","- C28 H36 N2 O2 S2 -","- C112 H144 N8 O8 S8 -","4","0.5","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0847","0.0488","","","0.1243","0.1584","","","","","","1.081","","","","has coordinates","290787","2024-04-04","15:31:18",""
"7159878","12.016","0.004","14.397","0.005","15.879","0.006","72.225","0.009","77.082","0.011","88.777","0.01","2546.4","1.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 S2 -","- C30 H28 N2 S2 -","- C120 H112 N8 S8 -","4","2","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0843","0.0497","","","0.1484","0.1882","","","","","","1.253","","","","has coordinates","290787","2024-04-04","15:31:18",""
"7159879","7.1212","0.0001","12.502","0.0001","12.8247","0.0001","90","","95.551","0.001","90","","1136.42","0.02","160","0.1","160","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 O2 -","- C17 H10 O2 -","- C68 H40 O8 -","4","1","","Manikandan, Balasubramaniyam; Thamotharan, Subbiah; Blacque, Olivier; Selva Ganesan, Subramaniapillai","Deconstructive annulation mediated one-pot synthesis of xanthene derivatives.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob00093e","","x-ray","1.54184","CuKα","","0.0363","0.0339","","","0.1013","0.1034","","","","","","1.097","","","","has coordinates","291076","2024-04-05","00:44:27",""
"7159880","10.0374","0.0001","12.7461","0.0001","15.5693","0.0002","90","","93.567","0.001","90","","1988.04","0.04","160","0.1","160","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O3 -","- C26 H24 O3 -","- C104 H96 O12 -","4","1","","Manikandan, Balasubramaniyam; Thamotharan, Subbiah; Blacque, Olivier; Selva Ganesan, Subramaniapillai","Deconstructive annulation mediated one-pot synthesis of xanthene derivatives.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob00093e","","x-ray","1.54184","CuKα","","0.0357","0.034","","","0.0845","0.0859","","","","","","1.056","","","","has coordinates","291076","2024-04-05","00:44:27",""
"7159881","14.0054","0.0011","13.9608","0.0011","7.3675","0.0006","90","","97.698","0.002","90","","1427.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 S -","- C17 H13 N O2 S -","- C68 H52 N4 O8 S4 -","4","1","","Sadashiva, Maralinganadoddi P.; Kalleshappa, Sheela; Chikkappaiahnayaka, Santhosh; Singh K, Ravi; Kalleshappa, Sharath","An Efficient Synthesis of Mono-, Di-, and Tri-substituted 1,3-Thiazoles Employing Functionalized Thioamides as Thiocarbonyl Precursors","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00229F","","","0.71073","MoKα","","0.0776","0.065","","","0.1363","0.142","","","","","","1.134","","","","has coordinates","291077","2024-04-05","00:44:42",""
"7159882","12.3903","0.0001","32.0048","0.0002","10.893","0.0001","90","","103.329","0.001","90","","4203.25","0.06","190","","190","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H29 B Br2 Cl3 N O6 -","- C49 H29 B Br2 Cl3 N O6 -","- C196 H116 B4 Br8 Cl12 N4 O24 -","4","1","","Tsutsui, Yuya; Yanaka, Issei; Takeda, Kazuhiro; Kondo, Masaru; Takizawa, Shinobu; Kojima, Ryosuke; Konishi, Akihito; Yasuda, Makoto","Selective Recognition between Aromatics and Aliphatics by Cage-Shaped Borates Supported by Machine Learning Approach","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00408F","","x-ray","1.54184","CuKα","","0.0361","0.0334","","","0.0917","0.0939","","","","","","1.053","","","","has coordinates,has disorder","291130","2024-04-06","00:57:39",""
"7159883","14.3033","0.0002","16.7148","0.0002","20.3372","0.0002","87.393","0.001","77.102","0.001","80.178","0.001","4669.87","0.1","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H38 B Cl2 N O6 -","- C61 H38 B Cl2 N O6 -","- C244 H152 B4 Cl8 N4 O24 -","4","2","","Tsutsui, Yuya; Yanaka, Issei; Takeda, Kazuhiro; Kondo, Masaru; Takizawa, Shinobu; Kojima, Ryosuke; Konishi, Akihito; Yasuda, Makoto","Selective Recognition between Aromatics and Aliphatics by Cage-Shaped Borates Supported by Machine Learning Approach","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00408F","","x-ray","1.54184","CuKα","","0.0644","0.0576","","","0.1614","0.1683","","","","","","1.037","","","","has coordinates,has disorder","291130","2024-04-06","00:57:40",""
"7159884","11.45","0.02","8.899","0.016","17.03","0.03","90","","101.8","0.03","90","","1699","5","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 S -","- C19 H16 N2 O3 S -","- C76 H64 N8 O12 S4 -","4","1","","He, Xinwei; Wu, Yinsong; Shi, Guanghao; Liu, Yanan; Kong, Yangzilin; Wu, Mengdi; Wang, Demao; Wu, Xiaobing; Shang, Yongjia","Rhodium-catalyzed cascade c-h activation/annulation strategy for expeditious assembly of pyrrolidinedione-fused 1,2-benzothiazines","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00193A","","x-ray","0.71073","MoKα","","0.0505","0.0391","","","0.1077","0.116","","","","","","1.053","","","","has coordinates","291131","2024-04-06","00:57:53",""
"7159885","13.0408","0.0008","7.8341","0.0005","11.5786","0.0008","90","","95.948","0.006","90","","1176.54","0.13","295.64","0.1","295.64","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O2 S -","- C13 H12 O2 S -","- C52 H48 O8 S4 -","4","1","","Zhang, Yixin; Yang, Zhu; Yang, Hongjun; Li, Xuefeng; Yang, Lu","Generation of Sulfones utilizing β-Sulfinyl Esters as Masked Aryl Sulfinates under Redox-neutral Conditions","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00238E","","x-ray","1.54184","CuKα","","0.105","0.0981","","","0.2493","0.2639","","","","","","1.945","","","","has coordinates","291132","2024-04-06","00:58:05",""
"7159886","8.99824","0.00007","13.13119","0.00009","17.7977","0.00013","90","","90","","90","","2102.93","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N4 O3 -","- C23 H24 N4 O3 -","- C92 H96 N16 O12 -","4","1","","Gao, Siyu; Sun, Xiang; Peng, Sijie; Zha, Zhenggen; Sun, Qi; Wang, Zhiyong","Copper-Catalyzed Asymmetric Friedel-Crafts Hydroxyalkylation of Pyrazole-4,5-diones with 5-Aminoisoxazoles","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00322E","","x-ray","1.54184","CuKα","","0.0439","0.0434","","","0.1143","0.1151","","","","","","1.079","","","","has coordinates","291154","2024-04-10","00:46:27",""
"7159887","24.242","0.018","8.394","0.004","17.127","0.012","90","","99.39","0.04","90","","3438","4","292","2","292","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 O2 P -","- C21 H19 O2 P -","- C168 H152 O16 P8 -","8","1","","Ma, Jiangkai; Wang, Lianjie; Qiao, Anjiang; Li, Zhongxian; Zhao, Fengqian; Wu, Junliang","Synthesis of Alkenylphosphine Oxides via Tf2O Promoted Addition-Elimination of Ketones and Secondary Phosphine Oxides","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00318G","","","0.71073","MoKα","","0.0579","0.0403","","","0.0995","0.1081","","","","","","1.067","","","","has coordinates","291155","2024-04-10","00:46:46",""
"7159888","7.3799","0.0001","13.7636","0.0003","11.7474","0.0002","90","","91.648","0.001","90","","1192.74","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C60 H40 Cl4 N4 O4 -","4","1","","Lukoyanov, Alexander A.; Aksenova, Svetlana; Tabolin, Andrey; Sukhorukov, Alexey Yu.","3-Halo-5,6-dihydro-4H-1,2-oxazine N-oxides as synthetic equivalents of unsaturated nitrile oxides in the [3+2]-cycloaddition with arynes. Synthesis of substituted 3-vinyl-1,2-benzisoxazoles","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00391H","","","0.71073","MoKα","","0.0334","0.0314","","","0.0796","0.0815","","","","","","1.038","","","","has coordinates","291170","2024-04-11","00:52:21",""
"7159889","8.15719","0.00007","16.7171","0.00015","12.13404","0.00008","90","","92.339","0.0007","90","","1653.27","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","","Lukoyanov, Alexander A.; Aksenova, Svetlana; Tabolin, Andrey; Sukhorukov, Alexey Yu.","3-Halo-5,6-dihydro-4H-1,2-oxazine N-oxides as synthetic equivalents of unsaturated nitrile oxides in the [3+2]-cycloaddition with arynes. Synthesis of substituted 3-vinyl-1,2-benzisoxazoles","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00391H","","x-ray","1.54184","CuKα","","0.034","0.0337","","","0.0908","0.091","","","","","","1.097","","","","has coordinates","291170","2024-04-11","00:52:21",""
"7159890","6.0794","0.0002","13.0587","0.0004","17.7262","0.0006","90","","90","","90","","1407.27","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Nanda, Samik; Barik, Rasmita","Asymmetric total synthesis of humulane sesquiterpenoids alashanoids B, C, E, F and 2,9-humuladien-6-ol-8-one","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00393D","","x-ray","0.71073","MoKα","","0.0553","0.0463","","","0.0543","0.0552","","","","2.68","2.68","2.51","","","","has coordinates","291171","2024-04-11","00:52:41",""
"7159891","9.7763","0.0012","14.2275","0.0014","12.0706","0.0016","90","","107.436","0.014","90","","1601.8","0.4","297.6","0.6","297.6","0.6","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","2","","Nanda, Samik; Barik, Rasmita","Asymmetric total synthesis of humulane sesquiterpenoids alashanoids B, C, E, F and 2,9-humuladien-6-ol-8-one","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00393D","","x-ray","0.71073","MoKα","","0.4427","0.164","","","0.3375","0.4664","","","","","","0.994","","","","has coordinates","291171","2024-04-11","00:52:41",""
"7159892","13.672","0.0011","11.8313","0.0009","17.7342","0.0012","90","","103.345","0.003","90","","2791.2","0.4","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl N2 O -","- C34 H29 Cl N2 O -","- C136 H116 Cl4 N8 O4 -","4","1","","Keerthana, Pari; Nawaz Khan, Fazlur-Rahman","Copper catalyzed dehydrogenative cyclization, alkenylation towards dihydroquinolinones","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00134F","","","0.71073","MoKα","","0.1192","0.0549","","","0.1147","0.1524","","","","","","1.03","","","","has coordinates","291172","2024-04-11","00:52:56",""
"7159893","3.62939","0.00006","17.4327","0.0003","10.06875","0.00017","90","","99.9049","0.0016","90","","627.555","0.019","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6.18 N3 O2.59 -","- C5 H6.1808 N3 O2.5904 -","- C20 H24.7232 N12 O10.3616 -","4","1","","Gerasimova, Tatiana; Zagidullin, Almaz; Nikolaeva, Anastasiya; Fayzullin, Robert R.; Saitova, Alya; Miluykov, Vasily; Grimme, Stefan; Katsyuba, Sergey","Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00404C","","x-ray","1.54184","CuKα","","0.0383","0.0382","","","0.1058","0.1059","","","","","","1.061","","","","has coordinates,has disorder","291173","2024-04-11","00:53:23",""
"7159894","11.6092","0.0005","15.2706","0.0007","15.2983","0.0007","90","","102.064","0.001","90","","2652.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H8 N4 O4 -","- C7 H8 N4 O4 -","- C84 H96 N48 O48 -","12","6","","Gerasimova, Tatiana; Zagidullin, Almaz; Nikolaeva, Anastasiya; Fayzullin, Robert R.; Saitova, Alya; Miluykov, Vasily; Grimme, Stefan; Katsyuba, Sergey","Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00404C","","x-ray","0.71073","MoKα","","0.0677","0.0509","","","0.1269","0.1401","","","","","","1.044","","","","has coordinates","291173","2024-04-11","00:53:25",""
"7159895","8.1404","0.0003","8.4811","0.0004","9.2843","0.0004","86.9918","0.0011","85.9992","0.0011","68.7003","0.001","595.49","0.04","162","2","162","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 K N5 O5 -","- C8 H10 K N5 O5 -","- C16 H20 K2 N10 O10 -","2","1","","Gerasimova, Tatiana; Zagidullin, Almaz; Nikolaeva, Anastasiya; Fayzullin, Robert R.; Saitova, Alya; Miluykov, Vasily; Grimme, Stefan; Katsyuba, Sergey","Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00404C","","x-ray","0.71073","MoKα","","0.0446","0.0315","","","0.075","0.0808","","","","","","1.045","","","","has coordinates","291173","2024-04-11","00:53:25",""
"7159896","13.2329","0.0018","9.328","0.0011","19.219","0.003","90","","102.019","0.005","90","","2320.3","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 N2 -","- C31 H26 N2 -","- C124 H104 N8 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum; Chakraborty, Sayonika","Cu(OTf)2/HFIP Catalyzed Regioselective Cycloisomerization of Indole-C3-functionalized Alkynols to Carbazoles","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00421C","","","0.71073","MoKα","","0.0952","0.0794","","","0.2235","0.2386","","","","","","1.034","","","","has coordinates","291217","2024-04-16","00:58:19",""
"7159897","9.6614","0.0012","12.3016","0.0017","12.4047","0.0016","66.465","0.004","77.764","0.005","82.339","0.005","1319","0.3","298","2","298","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H27 N -","- C37 H27 N -","- C74 H54 N2 -","2","1","","Yaragorla, Srinivasarao; Khan, Tabassum; Chakraborty, Sayonika","Cu(OTf)2/HFIP Catalyzed Regioselective Cycloisomerization of Indole-C3-functionalized Alkynols to Carbazoles","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00421C","","","0.71073","MoKα","","0.1829","0.104","","","0.2546","0.2919","","","","","","0.97","","","","has coordinates","291217","2024-04-16","00:58:19",""
"7159898","10.7077","0.0008","9.2729","0.0007","25.954","0.002","90","","98.298","0.003","90","","2550","0.3","298","2","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 N2 -","- C35 H28 N2 -","- C140 H112 N8 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum; Chakraborty, Sayonika","Cu(OTf)2/HFIP Catalyzed Regioselective Cycloisomerization of Indole-C3-functionalized Alkynols to Carbazoles","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00421C","","","0.71073","MoKα","","0.0667","0.0514","","","0.1382","0.1462","","","","","","1.064","","","","has coordinates","291217","2024-04-16","00:58:20",""
"7159899","3.7249","0.0002","9.6327","0.0004","12.9466","0.0005","90","","92.843","0.003","90","","463.96","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-hydroxyphenazin-2(10H)-one","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C24 H16 N4 O4 -","2","1","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00387J","","x-ray","0.71073","MoKα","","0.0384","0.0349","","","0.0981","0.0999","","","","","","1.11","","","","has coordinates","291218","2024-04-16","00:58:45",""
"7159900","3.7817","0.0002","9.718","0.0006","12.9407","0.0006","90","","92.15","0.005","90","","475.24","0.04","299.5","0.18","299.5","0.18","","","","","","","","4","P 1 21 1","P 2yb","4","","3-hydroxyphenazin-2(10H)-one","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C24 H16 N4 O4 -","2","1","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00387J","","x-ray","0.71073","MoKα","","0.0688","0.0466","","","0.1192","0.1294","","","","","","1.043","","","","has coordinates","291218","2024-04-16","00:58:46",""
"7159901","23.4299","0.0013","4.904","0.0002","23.6545","0.0014","90","","115.944","0.007","90","","2444","0.3","299.68","0.16","299.68","0.16","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(methoxymethoxy)phenazin-2-ol","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","2","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00387J","","x-ray","0.71073","MoKα","","0.1106","0.049","","","0.1105","0.1313","","","","","","1.003","","","","has coordinates","291218","2024-04-16","00:58:46",""
"7159902","23.2329","0.001","4.8344","0.0002","23.5477","0.0011","90","","116.157","0.006","90","","2374","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(methoxymethoxy)phenazin-2-ol","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","2","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00387J","","x-ray","0.71073","MoKα","","0.061","0.0425","","","0.1011","0.1078","","","","","","1.061","","","","has coordinates","291218","2024-04-16","00:58:46",""
"7159903","11.812","0.002","15.31","0.003","11.343","0.002","90","","112.195","0.005","90","","1899.3","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br Cl2 N O2 S -","- C18 H18 Br Cl2 N O2 S -","- C72 H72 Br4 Cl8 N4 O8 S4 -","4","1","","Saikia, Anil Kumar; Bora, Surjya Kumar; Biswas, Subhamoy; Behera, Bipin Kumar","Stereoselective Synthesis of gem-Dihalopiperidines via Halo-Aza-Prins Cyclization Reaction: Access to Piperidin-4-ones and Pyridines","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00338A","","","0.71073","MoKα","","0.0746","0.0596","","","0.1888","0.207","","","","","","1.071","","","","has coordinates","291243","2024-04-17","00:56:36",""
"7159904","25.82","0.0006","6.09696","0.00014","12.748","0.0003","90","","94.7721","0.0017","90","","1999.88","0.08","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C88 H80 N16 O16 -","8","1","","Arai, Shigeru; Nakazawa, Koichi; Yang, Xiao-Fei; Nakajima, Masaya; Harada, Shinji; Nishida, Atsushi","Nickel-catalysed Regio- and Stereoselective Hydrocyanation of Alkynoates and Its Mechanistic Insights Proposed by DFT Calculations","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00380B","","","1.54187","CuKα","","","0.0425","","","","0.1085","","","","","","1.027","","","","has coordinates","291244","2024-04-17","00:57:16",""
"7159905","16.591","0.01","7.19","0.004","15.695","0.009","90","","93.373","0.017","90","","1869","1.9","297","2","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 Cl O2 -","- C25 H15 Cl O2 -","- C100 H60 Cl4 O8 -","4","1","","Jaiswal, Gaurav; Pan, Subhas Chandra","BBr3-Mediated Dearomatizative Spirocyclization of Biaryl Ynones: Facile Access to Spiro[5.5]dienones","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00274A","","","0.71073","MoKα","","0.0576","0.0432","","","0.091","0.1019","","","","","","1.05","","","","has coordinates","291245","2024-04-17","00:57:55",""
"7159906","9.459","0.004","18.5","0.007","11.372","0.004","90","","114.575","0.012","90","","1809.7","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,6-diphenyl-3-(p-tolyl)-2H-pyran-2-one","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Nguyen, Cao Nguyen; Nguyen, Duc Toan; Tran, Ha An; Mac, Hung Dinh; Nguyen, Thi Thu Tram; Retailleau, Pascal; Nguyen, Thanh Binh","Base- and Sulfur- Promoted Oxidative Lactonization of Chalcone-Acetate Michael Adducts: Access to Pyran-2-ones","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00479E","","","1.54187","CuKα","","0.0944","0.064","","","0.1492","0.1895","","","","","","1.023","","","","has coordinates","291283","2024-04-19","03:02:05",""
"7159907","4.788","0.0012","10.509","0.003","16.019","0.004","90.169","0.003","91.422","0.003","90.026","0.003","805.8","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 F3 N2 O S -","- C18 H13 F3 N2 O S -","- C36 H26 F6 N4 O2 S2 -","2","1","","Wang, Si-Yu; Liu, Chu; Yang, Wei; Tian, Zhong-Ying; Yuan, Lin; Xie, Long-Yong","Efficient Synthesis of SCF3-Containing 3-Alkenylquinoxalinones via Three-Component Radical Cascade Reaction","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00363B","","","0.71073","MoKα","","0.0582","0.0449","","","0.1232","0.134","","","","","","1.052","","","","has coordinates","291284","2024-04-19","03:02:37",""
"7159908","7.965","0.003","12.839","0.004","18.595","0.006","90","","90","","90","","1901.6","1.1","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 O6 -","- C25 H16 O6 -","- C100 H64 O24 -","4","1","","Neto, Brenno A. D.; Beck, Pedro; Leitão, Arthur; Santana, Yasmin; Correa, Jose R.; Rodrigues, Carime Vitória da Silva; Machado, Daniel; Matos, Guilherme; Machado Ramos, Luciana; Gatto, Claudia Cristina; Z. Andrade, Carlos Kleber; Caldas, Sarah","Revisiting Biginelli-like Reactions: Solvent Effects, Mechanisms, Biological Applications and Correction of Several Literature Reports","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00272E","","","0.71073","MoKα","","0.0865","0.0441","","","0.0894","0.1036","","","","","","0.884","","","","has coordinates","291285","2024-04-19","03:03:02",""
"7159909","13.7999","0.0004","15.4016","0.0004","27.5518","0.0008","87.085","0.002","81.887","0.002","82.628","0.002","5746.1","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C124 H108 Br4 N8 O16 S8 -","- C124 H108 Br4 N8 O16 S8 -","- C248 H216 Br8 N16 O32 S16 -","2","1","","Volla, Chandra; Khan, Salman; Chatterjee, Abhradeep; Nair, Akshay Murali","A Highly Diastereoselective One-Pot Ugi/Radical Spirocyclization/Aza-Michael Addition Sequence","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00610K","","x-ray","0.71073","MoKα","","0.1215","0.0811","","","0.212","0.2553","","","","","","1.037","","","","has coordinates","291328","2024-04-23","01:11:00",""
"7159910","13.093","0.0001","19.0071","0.0002","8.6034","0.0001","90","","104.253","0.001","90","","2075.14","0.04","301.54","0.1","301.54","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F2 N O3 S2 -","- C23 H17 F2 N O3 S2 -","- C92 H68 F8 N4 O12 S8 -","4","1","","Li, Xuemin; Shi, Haofeng; He, Jiaxin; Wu, Jialiang; Sun, Fengxia; Du, Yunfei","Synthesis of Deuteriodifluoromethylthiolated Isocoumarins-1- imines and Isocoumarins Enabled by Multi-Component Reagents System (MCRS)","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00328D","","x-ray","1.54184","CuKα","","0.077","0.0722","","","0.2244","0.2296","","","","","","1.09","","","","has coordinates","291329","2024-04-23","01:11:24",""
"7159911","9.56","0.0008","17.5287","0.0018","9.6337","0.001","90","","100.077","0.002","90","","1589.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Amino-benzoic acid 2-chloro-6-methyl-quinolin-3-ylmethyl ester","2-Amino-benzoic acid 2-chloro-6-methyl-quinolin-3-ylmethyl ester","","- C18 H15 Cl N2 O2 -","- C18 H15 Cl N2 O2 -","- C72 H60 Cl4 N8 O8 -","4","1","","Siddique, Sidra; Hussain, Khalid; Shehzadi, Naureen; Arshad, Muhammad; Arshad, Muhammad Nadeem; Iftikhar, Sadaf; Saghir, Farhat; Shaukat, Ayisha; Sarfraz, Muhammad; Ahmed, Nisar","Design, synthesis, biological evaluation and molecular docking studies of quinoline-anthranilic acid hybrids as potent anti-inflammatory drugs.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob00040d","","","0.71073","MoKα","","0.1448","0.0727","","","0.1909","0.235","","","","","","1.074","","","","has coordinates","291330","2024-04-23","01:12:08",""
"7159912","10.5689","0.0015","10.5689","0.0015","8.3975","0.0017","90","","90","","120","","812.3","0.2","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C9 H18 B N -","- C9 H18 B N -","- C27 H54 B3 N3 -","3","0.333333","","Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai","New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00291A","","","0.9699","synchrotron","","0.1009","0.0721","","","0.161","0.1861","","","","","","0.871","","","","has coordinates","291331","2024-04-23","01:13:18",""
"7159913","8.6952","0.0002","10.1193","0.0002","17.1397","0.0004","90","","90","","90","","1508.11","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 B N2 -","- C15 H27 B N2 -","- C60 H108 B4 N8 -","4","1","","Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai","New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00291A","","","0.71073","MoKα","","0.0557","0.0485","","","0.1193","0.124","","","","","","1.045","","","","has coordinates,has disorder","291331","2024-04-23","01:13:20",""
"7159914","10.7916","0.0004","6.2242","0.0002","11.7768","0.0004","90","","108.897","0.002","90","","748.4","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 N2 O S -","- C14 H22 N2 O S -","- C28 H44 N4 O2 S2 -","2","1","","Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai","New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00291A","","","0.71073","MoKα","","0.0347","0.0316","","","0.075","0.0767","","","","","","1.039","","","","has coordinates","291331","2024-04-23","01:13:29",""
"7159915","22.02359","0.00016","9.06591","0.00006","18.14329","0.0001","90","","90","","90","","3622.56","0.04","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H40 B Cu F2 O2 P2 -","- C40 H40 B Cu F2 O2 P2 -","- C160 H160 B4 Cu4 F8 O8 P8 -","4","1","","Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai","New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00291A","","","1.54184","CuKα","","0.0278","0.0275","","","0.0738","0.0741","","","","","","1.032","","","","has coordinates","291331","2024-04-23","01:13:30",""
"7159916","14.0344","0.0003","18.8088","0.0003","18.9839","0.0004","90","","90.5447","0.0019","90","","5010.96","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 B Cu F4 P4 -","- C52 H48 B Cu F4 P4 -","- C208 H192 B4 Cu4 F16 P16 -","4","1","","Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai","New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00291A","","","1.54184","CuKα","","0.1466","0.1164","","","0.2282","0.247","","","","","","1.031","","","","has coordinates","291331","2024-04-23","01:13:30",""
"7200926","7.7372","0.0009","7.0418","0.0009","13.8744","0.0017","90","","95.18","0.01","90","","752.84","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-(trifluoromethyl)-3-pyridylboronic acid","6-(trifluoromethyl)-3-pyridylboronic acid","","- C6 H5 B F3 N O2 -","- C6 H5 B F3 N O2 -","- C24 H20 B4 F12 N4 O8 -","4","1","","Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian","Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki‒Miyaura cross-coupling reactions","Organic & Biomolecular Chemistry","2009","7","10","2155","2161","10.1039/b901024f","","","0.71073","MoKα","","0.0493","0.0384","","","0.0956","0.1015","","","","","","1.062","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200927","12.1172","0.0013","16.9563","0.0018","9.5326","0.001","90","","113.12","0.02","90","","1801.3","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-(Trifluoromethyl)-1-(4-methoxyphenyl)-5-(4,4,5,5- tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole","3-(Trifluoromethyl)-1-(4-methoxyphenyl)-5-(4,4,5,5- tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole","","- C17 H20 B F3 N2 O3 -","- C17 H20 B F3 N2 O3 -","- C68 H80 B4 F12 N8 O12 -","4","1","","Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian","Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki‒Miyaura cross-coupling reactions","Organic & Biomolecular Chemistry","2009","7","10","2155","2161","10.1039/b901024f","","","0.71073","MoKα","","0.0545","0.0407","","","0.1038","0.1144","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200928","5.8768","0.0008","8.4512","0.0012","15.156","0.002","83.57","0.02","82.56","0.03","85.02","0.03","739.71","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","5-(3-(trifluoromethyl)-1-phenyl-1H-pyrazol-5-yl)-3- nitropyridin-2-amine","5-{3-(trifluoromethyl)-1-phenyl-1H-pyrazol-5-yl}- 3-nitropyridin-2-amine","","- C15 H10 F3 N5 O2 -","- C15 H10 F3 N5 O2 -","- C30 H20 F6 N10 O4 -","2","1","","Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian","Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki‒Miyaura cross-coupling reactions","Organic & Biomolecular Chemistry","2009","7","10","2155","2161","10.1039/b901024f","","","0.71073","MoKα","","0.0432","0.0342","","","0.0893","0.094","","","","","","1.028","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200929","8.3449","0.0004","17.3757","0.0006","12.7303","0.0005","90","","94.65","0.01","90","","1839.8","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(3-(trifluoromethyl)-4-(6-methoxypyridin-3-yl)-1-phenyl-1H- pyrazol-5-yl)pyridine","2-{3-(trifluoromethyl)-4-(6-methoxypyridin-3-yl)-1-phenyl-1H- pyrazol-5-yl)pyridine","","- C21 H15 F3 N4 O -","- C21 H15 F3 N4 O -","- C84 H60 F12 N16 O4 -","4","1","","Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian","Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki‒Miyaura cross-coupling reactions","Organic & Biomolecular Chemistry","2009","7","10","2155","2161","10.1039/b901024f","","","0.71073","MoKα","","0.0404","0.0359","","","0.0969","0.1007","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200930","24.08","0.004","7.8042","0.0012","9.3848","0.0014","90","","96.42","0.03","90","","1752.6","0.5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2-chloro-5-(trifluoromethyl)-4-pyridylboronic acid","2-chloro-5-(trifluoromethyl)-4-pyridylboronic acid","","- C6 H4 B Cl F3 N O2 -","- C6 H4 B Cl F3 N O2 -","- C48 H32 B8 Cl8 F24 N8 O16 -","8","1","","Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian","Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki‒Miyaura cross-coupling reactions","Organic & Biomolecular Chemistry","2009","7","10","2155","2161","10.1039/b901024f","","","0.71073","MoKα","","0.0324","0.0261","","","0.07","0.0728","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""